smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000364348088 784977560 /nfs/dbraw/zinc/97/75/60/784977560.db2.gz QDVKIWPZJVQKBA-HYVNUMGLSA-N 2 1 364.446 1.236 20 5 FDBDMP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420337727 813608655 /nfs/dbraw/zinc/60/86/55/813608655.db2.gz KADVFESFJOCQPC-KBPBESRZSA-N 2 1 362.430 1.863 20 5 FDBDMP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420337727 813608658 /nfs/dbraw/zinc/60/86/58/813608658.db2.gz KADVFESFJOCQPC-KBPBESRZSA-N 2 1 362.430 1.863 20 5 FDBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420337906 813609602 /nfs/dbraw/zinc/60/96/02/813609602.db2.gz XJQAQKSZSPIFPY-JLZZUVOBSA-N 2 1 362.430 1.750 20 5 FDBDMP CCO[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C[NH+](C)C ZINC000896876730 825450320 /nfs/dbraw/zinc/45/03/20/825450320.db2.gz GABPAAFNRRTYAB-INIZCTEOSA-N 2 1 351.451 1.515 20 5 FDBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184135441 536102497 /nfs/dbraw/zinc/10/24/97/536102497.db2.gz YOXLEWVVFVBCFY-CYBMUJFWSA-N 2 1 364.450 1.060 20 5 FDBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000263708544 537074458 /nfs/dbraw/zinc/07/44/58/537074458.db2.gz QAPRFRFJRQBORR-CYBMUJFWSA-N 2 1 352.439 1.114 20 5 FDBDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000263708544 537074460 /nfs/dbraw/zinc/07/44/60/537074460.db2.gz QAPRFRFJRQBORR-CYBMUJFWSA-N 2 1 352.439 1.114 20 5 FDBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000263708544 537074463 /nfs/dbraw/zinc/07/44/63/537074463.db2.gz QAPRFRFJRQBORR-CYBMUJFWSA-N 2 1 352.439 1.114 20 5 FDBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000245427484 537657647 /nfs/dbraw/zinc/65/76/47/537657647.db2.gz MBEOQDAIQRWFKC-KYJSFNMBSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000245427484 537657653 /nfs/dbraw/zinc/65/76/53/537657653.db2.gz MBEOQDAIQRWFKC-KYJSFNMBSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000245427484 537657657 /nfs/dbraw/zinc/65/76/57/537657657.db2.gz MBEOQDAIQRWFKC-KYJSFNMBSA-N 2 1 351.447 1.997 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000372588305 537980324 /nfs/dbraw/zinc/98/03/24/537980324.db2.gz XAPFXZVDBGPZFA-WBVHZDCISA-N 2 1 351.451 1.350 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000372588305 537980332 /nfs/dbraw/zinc/98/03/32/537980332.db2.gz XAPFXZVDBGPZFA-WBVHZDCISA-N 2 1 351.451 1.350 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344150 538270459 /nfs/dbraw/zinc/27/04/59/538270459.db2.gz SEXROICFJTWMIE-OKILXGFUSA-N 2 1 360.414 1.824 20 5 FDBDMP [NH3+]CCCOC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000592428601 551994265 /nfs/dbraw/zinc/99/42/65/551994265.db2.gz FCRWZSFXVXYJSK-UHFFFAOYSA-N 2 1 351.403 1.696 20 5 FDBDMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000595906283 552631732 /nfs/dbraw/zinc/63/17/32/552631732.db2.gz IUDGIFRMQKTGGR-HOTGVXAUSA-N 2 1 367.446 1.377 20 5 FDBDMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000595906283 552631733 /nfs/dbraw/zinc/63/17/33/552631733.db2.gz IUDGIFRMQKTGGR-HOTGVXAUSA-N 2 1 367.446 1.377 20 5 FDBDMP Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[N@H+](C)CCC[NH+](C)C ZINC000601194324 553358194 /nfs/dbraw/zinc/35/81/94/553358194.db2.gz YXEFFJUDPDMTQB-UHFFFAOYSA-N 2 1 352.361 1.643 20 5 FDBDMP Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[N@@H+](C)CCC[NH+](C)C ZINC000601194324 553358195 /nfs/dbraw/zinc/35/81/95/553358195.db2.gz YXEFFJUDPDMTQB-UHFFFAOYSA-N 2 1 352.361 1.643 20 5 FDBDMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430633243 681088025 /nfs/dbraw/zinc/08/80/25/681088025.db2.gz BQUDTDBNZXLYJR-ZDUSSCGKSA-N 2 1 350.419 1.863 20 5 FDBDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000436059336 681660674 /nfs/dbraw/zinc/66/06/74/681660674.db2.gz ATMXSXXUQBGTLY-OAHLLOKOSA-N 2 1 350.419 1.293 20 5 FDBDMP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443065979 682226125 /nfs/dbraw/zinc/22/61/25/682226125.db2.gz DCGAAKZBEOOREC-QWHCGFSZSA-N 2 1 350.419 1.991 20 5 FDBDMP C[N@H+]1CCC[C@H](CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000574072283 694912115 /nfs/dbraw/zinc/91/21/15/694912115.db2.gz UAKPERSOAUFPKA-CQSZACIVSA-N 2 1 355.460 1.690 20 5 FDBDMP COc1cc(C)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164683030 719619188 /nfs/dbraw/zinc/61/91/88/719619188.db2.gz QKTXNKLRADEUCW-UHFFFAOYSA-N 2 1 374.445 1.978 20 5 FDBDMP COc1cc(C)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164683030 719619191 /nfs/dbraw/zinc/61/91/91/719619191.db2.gz QKTXNKLRADEUCW-UHFFFAOYSA-N 2 1 374.445 1.978 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000475712219 831871479 /nfs/dbraw/zinc/87/14/79/831871479.db2.gz AGOZPVCKNZMFCR-UHFFFAOYSA-N 2 1 365.430 1.920 20 5 FDBDMP CN(CC(=O)N1CCNCC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000470011433 879370733 /nfs/dbraw/zinc/37/07/33/879370733.db2.gz KVGOYJRMGBCSPU-UHFFFAOYSA-N 2 1 358.398 1.718 20 5 FDBDMP COCCN1CCOC[C@]2(CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169022795 928246126 /nfs/dbraw/zinc/24/61/26/928246126.db2.gz SRKYAVAVSQTFOO-OKZBNKHCSA-N 2 1 355.479 1.493 20 5 FDBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000372275663 990992007 /nfs/dbraw/zinc/99/20/07/990992007.db2.gz XEVUTOIOPJUQDR-UHFFFAOYSA-N 2 1 362.474 1.477 20 5 FDBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000372275663 990992012 /nfs/dbraw/zinc/99/20/12/990992012.db2.gz XEVUTOIOPJUQDR-UHFFFAOYSA-N 2 1 362.474 1.477 20 5 FDBDMP C[N@@H+]1CC[C@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000879578033 995036130 /nfs/dbraw/zinc/03/61/30/995036130.db2.gz POTUDCDSJWDCRW-ZFWWWQNUSA-N 2 1 360.414 1.919 20 5 FDBDMP C[N@H+]1CC[C@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000879578033 995036140 /nfs/dbraw/zinc/03/61/40/995036140.db2.gz POTUDCDSJWDCRW-ZFWWWQNUSA-N 2 1 360.414 1.919 20 5 FDBDMP C[NH+]1CC[C@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000879578033 995036154 /nfs/dbraw/zinc/03/61/54/995036154.db2.gz POTUDCDSJWDCRW-ZFWWWQNUSA-N 2 1 360.414 1.919 20 5 FDBDMP C[NH+]1CC[C@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000879578033 995036166 /nfs/dbraw/zinc/03/61/66/995036166.db2.gz POTUDCDSJWDCRW-ZFWWWQNUSA-N 2 1 360.414 1.919 20 5 FDBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190784263 178022880 /nfs/dbraw/zinc/02/28/80/178022880.db2.gz PARYFWXMAXGWBG-OAHLLOKOSA-N 2 1 363.462 1.665 20 5 FDBDMP C[C@H]1C[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000178001120 174167283 /nfs/dbraw/zinc/16/72/83/174167283.db2.gz OEEPRXLAJBGUBX-QWHCGFSZSA-N 2 1 368.459 1.088 20 5 FDBDMP C[C@H]1C[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000178001120 174167287 /nfs/dbraw/zinc/16/72/87/174167287.db2.gz OEEPRXLAJBGUBX-QWHCGFSZSA-N 2 1 368.459 1.088 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368351400 260170739 /nfs/dbraw/zinc/17/07/39/260170739.db2.gz GAHRPCPCATYTLX-GOSISDBHSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368351400 260170741 /nfs/dbraw/zinc/17/07/41/260170741.db2.gz GAHRPCPCATYTLX-GOSISDBHSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368351400 260170742 /nfs/dbraw/zinc/17/07/42/260170742.db2.gz GAHRPCPCATYTLX-GOSISDBHSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373795336 261041482 /nfs/dbraw/zinc/04/14/82/261041482.db2.gz NGOGMKZRBPHTLP-CYBMUJFWSA-N 2 1 362.430 1.502 20 5 FDBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000101518424 525223122 /nfs/dbraw/zinc/22/31/22/525223122.db2.gz DAOVUHSMXJWDTK-AWEZNQCLSA-N 2 1 366.466 1.125 20 5 FDBDMP COc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000282266689 537294133 /nfs/dbraw/zinc/29/41/33/537294133.db2.gz HLDXJOSMOQAZJI-UHFFFAOYSA-N 2 1 366.462 1.728 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000372588279 537980378 /nfs/dbraw/zinc/98/03/78/537980378.db2.gz XAPFXZVDBGPZFA-DOTOQJQBSA-N 2 1 351.451 1.350 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000372588279 537980386 /nfs/dbraw/zinc/98/03/86/537980386.db2.gz XAPFXZVDBGPZFA-DOTOQJQBSA-N 2 1 351.451 1.350 20 5 FDBDMP CC(C)[NH+]1CCC(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000441046461 538303039 /nfs/dbraw/zinc/30/30/39/538303039.db2.gz ATOFPZIWUDDBOU-UHFFFAOYSA-N 2 1 350.467 1.282 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000474344851 538835010 /nfs/dbraw/zinc/83/50/10/538835010.db2.gz MDJSBRMHBHMFQA-HUUCEWRRSA-N 2 1 363.414 1.863 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000474344851 538835013 /nfs/dbraw/zinc/83/50/13/538835013.db2.gz MDJSBRMHBHMFQA-HUUCEWRRSA-N 2 1 363.414 1.863 20 5 FDBDMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000573556733 550163713 /nfs/dbraw/zinc/16/37/13/550163713.db2.gz AHKCYLLESVBCHK-INIZCTEOSA-N 2 1 353.419 1.035 20 5 FDBDMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489192 552000950 /nfs/dbraw/zinc/00/09/50/552000950.db2.gz SKXPKQPFPUPUGF-JSGCOSHPSA-N 2 1 350.419 1.991 20 5 FDBDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595364548 552537590 /nfs/dbraw/zinc/53/75/90/552537590.db2.gz GSBRLLVXJQFYTH-UHFFFAOYSA-N 2 1 352.410 1.624 20 5 FDBDMP CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000596127348 552658422 /nfs/dbraw/zinc/65/84/22/552658422.db2.gz WXHOQTOEHIRPIW-OAHLLOKOSA-N 2 1 361.446 1.298 20 5 FDBDMP CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000596127348 552658423 /nfs/dbraw/zinc/65/84/23/552658423.db2.gz WXHOQTOEHIRPIW-OAHLLOKOSA-N 2 1 361.446 1.298 20 5 FDBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602479841 553590364 /nfs/dbraw/zinc/59/03/64/553590364.db2.gz QKDNFZDSDQWZCX-UHFFFAOYSA-N 2 1 353.467 1.899 20 5 FDBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000602891694 553662589 /nfs/dbraw/zinc/66/25/89/553662589.db2.gz NRKKQDGCOIHCIQ-SFHVURJKSA-N 2 1 364.446 1.620 20 5 FDBDMP Cc1c(NC(=O)CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000602891694 553662591 /nfs/dbraw/zinc/66/25/91/553662591.db2.gz NRKKQDGCOIHCIQ-SFHVURJKSA-N 2 1 364.446 1.620 20 5 FDBDMP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430952546 681101392 /nfs/dbraw/zinc/10/13/92/681101392.db2.gz QBVMFRVWKNWKCX-VXGBXAGGSA-N 2 1 350.419 1.990 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430964408 681101910 /nfs/dbraw/zinc/10/19/10/681101910.db2.gz DZFLFHRZEMERQL-NWDGAFQWSA-N 2 1 350.419 1.990 20 5 FDBDMP Cc1c(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000261864081 774525166 /nfs/dbraw/zinc/52/51/66/774525166.db2.gz NLVPXLNHDBAJJZ-NVXWUHKLSA-N 2 1 360.458 1.983 20 5 FDBDMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000261866320 775626774 /nfs/dbraw/zinc/62/67/74/775626774.db2.gz NPXALMNWIMHHTA-CJNGLKHVSA-N 2 1 364.421 1.814 20 5 FDBDMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000261866320 775626810 /nfs/dbraw/zinc/62/68/10/775626810.db2.gz NPXALMNWIMHHTA-CJNGLKHVSA-N 2 1 364.421 1.814 20 5 FDBDMP C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000378314411 793944060 /nfs/dbraw/zinc/94/40/60/793944060.db2.gz PPYXUOUFLRGZTB-UHFFFAOYSA-N 2 1 364.446 1.332 20 5 FDBDMP C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000378314411 793944067 /nfs/dbraw/zinc/94/40/67/793944067.db2.gz PPYXUOUFLRGZTB-UHFFFAOYSA-N 2 1 364.446 1.332 20 5 FDBDMP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000420350475 813623943 /nfs/dbraw/zinc/62/39/43/813623943.db2.gz SXKLCUQUFYICSD-OAHLLOKOSA-N 2 1 358.402 1.124 20 5 FDBDMP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000420350475 813623951 /nfs/dbraw/zinc/62/39/51/813623951.db2.gz SXKLCUQUFYICSD-OAHLLOKOSA-N 2 1 358.402 1.124 20 5 FDBDMP CC(C)[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178001292 174167241 /nfs/dbraw/zinc/16/72/41/174167241.db2.gz XYKXJBJPDOGIMR-UHFFFAOYSA-N 2 1 370.475 1.336 20 5 FDBDMP C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369270416 260327464 /nfs/dbraw/zinc/32/74/64/260327464.db2.gz YNQYRARDNJZSGL-VQIMIIECSA-N 2 1 362.474 1.931 20 5 FDBDMP C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369270416 260327465 /nfs/dbraw/zinc/32/74/65/260327465.db2.gz YNQYRARDNJZSGL-VQIMIIECSA-N 2 1 362.474 1.931 20 5 FDBDMP O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247060428 537076199 /nfs/dbraw/zinc/07/61/99/537076199.db2.gz VLFVTTFXGHEFRP-KBPBESRZSA-N 2 1 368.459 1.090 20 5 FDBDMP O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000247060428 537076201 /nfs/dbraw/zinc/07/62/01/537076201.db2.gz VLFVTTFXGHEFRP-KBPBESRZSA-N 2 1 368.459 1.090 20 5 FDBDMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000251948308 537249111 /nfs/dbraw/zinc/24/91/11/537249111.db2.gz UNEMEMISBHILKK-KBPBESRZSA-N 2 1 373.413 1.308 20 5 FDBDMP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000251948308 537249113 /nfs/dbraw/zinc/24/91/13/537249113.db2.gz UNEMEMISBHILKK-KBPBESRZSA-N 2 1 373.413 1.308 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280248667 537392477 /nfs/dbraw/zinc/39/24/77/537392477.db2.gz BVRKVDKGGLQSOE-SCTDSRPQSA-N 2 1 371.441 1.216 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280248667 537392483 /nfs/dbraw/zinc/39/24/83/537392483.db2.gz BVRKVDKGGLQSOE-SCTDSRPQSA-N 2 1 371.441 1.216 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280248667 537392492 /nfs/dbraw/zinc/39/24/92/537392492.db2.gz BVRKVDKGGLQSOE-SCTDSRPQSA-N 2 1 371.441 1.216 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280248667 537392498 /nfs/dbraw/zinc/39/24/98/537392498.db2.gz BVRKVDKGGLQSOE-SCTDSRPQSA-N 2 1 371.441 1.216 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000394065791 537786438 /nfs/dbraw/zinc/78/64/38/537786438.db2.gz BMHHCSWALLTBHU-SFHVURJKSA-N 2 1 359.430 1.406 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443061023 538387600 /nfs/dbraw/zinc/38/76/00/538387600.db2.gz QOUCUDUHHZMDJL-ZDUSSCGKSA-N 2 1 350.419 1.993 20 5 FDBDMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000472626785 538674680 /nfs/dbraw/zinc/67/46/80/538674680.db2.gz CTXCBXIKWOCWTR-CABCVRRESA-N 2 1 351.451 1.975 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000490087883 538847894 /nfs/dbraw/zinc/84/78/94/538847894.db2.gz OKEBORCUOCVQKE-CQSZACIVSA-N 2 1 351.403 1.850 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000490087883 538847898 /nfs/dbraw/zinc/84/78/98/538847898.db2.gz OKEBORCUOCVQKE-CQSZACIVSA-N 2 1 351.403 1.850 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000563149480 546425713 /nfs/dbraw/zinc/42/57/13/546425713.db2.gz DVZRMQIZMPDKPT-AWEZNQCLSA-N 2 1 362.430 1.863 20 5 FDBDMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000571198695 549562340 /nfs/dbraw/zinc/56/23/40/549562340.db2.gz VKMMQWUAQJXVHY-HNNXBMFYSA-N 2 1 353.419 1.035 20 5 FDBDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434217 549644597 /nfs/dbraw/zinc/64/45/97/549644597.db2.gz YMHOCTHOTKLGFH-CVEARBPZSA-N 2 1 367.446 1.425 20 5 FDBDMP C[C@@H]1CC2(C[N@H+]1CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC[NH2+]CC2 ZINC000577171408 550627847 /nfs/dbraw/zinc/62/78/47/550627847.db2.gz GTRVXPFFJZYJKC-CQSZACIVSA-N 2 1 358.442 1.948 20 5 FDBDMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000580217301 550956381 /nfs/dbraw/zinc/95/63/81/550956381.db2.gz ZWJZLUZSGJINQY-CABCVRRESA-N 2 1 371.397 1.036 20 5 FDBDMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000580217301 550956383 /nfs/dbraw/zinc/95/63/83/550956383.db2.gz ZWJZLUZSGJINQY-CABCVRRESA-N 2 1 371.397 1.036 20 5 FDBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593739248 552188206 /nfs/dbraw/zinc/18/82/06/552188206.db2.gz ZKXGGRZYZOZRJI-CPUCHLNUSA-N 2 1 362.430 1.752 20 5 FDBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593739248 552188208 /nfs/dbraw/zinc/18/82/08/552188208.db2.gz ZKXGGRZYZOZRJI-CPUCHLNUSA-N 2 1 362.430 1.752 20 5 FDBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593739250 552188263 /nfs/dbraw/zinc/18/82/63/552188263.db2.gz ZKXGGRZYZOZRJI-VBQJREDUSA-N 2 1 362.430 1.752 20 5 FDBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593739250 552188264 /nfs/dbraw/zinc/18/82/64/552188264.db2.gz ZKXGGRZYZOZRJI-VBQJREDUSA-N 2 1 362.430 1.752 20 5 FDBDMP COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000597941497 552848448 /nfs/dbraw/zinc/84/84/48/552848448.db2.gz BDRFYOHXYUKTDM-ZDUSSCGKSA-N 2 1 352.435 1.605 20 5 FDBDMP COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000597941497 552848449 /nfs/dbraw/zinc/84/84/49/552848449.db2.gz BDRFYOHXYUKTDM-ZDUSSCGKSA-N 2 1 352.435 1.605 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602888701 553661117 /nfs/dbraw/zinc/66/11/17/553661117.db2.gz AXWODAJNOGOORY-SFHVURJKSA-N 2 1 364.446 1.620 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602888701 553661119 /nfs/dbraw/zinc/66/11/19/553661119.db2.gz AXWODAJNOGOORY-SFHVURJKSA-N 2 1 364.446 1.620 20 5 FDBDMP O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](C3CC3)C2)nc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000603279177 553752118 /nfs/dbraw/zinc/75/21/18/553752118.db2.gz PBPYCGAFNFKORA-CHWSQXEVSA-N 2 1 373.461 1.682 20 5 FDBDMP O=[N+]([O-])c1cnc(N[C@@H]2CC[NH+](C3CC3)C2)nc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000603279177 553752121 /nfs/dbraw/zinc/75/21/21/553752121.db2.gz PBPYCGAFNFKORA-CHWSQXEVSA-N 2 1 373.461 1.682 20 5 FDBDMP O=[N+]([O-])c1cnc(N[C@@H]2CC[NH+](C3CC3)C2)nc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000603279177 553752123 /nfs/dbraw/zinc/75/21/23/553752123.db2.gz PBPYCGAFNFKORA-CHWSQXEVSA-N 2 1 373.461 1.682 20 5 FDBDMP COC[C@]1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000423417947 680792572 /nfs/dbraw/zinc/79/25/72/680792572.db2.gz HNXRFAWOOXSSQL-SUMWQHHRSA-N 2 1 350.419 1.670 20 5 FDBDMP COC[C@@]1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414938288 679374860 /nfs/dbraw/zinc/37/48/60/679374860.db2.gz FAOZWGLKUMOUKJ-GUYCJALGSA-N 2 1 350.419 1.670 20 5 FDBDMP C[N@H+]1CCC[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000574072282 694912061 /nfs/dbraw/zinc/91/20/61/694912061.db2.gz UAKPERSOAUFPKA-AWEZNQCLSA-N 2 1 355.460 1.690 20 5 FDBDMP COc1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001164686130 719610034 /nfs/dbraw/zinc/61/00/34/719610034.db2.gz YIXKQRXIPNQCJZ-UHFFFAOYSA-N 2 1 360.418 1.670 20 5 FDBDMP COc1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001164686130 719610044 /nfs/dbraw/zinc/61/00/44/719610044.db2.gz YIXKQRXIPNQCJZ-UHFFFAOYSA-N 2 1 360.418 1.670 20 5 FDBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430608447 777024529 /nfs/dbraw/zinc/02/45/29/777024529.db2.gz FJZKHROXDAKNNL-CQSZACIVSA-N 2 1 364.446 1.669 20 5 FDBDMP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000431041188 779876614 /nfs/dbraw/zinc/87/66/14/779876614.db2.gz RMCLHHOEUWFXPY-UHFFFAOYSA-N 2 1 362.386 1.338 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347684 813613279 /nfs/dbraw/zinc/61/32/79/813613279.db2.gz ZCZKIJWDMVSZAW-MELADBBJSA-N 2 1 362.430 1.862 20 5 FDBDMP Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517734918 817554676 /nfs/dbraw/zinc/55/46/76/817554676.db2.gz CSUUMXASEOXAAG-UHFFFAOYSA-N 2 1 356.386 1.697 20 5 FDBDMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448932935 829303420 /nfs/dbraw/zinc/30/34/20/829303420.db2.gz MWVZOCNXFHOILG-CQSZACIVSA-N 2 1 359.386 1.231 20 5 FDBDMP COCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448932935 829303431 /nfs/dbraw/zinc/30/34/31/829303431.db2.gz MWVZOCNXFHOILG-CQSZACIVSA-N 2 1 359.386 1.231 20 5 FDBDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000789593506 933112479 /nfs/dbraw/zinc/11/24/79/933112479.db2.gz WWBDBWGDYMQVCE-AWEZNQCLSA-N 2 1 367.362 1.611 20 5 FDBDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000789593506 933112483 /nfs/dbraw/zinc/11/24/83/933112483.db2.gz WWBDBWGDYMQVCE-AWEZNQCLSA-N 2 1 367.362 1.611 20 5 FDBDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCn3ccc([N+](=O)[O-])n3)C2)ccn1 ZINC000856588961 971238642 /nfs/dbraw/zinc/23/86/42/971238642.db2.gz DDWPTTXYWQLUPM-KRWDZBQOSA-N 2 1 374.445 1.791 20 5 FDBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)ccn1 ZINC000856588961 971238646 /nfs/dbraw/zinc/23/86/46/971238646.db2.gz DDWPTTXYWQLUPM-KRWDZBQOSA-N 2 1 374.445 1.791 20 5 FDBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)ccn1 ZINC000856588961 971238650 /nfs/dbraw/zinc/23/86/50/971238650.db2.gz DDWPTTXYWQLUPM-KRWDZBQOSA-N 2 1 374.445 1.791 20 5 FDBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)n2c[nH+]cc2C[C@@H]([NH3+])CO)c1F ZINC001173190624 961958623 /nfs/dbraw/zinc/95/86/23/961958623.db2.gz ZZQSNYRCGHAGSD-WDEREUQCSA-N 2 1 352.366 1.605 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001177328056 963767253 /nfs/dbraw/zinc/76/72/53/963767253.db2.gz FHKGPUFUYZJFMC-AWEZNQCLSA-N 2 1 365.430 1.968 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855346308 970305775 /nfs/dbraw/zinc/30/57/75/970305775.db2.gz VVMASOWBBQOUBI-BBRMVZONSA-N 2 1 352.435 1.016 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855346308 970305784 /nfs/dbraw/zinc/30/57/84/970305784.db2.gz VVMASOWBBQOUBI-BBRMVZONSA-N 2 1 352.435 1.016 20 5 FDBDMP O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090015305 172258924 /nfs/dbraw/zinc/25/89/24/172258924.db2.gz DHBJNHXJYQXTDD-UONOGXRCSA-N 2 1 368.459 1.090 20 5 FDBDMP O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090015305 172258927 /nfs/dbraw/zinc/25/89/27/172258927.db2.gz DHBJNHXJYQXTDD-UONOGXRCSA-N 2 1 368.459 1.090 20 5 FDBDMP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])cc1OC ZINC000262114671 258405807 /nfs/dbraw/zinc/40/58/07/258405807.db2.gz LABJAYVYBVGIRD-AWEZNQCLSA-N 2 1 350.419 1.092 20 5 FDBDMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])cc1OC ZINC000262114671 258405808 /nfs/dbraw/zinc/40/58/08/258405808.db2.gz LABJAYVYBVGIRD-AWEZNQCLSA-N 2 1 350.419 1.092 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368351401 260170328 /nfs/dbraw/zinc/17/03/28/260170328.db2.gz GAHRPCPCATYTLX-SFHVURJKSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368351401 260170329 /nfs/dbraw/zinc/17/03/29/260170329.db2.gz GAHRPCPCATYTLX-SFHVURJKSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368351401 260170330 /nfs/dbraw/zinc/17/03/30/260170330.db2.gz GAHRPCPCATYTLX-SFHVURJKSA-N 2 1 362.430 1.960 20 5 FDBDMP CN1CCN(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)C(=O)C1 ZINC000374749696 261187917 /nfs/dbraw/zinc/18/79/17/261187917.db2.gz KQFFMWVVTWOLEK-UHFFFAOYSA-N 2 1 362.430 1.212 20 5 FDBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184676018 536175281 /nfs/dbraw/zinc/17/52/81/536175281.db2.gz YKLMPLLAISNWKU-HNNXBMFYSA-N 2 1 364.446 1.789 20 5 FDBDMP Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000469857105 538816532 /nfs/dbraw/zinc/81/65/32/538816532.db2.gz XUQAZSNKOQPASR-IRXDYDNUSA-N 2 1 360.458 1.983 20 5 FDBDMP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000577069672 550617185 /nfs/dbraw/zinc/61/71/85/550617185.db2.gz RGMZPDOYKOEUBK-GFCCVEGCSA-N 2 1 350.419 1.991 20 5 FDBDMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[C@H]1[NH3+] ZINC000592489520 552000928 /nfs/dbraw/zinc/00/09/28/552000928.db2.gz YFMQREOIAJCEQX-GXTWGEPZSA-N 2 1 350.419 1.991 20 5 FDBDMP COCC[NH2+]C1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000593736164 552187230 /nfs/dbraw/zinc/18/72/30/552187230.db2.gz IFTCNGBVAOPADR-UHFFFAOYSA-N 2 1 364.446 1.932 20 5 FDBDMP CNC(=O)c1ccc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596362893 552675436 /nfs/dbraw/zinc/67/54/36/552675436.db2.gz DVHYQAPKGDZRNB-ZDUSSCGKSA-N 2 1 351.451 1.638 20 5 FDBDMP CNC(=O)c1ccc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596362893 552675437 /nfs/dbraw/zinc/67/54/37/552675437.db2.gz DVHYQAPKGDZRNB-ZDUSSCGKSA-N 2 1 351.451 1.638 20 5 FDBDMP C[NH+]1CC=C(CNc2ncnc(NCC3=CC[N@@H+](C)CC3)c2[N+](=O)[O-])CC1 ZINC000603327196 553764840 /nfs/dbraw/zinc/76/48/40/553764840.db2.gz AXEONQFIBOIJLE-UHFFFAOYSA-N 2 1 373.461 1.732 20 5 FDBDMP COC[C@@]1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000423417945 680792627 /nfs/dbraw/zinc/79/26/27/680792627.db2.gz HNXRFAWOOXSSQL-DYVFJYSZSA-N 2 1 350.419 1.670 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430567458 681082477 /nfs/dbraw/zinc/08/24/77/681082477.db2.gz DNCGPDGTNLZBHA-CHWSQXEVSA-N 2 1 350.419 1.991 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261833286 774493160 /nfs/dbraw/zinc/49/31/60/774493160.db2.gz LCPYGMJXKJBEIY-GUYCJALGSA-N 2 1 364.421 1.814 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261833286 774493161 /nfs/dbraw/zinc/49/31/61/774493161.db2.gz LCPYGMJXKJBEIY-GUYCJALGSA-N 2 1 364.421 1.814 20 5 FDBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420408697 813654823 /nfs/dbraw/zinc/65/48/23/813654823.db2.gz VBYSABKYCJZTCT-QBIMZIAESA-N 2 1 373.457 1.876 20 5 FDBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420408697 813654828 /nfs/dbraw/zinc/65/48/28/813654828.db2.gz VBYSABKYCJZTCT-QBIMZIAESA-N 2 1 373.457 1.876 20 5 FDBDMP COc1c(O)ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000894253648 813856312 /nfs/dbraw/zinc/85/63/12/813856312.db2.gz MGACHDIZLSLNCR-UHFFFAOYSA-N 2 1 352.435 1.425 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440169 1004164437 /nfs/dbraw/zinc/16/44/37/1004164437.db2.gz HEWQIXHJYQAPQK-UONOGXRCSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440169 1004164443 /nfs/dbraw/zinc/16/44/43/1004164443.db2.gz HEWQIXHJYQAPQK-UONOGXRCSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440169 1004164450 /nfs/dbraw/zinc/16/44/50/1004164450.db2.gz HEWQIXHJYQAPQK-UONOGXRCSA-N 2 1 362.430 1.816 20 5 FDBDMP NC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000075937865 172099758 /nfs/dbraw/zinc/09/97/58/172099758.db2.gz LZJNVDGMPUBXOS-UHFFFAOYSA-N 2 1 362.430 1.238 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000372588297 537981300 /nfs/dbraw/zinc/98/13/00/537981300.db2.gz XAPFXZVDBGPZFA-NVXWUHKLSA-N 2 1 351.451 1.350 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000372588297 537981308 /nfs/dbraw/zinc/98/13/08/537981308.db2.gz XAPFXZVDBGPZFA-NVXWUHKLSA-N 2 1 351.451 1.350 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357655 538278188 /nfs/dbraw/zinc/27/81/88/538278188.db2.gz DULYZQLZFRNUAP-GOSISDBHSA-N 2 1 360.414 1.968 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357655 538278193 /nfs/dbraw/zinc/27/81/93/538278193.db2.gz DULYZQLZFRNUAP-GOSISDBHSA-N 2 1 360.414 1.968 20 5 FDBDMP O=C1N[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397459 538285790 /nfs/dbraw/zinc/28/57/90/538285790.db2.gz FMMPYLLLQLWILG-ZWKOTPCHSA-N 2 1 373.457 1.357 20 5 FDBDMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000571208997 549566276 /nfs/dbraw/zinc/56/62/76/549566276.db2.gz KYNCZZIFAVZQJI-SJORKVTESA-N 2 1 367.446 1.017 20 5 FDBDMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592490492 552001470 /nfs/dbraw/zinc/00/14/70/552001470.db2.gz ZFHKDXICWICNBR-MRXNPFEDSA-N 2 1 358.442 1.805 20 5 FDBDMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595864677 552625613 /nfs/dbraw/zinc/62/56/13/552625613.db2.gz VKRGVTFFVFYVKF-OAHLLOKOSA-N 2 1 362.430 1.454 20 5 FDBDMP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595864677 552625614 /nfs/dbraw/zinc/62/56/14/552625614.db2.gz VKRGVTFFVFYVKF-OAHLLOKOSA-N 2 1 362.430 1.454 20 5 FDBDMP O=C([C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)N1CC[NH2+]CC1 ZINC000470013991 684999330 /nfs/dbraw/zinc/99/93/30/684999330.db2.gz TVWXYJIETQRJDN-CQSZACIVSA-N 2 1 350.394 1.378 20 5 FDBDMP Cc1c(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000261864094 774520913 /nfs/dbraw/zinc/52/09/13/774520913.db2.gz NLVPXLNHDBAJJZ-WBVHZDCISA-N 2 1 360.458 1.983 20 5 FDBDMP Cc1c(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000261864073 774525998 /nfs/dbraw/zinc/52/59/98/774525998.db2.gz NLVPXLNHDBAJJZ-DOTOQJQBSA-N 2 1 360.458 1.983 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430610798 777067240 /nfs/dbraw/zinc/06/72/40/777067240.db2.gz MGRCVKPHMZJZFB-AWEZNQCLSA-N 2 1 362.430 1.247 20 5 FDBDMP COc1c(O)ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000892004176 781174137 /nfs/dbraw/zinc/17/41/37/781174137.db2.gz MZEYXOCACWSYRL-UHFFFAOYSA-N 2 1 353.419 1.852 20 5 FDBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825394263 947217929 /nfs/dbraw/zinc/21/79/29/947217929.db2.gz WXJKLIVGFNBMDJ-QGZVFWFLSA-N 2 1 371.397 1.414 20 5 FDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)c1 ZINC001176880127 963585274 /nfs/dbraw/zinc/58/52/74/963585274.db2.gz RWQRRQJPYJRXNO-SFHVURJKSA-N 2 1 363.458 1.941 20 5 FDBDMP C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000362280576 988621598 /nfs/dbraw/zinc/62/15/98/988621598.db2.gz JOGJRVHWDCKWQC-CXAGYDPISA-N 2 1 355.398 1.947 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879574546 995028139 /nfs/dbraw/zinc/02/81/39/995028139.db2.gz BGZZKSKIXAITPS-CJNGLKHVSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879574546 995028150 /nfs/dbraw/zinc/02/81/50/995028150.db2.gz BGZZKSKIXAITPS-CJNGLKHVSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574546 995028160 /nfs/dbraw/zinc/02/81/60/995028160.db2.gz BGZZKSKIXAITPS-CJNGLKHVSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574546 995028169 /nfs/dbraw/zinc/02/81/69/995028169.db2.gz BGZZKSKIXAITPS-CJNGLKHVSA-N 2 1 362.430 1.958 20 5 FDBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCCC[NH+]2CCNCC2)n1 ZINC000925845320 995794872 /nfs/dbraw/zinc/79/48/72/995794872.db2.gz GFHLOIHXVYYZNE-SJORKVTESA-N 2 1 364.494 1.940 20 5 FDBDMP Cn1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237912070 178338146 /nfs/dbraw/zinc/33/81/46/178338146.db2.gz HNWXAEYIKVEHLS-UHFFFAOYSA-N 2 1 373.457 1.932 20 5 FDBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174782151 524736659 /nfs/dbraw/zinc/73/66/59/524736659.db2.gz MBEOQDAIQRWFKC-HFTRVMKXSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174782151 524736667 /nfs/dbraw/zinc/73/66/67/524736667.db2.gz MBEOQDAIQRWFKC-HFTRVMKXSA-N 2 1 351.447 1.997 20 5 FDBDMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248437786 537181610 /nfs/dbraw/zinc/18/16/10/537181610.db2.gz BMVLXJAJZJTARX-JKSUJKDBSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248437786 537181612 /nfs/dbraw/zinc/18/16/12/537181612.db2.gz BMVLXJAJZJTARX-JKSUJKDBSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248437786 537181614 /nfs/dbraw/zinc/18/16/14/537181614.db2.gz BMVLXJAJZJTARX-JKSUJKDBSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248437786 537181617 /nfs/dbraw/zinc/18/16/17/537181617.db2.gz BMVLXJAJZJTARX-JKSUJKDBSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248437786 537181619 /nfs/dbraw/zinc/18/16/19/537181619.db2.gz BMVLXJAJZJTARX-JKSUJKDBSA-N 2 1 351.447 1.998 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292212308 537717568 /nfs/dbraw/zinc/71/75/68/537717568.db2.gz UFDDUQGXRGLANS-SFHVURJKSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292212308 537717571 /nfs/dbraw/zinc/71/75/71/537717571.db2.gz UFDDUQGXRGLANS-SFHVURJKSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292212308 537717572 /nfs/dbraw/zinc/71/75/72/537717572.db2.gz UFDDUQGXRGLANS-SFHVURJKSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292274392 537723437 /nfs/dbraw/zinc/72/34/37/537723437.db2.gz ZXCJBPXKUXOYDN-SFHVURJKSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292274392 537723439 /nfs/dbraw/zinc/72/34/39/537723439.db2.gz ZXCJBPXKUXOYDN-SFHVURJKSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292274392 537723440 /nfs/dbraw/zinc/72/34/40/537723440.db2.gz ZXCJBPXKUXOYDN-SFHVURJKSA-N 2 1 362.430 1.960 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000449559636 538425622 /nfs/dbraw/zinc/42/56/22/538425622.db2.gz CHVBSKWOFJCSID-GOOCMWNKSA-N 2 1 363.414 1.861 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000449559636 538425626 /nfs/dbraw/zinc/42/56/26/538425626.db2.gz CHVBSKWOFJCSID-GOOCMWNKSA-N 2 1 363.414 1.861 20 5 FDBDMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[C@@H]1[NH3+] ZINC000592489524 552001122 /nfs/dbraw/zinc/00/11/22/552001122.db2.gz YFMQREOIAJCEQX-OCCSQVGLSA-N 2 1 350.419 1.991 20 5 FDBDMP COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[N@H+](C)CCC[NH+](C)C ZINC000596425610 552678059 /nfs/dbraw/zinc/67/80/59/552678059.db2.gz SFNLLAUYLYGRRI-UHFFFAOYSA-N 2 1 361.446 1.869 20 5 FDBDMP COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[N@@H+](C)CCC[NH+](C)C ZINC000596425610 552678061 /nfs/dbraw/zinc/67/80/61/552678061.db2.gz SFNLLAUYLYGRRI-UHFFFAOYSA-N 2 1 361.446 1.869 20 5 FDBDMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602948912 553677427 /nfs/dbraw/zinc/67/74/27/553677427.db2.gz FVTCKQGIGVGRAW-INIZCTEOSA-N 2 1 351.451 1.493 20 5 FDBDMP COc1ncnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164683623 719620956 /nfs/dbraw/zinc/62/09/56/719620956.db2.gz UEJOBXYRPXTDIQ-UHFFFAOYSA-N 2 1 361.406 1.065 20 5 FDBDMP COc1ncnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164683623 719620963 /nfs/dbraw/zinc/62/09/63/719620963.db2.gz UEJOBXYRPXTDIQ-UHFFFAOYSA-N 2 1 361.406 1.065 20 5 FDBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420337908 813609845 /nfs/dbraw/zinc/60/98/45/813609845.db2.gz XJQAQKSZSPIFPY-VUCTXSBTSA-N 2 1 362.430 1.750 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420326202 813616664 /nfs/dbraw/zinc/61/66/64/813616664.db2.gz JNYIZDHTHXTKEU-QAPCUYQASA-N 2 1 362.430 1.670 20 5 FDBDMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000261866321 814801294 /nfs/dbraw/zinc/80/12/94/814801294.db2.gz NPXALMNWIMHHTA-CZUORRHYSA-N 2 1 364.421 1.814 20 5 FDBDMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000261866321 814801295 /nfs/dbraw/zinc/80/12/95/814801295.db2.gz NPXALMNWIMHHTA-CZUORRHYSA-N 2 1 364.421 1.814 20 5 FDBDMP O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000923431295 889230486 /nfs/dbraw/zinc/23/04/86/889230486.db2.gz OGCLHILRVRLQCX-CEXWTWQISA-N 2 1 360.458 1.529 20 5 FDBDMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169029012 928227439 /nfs/dbraw/zinc/22/74/39/928227439.db2.gz TVXTXKXZWMPMID-CVEARBPZSA-N 2 1 374.489 1.074 20 5 FDBDMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169029012 928227449 /nfs/dbraw/zinc/22/74/49/928227449.db2.gz TVXTXKXZWMPMID-CVEARBPZSA-N 2 1 374.489 1.074 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000855345726 970304010 /nfs/dbraw/zinc/30/40/10/970304010.db2.gz HGCYVABDUCHHPX-LBPRGKRZSA-N 2 1 367.406 1.505 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000855345726 970304018 /nfs/dbraw/zinc/30/40/18/970304018.db2.gz HGCYVABDUCHHPX-LBPRGKRZSA-N 2 1 367.406 1.505 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879574468 995028329 /nfs/dbraw/zinc/02/83/29/995028329.db2.gz ADTNHELCXLHPBU-CJNGLKHVSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879574468 995028340 /nfs/dbraw/zinc/02/83/40/995028340.db2.gz ADTNHELCXLHPBU-CJNGLKHVSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574468 995028349 /nfs/dbraw/zinc/02/83/49/995028349.db2.gz ADTNHELCXLHPBU-CJNGLKHVSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574468 995028358 /nfs/dbraw/zinc/02/83/58/995028358.db2.gz ADTNHELCXLHPBU-CJNGLKHVSA-N 2 1 362.430 1.958 20 5 FDBDMP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880261554 995764785 /nfs/dbraw/zinc/76/47/85/995764785.db2.gz WKEYNMKMILRNTG-WBVHZDCISA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880261554 995764793 /nfs/dbraw/zinc/76/47/93/995764793.db2.gz WKEYNMKMILRNTG-WBVHZDCISA-N 2 1 372.425 1.940 20 5 FDBDMP C[NH+](C)CC1(O)CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000931481034 1004196717 /nfs/dbraw/zinc/19/67/17/1004196717.db2.gz HXKGOTUVZSJQBI-INIZCTEOSA-N 2 1 362.430 1.089 20 5 FDBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015453 172258979 /nfs/dbraw/zinc/25/89/79/172258979.db2.gz JAWMVKOXCBFNAP-MCIONIFRSA-N 2 1 370.475 1.191 20 5 FDBDMP O=C(CC[N@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000129668011 173147235 /nfs/dbraw/zinc/14/72/35/173147235.db2.gz MMMOTTAYTMGZMA-OAHLLOKOSA-N 2 1 362.430 1.578 20 5 FDBDMP C[C@@H]1C[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000178001084 174167104 /nfs/dbraw/zinc/16/71/04/174167104.db2.gz OEEPRXLAJBGUBX-OLZOCXBDSA-N 2 1 368.459 1.088 20 5 FDBDMP C[C@@H]1C[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000178001084 174167105 /nfs/dbraw/zinc/16/71/05/174167105.db2.gz OEEPRXLAJBGUBX-OLZOCXBDSA-N 2 1 368.459 1.088 20 5 FDBDMP CC(C)[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000180458281 258369106 /nfs/dbraw/zinc/36/91/06/258369106.db2.gz OGGVKNVWVRHZHV-UHFFFAOYSA-N 2 1 370.475 1.336 20 5 FDBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000174714482 524700717 /nfs/dbraw/zinc/70/07/17/524700717.db2.gz OTYPECQQRHWBPB-UHFFFAOYSA-N 2 1 363.462 1.493 20 5 FDBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162105173 525214345 /nfs/dbraw/zinc/21/43/45/525214345.db2.gz UFMFROONQQAZJD-IOASZLSFSA-N 2 1 370.475 1.191 20 5 FDBDMP C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247559922 537134691 /nfs/dbraw/zinc/13/46/91/537134691.db2.gz QRZFSXYJYWSLBU-PKOBYXMFSA-N 2 1 373.457 1.606 20 5 FDBDMP C[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247559922 537134693 /nfs/dbraw/zinc/13/46/93/537134693.db2.gz QRZFSXYJYWSLBU-PKOBYXMFSA-N 2 1 373.457 1.606 20 5 FDBDMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247573648 537135916 /nfs/dbraw/zinc/13/59/16/537135916.db2.gz SACQALQOVPXZLZ-DOTOQJQBSA-N 2 1 351.447 1.998 20 5 FDBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247573648 537135920 /nfs/dbraw/zinc/13/59/20/537135920.db2.gz SACQALQOVPXZLZ-DOTOQJQBSA-N 2 1 351.447 1.998 20 5 FDBDMP COc1cc(C[NH+]2CCC(O)(C[NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000415143551 537961072 /nfs/dbraw/zinc/96/10/72/537961072.db2.gz SLJHOELVRSYWJL-UHFFFAOYSA-N 2 1 361.345 1.490 20 5 FDBDMP CCc1n[nH]c(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000444156349 538121973 /nfs/dbraw/zinc/12/19/73/538121973.db2.gz NWXLZBPOMZGGBW-CYBMUJFWSA-N 2 1 366.466 1.368 20 5 FDBDMP CCc1[nH]nc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000444156349 538121979 /nfs/dbraw/zinc/12/19/79/538121979.db2.gz NWXLZBPOMZGGBW-CYBMUJFWSA-N 2 1 366.466 1.368 20 5 FDBDMP CCc1[nH]nc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000444156349 538121983 /nfs/dbraw/zinc/12/19/83/538121983.db2.gz NWXLZBPOMZGGBW-CYBMUJFWSA-N 2 1 366.466 1.368 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000575869328 550485238 /nfs/dbraw/zinc/48/52/38/550485238.db2.gz PQYNFDWOULCZNU-GJZGRUSLSA-N 2 1 367.471 1.690 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000575869328 550485240 /nfs/dbraw/zinc/48/52/40/550485240.db2.gz PQYNFDWOULCZNU-GJZGRUSLSA-N 2 1 367.471 1.690 20 5 FDBDMP COCC[NH2+]C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000593737614 552187848 /nfs/dbraw/zinc/18/78/48/552187848.db2.gz RCGDMEJKCZAZMB-UHFFFAOYSA-N 2 1 350.419 1.624 20 5 FDBDMP Cc1noc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000595432057 552558866 /nfs/dbraw/zinc/55/88/66/552558866.db2.gz KJNRPCFLXWSSOZ-UHFFFAOYSA-N 2 1 351.451 1.741 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596845079 552717159 /nfs/dbraw/zinc/71/71/59/552717159.db2.gz UBJAQLSYAWLCFN-ZDUSSCGKSA-N 2 1 367.450 1.997 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596845079 552717161 /nfs/dbraw/zinc/71/71/61/552717161.db2.gz UBJAQLSYAWLCFN-ZDUSSCGKSA-N 2 1 367.450 1.997 20 5 FDBDMP COc1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001164685263 719601655 /nfs/dbraw/zinc/60/16/55/719601655.db2.gz UKJLMZVFOVOCPG-UHFFFAOYSA-N 2 1 361.406 1.065 20 5 FDBDMP COc1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001164685263 719601664 /nfs/dbraw/zinc/60/16/64/719601664.db2.gz UKJLMZVFOVOCPG-UHFFFAOYSA-N 2 1 361.406 1.065 20 5 FDBDMP C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000313083281 801249456 /nfs/dbraw/zinc/24/94/56/801249456.db2.gz XCWHMCLRXPXULK-KVSKMBFKSA-N 2 1 373.457 1.652 20 5 FDBDMP CN(C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000420333463 813621504 /nfs/dbraw/zinc/62/15/04/813621504.db2.gz NQXTZIWYCZSLQL-AEFFLSMTSA-N 2 1 362.430 1.386 20 5 FDBDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000367050776 814269472 /nfs/dbraw/zinc/26/94/72/814269472.db2.gz SIKXMDQJYXXNEU-KRWDZBQOSA-N 2 1 364.494 1.844 20 5 FDBDMP O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000923431297 889230273 /nfs/dbraw/zinc/23/02/73/889230273.db2.gz OGCLHILRVRLQCX-OTWHNJEPSA-N 2 1 360.458 1.529 20 5 FDBDMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169023999 928248415 /nfs/dbraw/zinc/24/84/15/928248415.db2.gz WPKMOXHYHVYUSP-DOTOQJQBSA-N 2 1 362.474 1.256 20 5 FDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000819218498 943493000 /nfs/dbraw/zinc/49/30/00/943493000.db2.gz HSQWJUWVVALIRX-PMACEKPBSA-N 2 1 371.437 1.985 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000360928087 988214351 /nfs/dbraw/zinc/21/43/51/988214351.db2.gz QVZZOQKPFPURRP-JZGRTCEGSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000360928087 988214368 /nfs/dbraw/zinc/21/43/68/988214368.db2.gz QVZZOQKPFPURRP-JZGRTCEGSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000360928087 988214383 /nfs/dbraw/zinc/21/43/83/988214383.db2.gz QVZZOQKPFPURRP-JZGRTCEGSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000360928087 988214400 /nfs/dbraw/zinc/21/44/00/988214400.db2.gz QVZZOQKPFPURRP-JZGRTCEGSA-N 2 1 361.442 1.751 20 5 FDBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000523484257 539611265 /nfs/dbraw/zinc/61/12/65/539611265.db2.gz HQQGFPSBWALFJW-CQSZACIVSA-N 2 1 351.451 1.421 20 5 FDBDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144110 541721869 /nfs/dbraw/zinc/72/18/69/541721869.db2.gz WZPDNOTWLABHQF-SJORKVTESA-N 2 1 363.458 1.998 20 5 FDBDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144110 541721872 /nfs/dbraw/zinc/72/18/72/541721872.db2.gz WZPDNOTWLABHQF-SJORKVTESA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144110 541721875 /nfs/dbraw/zinc/72/18/75/541721875.db2.gz WZPDNOTWLABHQF-SJORKVTESA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144110 541721878 /nfs/dbraw/zinc/72/18/78/541721878.db2.gz WZPDNOTWLABHQF-SJORKVTESA-N 2 1 363.458 1.998 20 5 FDBDMP C[C@H]1C[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000178001096 174167441 /nfs/dbraw/zinc/16/74/41/174167441.db2.gz OEEPRXLAJBGUBX-STQMWFEESA-N 2 1 368.459 1.088 20 5 FDBDMP C[C@H]1C[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000178001096 174167443 /nfs/dbraw/zinc/16/74/43/174167443.db2.gz OEEPRXLAJBGUBX-STQMWFEESA-N 2 1 368.459 1.088 20 5 FDBDMP C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367884910 260105232 /nfs/dbraw/zinc/10/52/32/260105232.db2.gz IZXGGOPOKIHBNN-SFHVURJKSA-N 2 1 374.445 1.396 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420342878 538269039 /nfs/dbraw/zinc/26/90/39/538269039.db2.gz QJILAMHINJTEPE-UONOGXRCSA-N 2 1 362.430 1.863 20 5 FDBDMP O=C(C[NH+]1CCCC1)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601114248 553348980 /nfs/dbraw/zinc/34/89/80/553348980.db2.gz OCWHPTZNIHRNDK-UHFFFAOYSA-N 2 1 369.425 1.887 20 5 FDBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967561 553497029 /nfs/dbraw/zinc/49/70/29/553497029.db2.gz KLONVVKHVHFBMF-SZVBFZGTSA-N 2 1 373.457 1.510 20 5 FDBDMP COc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000602877014 553657979 /nfs/dbraw/zinc/65/79/79/553657979.db2.gz KALCWKGTZLFBHN-UHFFFAOYSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000602877014 553657982 /nfs/dbraw/zinc/65/79/82/553657982.db2.gz KALCWKGTZLFBHN-UHFFFAOYSA-N 2 1 362.430 1.960 20 5 FDBDMP O=[N+]([O-])c1c(N[C@@H]2CC[NH+](C3CC3)C2)ncnc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000603279144 553751909 /nfs/dbraw/zinc/75/19/09/553751909.db2.gz NOAISZUSWNTTRA-BETUJISGSA-N 2 1 373.461 1.682 20 5 FDBDMP O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+](C3CC3)C2)ncnc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000603279144 553751910 /nfs/dbraw/zinc/75/19/10/553751910.db2.gz NOAISZUSWNTTRA-BETUJISGSA-N 2 1 373.461 1.682 20 5 FDBDMP O=[N+]([O-])c1c(N[C@@H]2CC[N@H+](C3CC3)C2)ncnc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000603279144 553751912 /nfs/dbraw/zinc/75/19/12/553751912.db2.gz NOAISZUSWNTTRA-BETUJISGSA-N 2 1 373.461 1.682 20 5 FDBDMP O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](C3CC3)C2)nc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000603279180 553751949 /nfs/dbraw/zinc/75/19/49/553751949.db2.gz PBPYCGAFNFKORA-STQMWFEESA-N 2 1 373.461 1.682 20 5 FDBDMP O=[N+]([O-])c1cnc(N[C@H]2CC[NH+](C3CC3)C2)nc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000603279180 553751951 /nfs/dbraw/zinc/75/19/51/553751951.db2.gz PBPYCGAFNFKORA-STQMWFEESA-N 2 1 373.461 1.682 20 5 FDBDMP O=[N+]([O-])c1cnc(N[C@H]2CC[NH+](C3CC3)C2)nc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000603279180 553751952 /nfs/dbraw/zinc/75/19/52/553751952.db2.gz PBPYCGAFNFKORA-STQMWFEESA-N 2 1 373.461 1.682 20 5 FDBDMP CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289531917 676149057 /nfs/dbraw/zinc/14/90/57/676149057.db2.gz WFFGUWDOEKORGV-UHFFFAOYSA-N 2 1 351.451 1.009 20 5 FDBDMP CN(CCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000289531917 676149065 /nfs/dbraw/zinc/14/90/65/676149065.db2.gz WFFGUWDOEKORGV-UHFFFAOYSA-N 2 1 351.451 1.009 20 5 FDBDMP O=C([C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000430667477 681090204 /nfs/dbraw/zinc/09/02/04/681090204.db2.gz QBFZVOGKWWNYNU-ZDUSSCGKSA-N 2 1 350.394 1.378 20 5 FDBDMP O=C([C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000430667477 681090205 /nfs/dbraw/zinc/09/02/05/681090205.db2.gz QBFZVOGKWWNYNU-ZDUSSCGKSA-N 2 1 350.394 1.378 20 5 FDBDMP COc1c(O)ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000891611570 778520886 /nfs/dbraw/zinc/52/08/86/778520886.db2.gz PRYCOVHDANUJRD-UHFFFAOYSA-N 2 1 365.430 1.853 20 5 FDBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CC[NH+](CCO)CC2)c1F ZINC001173189029 961956726 /nfs/dbraw/zinc/95/67/26/961956726.db2.gz NBDVOCQVWVJGPG-GFCCVEGCSA-N 2 1 355.410 1.720 20 5 FDBDMP C[NH+](C)C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH+](C)C ZINC000870023973 985534200 /nfs/dbraw/zinc/53/42/00/985534200.db2.gz RAQGZYDNRIBPSF-CHWSQXEVSA-N 2 1 374.445 1.283 20 5 FDBDMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870895597 986470418 /nfs/dbraw/zinc/47/04/18/986470418.db2.gz KWMBZKNYHVSHFO-HNAYVOBHSA-N 2 1 360.458 1.959 20 5 FDBDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870895597 986470424 /nfs/dbraw/zinc/47/04/24/986470424.db2.gz KWMBZKNYHVSHFO-HNAYVOBHSA-N 2 1 360.458 1.959 20 5 FDBDMP Cc1cc(N2CCC([N@H+](C)CCn3ccc([N+](=O)[O-])n3)CC2)nc(C)[nH+]1 ZINC000363044349 988866410 /nfs/dbraw/zinc/86/64/10/988866410.db2.gz OZRFRCAGYXXJIE-UHFFFAOYSA-N 2 1 359.434 1.799 20 5 FDBDMP Cc1cc(N2CCC([N@@H+](C)CCn3ccc([N+](=O)[O-])n3)CC2)nc(C)[nH+]1 ZINC000363044349 988866424 /nfs/dbraw/zinc/86/64/24/988866424.db2.gz OZRFRCAGYXXJIE-UHFFFAOYSA-N 2 1 359.434 1.799 20 5 FDBDMP CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000877831272 993532177 /nfs/dbraw/zinc/53/21/77/993532177.db2.gz QWZWWGXUXXNDPK-IAGOWNOFSA-N 2 1 351.447 1.842 20 5 FDBDMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000268263552 180039130 /nfs/dbraw/zinc/03/91/30/180039130.db2.gz ZRAGIOWZMOMHPQ-WFASDCNBSA-N 2 1 355.398 1.993 20 5 FDBDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133200605 173257084 /nfs/dbraw/zinc/25/70/84/173257084.db2.gz FHXAIPLANHKFBB-UHFFFAOYSA-N 2 1 352.410 1.832 20 5 FDBDMP CCOc1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000179419017 525582239 /nfs/dbraw/zinc/58/22/39/525582239.db2.gz AOWQAYILMQRWEQ-AWEZNQCLSA-N 2 1 364.446 1.808 20 5 FDBDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000564850542 547065843 /nfs/dbraw/zinc/06/58/43/547065843.db2.gz VPTZGYSIRDSCSW-NVXWUHKLSA-N 2 1 351.447 1.902 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000575869330 550485303 /nfs/dbraw/zinc/48/53/03/550485303.db2.gz PQYNFDWOULCZNU-LSDHHAIUSA-N 2 1 367.471 1.690 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000575869330 550485305 /nfs/dbraw/zinc/48/53/05/550485305.db2.gz PQYNFDWOULCZNU-LSDHHAIUSA-N 2 1 367.471 1.690 20 5 FDBDMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592490491 552001396 /nfs/dbraw/zinc/00/13/96/552001396.db2.gz ZFHKDXICWICNBR-INIZCTEOSA-N 2 1 358.442 1.805 20 5 FDBDMP CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596363861 552675503 /nfs/dbraw/zinc/67/55/03/552675503.db2.gz KYBXJKHNGNLIIV-ZDUSSCGKSA-N 2 1 351.451 1.638 20 5 FDBDMP CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596363861 552675504 /nfs/dbraw/zinc/67/55/04/552675504.db2.gz KYBXJKHNGNLIIV-ZDUSSCGKSA-N 2 1 351.451 1.638 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600748440 553310707 /nfs/dbraw/zinc/31/07/07/553310707.db2.gz MUYSBRXNFKGWOB-HDICACEKSA-N 2 1 362.430 1.863 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600748440 553310709 /nfs/dbraw/zinc/31/07/09/553310709.db2.gz MUYSBRXNFKGWOB-HDICACEKSA-N 2 1 362.430 1.863 20 5 FDBDMP CC[NH+]1CCC(N2CCC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])CC2)CC1 ZINC000602847019 553650102 /nfs/dbraw/zinc/65/01/02/553650102.db2.gz QMXOVESWIKYTRZ-UHFFFAOYSA-N 2 1 364.494 1.592 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000612092728 554733187 /nfs/dbraw/zinc/73/31/87/554733187.db2.gz KZRKNELQNVYPGU-MRXNPFEDSA-N 2 1 358.398 1.552 20 5 FDBDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000436059838 681661282 /nfs/dbraw/zinc/66/12/82/681661282.db2.gz LVRWWBPECBBMRV-OAHLLOKOSA-N 2 1 350.419 1.293 20 5 FDBDMP COc1c(O)ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000893318512 795378501 /nfs/dbraw/zinc/37/85/01/795378501.db2.gz ATTWNYVBOYZGPH-UHFFFAOYSA-N 2 1 352.435 1.426 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000422561458 814828563 /nfs/dbraw/zinc/82/85/63/814828563.db2.gz LHNLMFJLSNQHLK-NFAWXSAZSA-N 2 1 365.430 1.952 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000422561458 814828564 /nfs/dbraw/zinc/82/85/64/814828564.db2.gz LHNLMFJLSNQHLK-NFAWXSAZSA-N 2 1 365.430 1.952 20 5 FDBDMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591607 932748956 /nfs/dbraw/zinc/74/89/56/932748956.db2.gz INAWUKGZXXTBHO-CYBMUJFWSA-N 2 1 363.462 1.770 20 5 FDBDMP COc1cc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000809998859 940936584 /nfs/dbraw/zinc/93/65/84/940936584.db2.gz YJJIYYBFRYQUEH-HNNXBMFYSA-N 2 1 352.391 1.711 20 5 FDBDMP COc1cc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000809998859 940936587 /nfs/dbraw/zinc/93/65/87/940936587.db2.gz YJJIYYBFRYQUEH-HNNXBMFYSA-N 2 1 352.391 1.711 20 5 FDBDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819042732 943391881 /nfs/dbraw/zinc/39/18/81/943391881.db2.gz LGNHWURYYBZGJD-QGZVFWFLSA-N 2 1 364.446 1.161 20 5 FDBDMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819062288 943426421 /nfs/dbraw/zinc/42/64/21/943426421.db2.gz PGRPCJDNUXPHEP-SFHVURJKSA-N 2 1 350.463 1.636 20 5 FDBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000470008301 993930725 /nfs/dbraw/zinc/93/07/25/993930725.db2.gz JWPQDSMTZGEQHO-LLVKDONJSA-N 2 1 372.372 1.483 20 5 FDBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000470008301 993930728 /nfs/dbraw/zinc/93/07/28/993930728.db2.gz JWPQDSMTZGEQHO-LLVKDONJSA-N 2 1 372.372 1.483 20 5 FDBDMP C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374324473 261110723 /nfs/dbraw/zinc/11/07/23/261110723.db2.gz MHLRKLASDPKIOE-QFBILLFUSA-N 2 1 362.474 1.931 20 5 FDBDMP C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374324473 261110724 /nfs/dbraw/zinc/11/07/24/261110724.db2.gz MHLRKLASDPKIOE-QFBILLFUSA-N 2 1 362.474 1.931 20 5 FDBDMP C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374324475 261110977 /nfs/dbraw/zinc/11/09/77/261110977.db2.gz MHLRKLASDPKIOE-VQIMIIECSA-N 2 1 362.474 1.931 20 5 FDBDMP C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374324475 261110978 /nfs/dbraw/zinc/11/09/78/261110978.db2.gz MHLRKLASDPKIOE-VQIMIIECSA-N 2 1 362.474 1.931 20 5 FDBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162105448 525212985 /nfs/dbraw/zinc/21/29/85/525212985.db2.gz UFMFROONQQAZJD-XJKCOSOUSA-N 2 1 370.475 1.191 20 5 FDBDMP CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)n1 ZINC000191793861 537212619 /nfs/dbraw/zinc/21/26/19/537212619.db2.gz ASXVZYPTNQERPY-AWEZNQCLSA-N 2 1 366.466 1.299 20 5 FDBDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000566116771 547610927 /nfs/dbraw/zinc/61/09/27/547610927.db2.gz QMZRDVNTQUXCDG-HNAYVOBHSA-N 2 1 373.457 1.967 20 5 FDBDMP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000571627961 549712083 /nfs/dbraw/zinc/71/20/83/549712083.db2.gz LWXPYXMXWAZLSS-NVXWUHKLSA-N 2 1 374.441 1.463 20 5 FDBDMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000571627961 549712088 /nfs/dbraw/zinc/71/20/88/549712088.db2.gz LWXPYXMXWAZLSS-NVXWUHKLSA-N 2 1 374.441 1.463 20 5 FDBDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574442918 550314792 /nfs/dbraw/zinc/31/47/92/550314792.db2.gz CUFFDFMIKXVZFD-SFHVURJKSA-N 2 1 361.446 1.782 20 5 FDBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593739243 552188093 /nfs/dbraw/zinc/18/80/93/552188093.db2.gz ZKXGGRZYZOZRJI-CKEIUWERSA-N 2 1 362.430 1.752 20 5 FDBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593739243 552188095 /nfs/dbraw/zinc/18/80/95/552188095.db2.gz ZKXGGRZYZOZRJI-CKEIUWERSA-N 2 1 362.430 1.752 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596065162 552651564 /nfs/dbraw/zinc/65/15/64/552651564.db2.gz FGLQOAPMJCMOKL-HZPDHXFCSA-N 2 1 365.430 1.177 20 5 FDBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000596655049 552697578 /nfs/dbraw/zinc/69/75/78/552697578.db2.gz SJMRZKFFHBJALE-SNVBAGLBSA-N 2 1 360.374 1.056 20 5 FDBDMP COc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597941882 552848723 /nfs/dbraw/zinc/84/87/23/552848723.db2.gz GCUFOSCJQPMZFO-ZDUSSCGKSA-N 2 1 352.435 1.605 20 5 FDBDMP COc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597941882 552848725 /nfs/dbraw/zinc/84/87/25/552848725.db2.gz GCUFOSCJQPMZFO-ZDUSSCGKSA-N 2 1 352.435 1.605 20 5 FDBDMP COC[C@]1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414938290 679374922 /nfs/dbraw/zinc/37/49/22/679374922.db2.gz FAOZWGLKUMOUKJ-SUMWQHHRSA-N 2 1 350.419 1.670 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430567463 681082454 /nfs/dbraw/zinc/08/24/54/681082454.db2.gz DNCGPDGTNLZBHA-STQMWFEESA-N 2 1 350.419 1.991 20 5 FDBDMP Cn1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262113448 774844545 /nfs/dbraw/zinc/84/45/45/774844545.db2.gz KTPWLNXAINYVDA-SFHVURJKSA-N 2 1 370.457 1.475 20 5 FDBDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000378233075 793766469 /nfs/dbraw/zinc/76/64/69/793766469.db2.gz UPNVQSCAPNEECW-RBUKOAKNSA-N 2 1 362.474 1.729 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000261954810 817622253 /nfs/dbraw/zinc/62/22/53/817622253.db2.gz GMPTUKLQFFGRNV-UHFFFAOYSA-N 2 1 363.414 1.722 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879574469 995027646 /nfs/dbraw/zinc/02/76/46/995027646.db2.gz ADTNHELCXLHPBU-CZUORRHYSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879574469 995027657 /nfs/dbraw/zinc/02/76/57/995027657.db2.gz ADTNHELCXLHPBU-CZUORRHYSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574469 995027668 /nfs/dbraw/zinc/02/76/68/995027668.db2.gz ADTNHELCXLHPBU-CZUORRHYSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574469 995027681 /nfs/dbraw/zinc/02/76/81/995027681.db2.gz ADTNHELCXLHPBU-CZUORRHYSA-N 2 1 362.430 1.958 20 5 FDBDMP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931480344 1004195197 /nfs/dbraw/zinc/19/51/97/1004195197.db2.gz ACUFUIVYWIXONP-UHFFFAOYSA-N 2 1 351.403 1.270 20 5 FDBDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367622767 260069608 /nfs/dbraw/zinc/06/96/08/260069608.db2.gz JVXBOJHEQLGJLV-QFBILLFUSA-N 2 1 362.474 1.588 20 5 FDBDMP C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374324469 261110611 /nfs/dbraw/zinc/11/06/11/261110611.db2.gz MHLRKLASDPKIOE-APWZRJJASA-N 2 1 362.474 1.931 20 5 FDBDMP C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374324469 261110613 /nfs/dbraw/zinc/11/06/13/261110613.db2.gz MHLRKLASDPKIOE-APWZRJJASA-N 2 1 362.474 1.931 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)[C@H]1CCC[NH2+]1 ZINC000261796649 537253289 /nfs/dbraw/zinc/25/32/89/537253289.db2.gz ZPBAPICWMOYKHJ-GXTWGEPZSA-N 2 1 352.460 1.737 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)[C@H]1CCC[NH2+]1 ZINC000261796649 537253290 /nfs/dbraw/zinc/25/32/90/537253290.db2.gz ZPBAPICWMOYKHJ-GXTWGEPZSA-N 2 1 352.460 1.737 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415138787 537958321 /nfs/dbraw/zinc/95/83/21/537958321.db2.gz KODYKCOIAGATFK-ZWKOTPCHSA-N 2 1 373.457 1.623 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415138787 537958324 /nfs/dbraw/zinc/95/83/24/537958324.db2.gz KODYKCOIAGATFK-ZWKOTPCHSA-N 2 1 373.457 1.623 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000567678911 548207905 /nfs/dbraw/zinc/20/79/05/548207905.db2.gz DWKRAYWLPWOICD-HKUYNNGSSA-N 2 1 373.457 1.306 20 5 FDBDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000579122372 550838573 /nfs/dbraw/zinc/83/85/73/550838573.db2.gz BMNNGNGCPKDFFX-WBVHZDCISA-N 2 1 373.413 1.973 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581011236 551042842 /nfs/dbraw/zinc/04/28/42/551042842.db2.gz ANMKJPWXYBYFEL-SFHVURJKSA-N 2 1 360.414 1.968 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581011236 551042843 /nfs/dbraw/zinc/04/28/43/551042843.db2.gz ANMKJPWXYBYFEL-SFHVURJKSA-N 2 1 360.414 1.968 20 5 FDBDMP COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597943370 552848998 /nfs/dbraw/zinc/84/89/98/552848998.db2.gz ZSWUSNLFJVUWFT-ZDUSSCGKSA-N 2 1 352.435 1.605 20 5 FDBDMP COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597943370 552848999 /nfs/dbraw/zinc/84/89/99/552848999.db2.gz ZSWUSNLFJVUWFT-ZDUSSCGKSA-N 2 1 352.435 1.605 20 5 FDBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602810764 553642466 /nfs/dbraw/zinc/64/24/66/553642466.db2.gz IUTXHWHTTVEXPN-GOEBONIOSA-N 2 1 353.467 1.826 20 5 FDBDMP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC[NH2+]1 ZINC000414738844 679366993 /nfs/dbraw/zinc/36/69/93/679366993.db2.gz FMAKDTKDTZPMPW-QWHCGFSZSA-N 2 1 352.460 1.802 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420317334 680430643 /nfs/dbraw/zinc/43/06/43/680430643.db2.gz ZJGMLDMRRSNKNZ-UHFFFAOYSA-N 2 1 353.444 1.444 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420317334 680430645 /nfs/dbraw/zinc/43/06/45/680430645.db2.gz ZJGMLDMRRSNKNZ-UHFFFAOYSA-N 2 1 353.444 1.444 20 5 FDBDMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)ncc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684272 719603858 /nfs/dbraw/zinc/60/38/58/719603858.db2.gz OCJHRNDYHYYFSY-UHFFFAOYSA-N 2 1 365.825 1.710 20 5 FDBDMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)ncc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684272 719603872 /nfs/dbraw/zinc/60/38/72/719603872.db2.gz OCJHRNDYHYYFSY-UHFFFAOYSA-N 2 1 365.825 1.710 20 5 FDBDMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420339428 813610675 /nfs/dbraw/zinc/61/06/75/813610675.db2.gz YVPIIRVLKNJLJL-JKSUJKDBSA-N 2 1 358.442 1.805 20 5 FDBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420408699 813656240 /nfs/dbraw/zinc/65/62/40/813656240.db2.gz VBYSABKYCJZTCT-RPVQJOFSSA-N 2 1 373.457 1.876 20 5 FDBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420408699 813656247 /nfs/dbraw/zinc/65/62/47/813656247.db2.gz VBYSABKYCJZTCT-RPVQJOFSSA-N 2 1 373.457 1.876 20 5 FDBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000516625025 816925834 /nfs/dbraw/zinc/92/58/34/816925834.db2.gz NWMQSWQCPDHZJW-UHFFFAOYSA-N 2 1 355.398 1.923 20 5 FDBDMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000474010657 820515890 /nfs/dbraw/zinc/51/58/90/820515890.db2.gz OYURSDPQKHMGDA-OAHLLOKOSA-N 2 1 365.430 1.968 20 5 FDBDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000474010657 820515893 /nfs/dbraw/zinc/51/58/93/820515893.db2.gz OYURSDPQKHMGDA-OAHLLOKOSA-N 2 1 365.430 1.968 20 5 FDBDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818998044 943378176 /nfs/dbraw/zinc/37/81/76/943378176.db2.gz OZPQOKUQBIQIGC-IAGOWNOFSA-N 2 1 364.446 1.161 20 5 FDBDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818998044 943378181 /nfs/dbraw/zinc/37/81/81/943378181.db2.gz OZPQOKUQBIQIGC-IAGOWNOFSA-N 2 1 364.446 1.161 20 5 FDBDMP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000776595812 967349562 /nfs/dbraw/zinc/34/95/62/967349562.db2.gz AYPLAEDWRGWKCM-AYOQOUSVSA-N 2 1 362.474 1.586 20 5 FDBDMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000776595812 967349572 /nfs/dbraw/zinc/34/95/72/967349572.db2.gz AYPLAEDWRGWKCM-AYOQOUSVSA-N 2 1 362.474 1.586 20 5 FDBDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000853685259 968250103 /nfs/dbraw/zinc/25/01/03/968250103.db2.gz FTXFMAYDHGSPJV-AWEZNQCLSA-N 2 1 358.345 1.981 20 5 FDBDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000853685259 968250118 /nfs/dbraw/zinc/25/01/18/968250118.db2.gz FTXFMAYDHGSPJV-AWEZNQCLSA-N 2 1 358.345 1.981 20 5 FDBDMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000371329938 990362043 /nfs/dbraw/zinc/36/20/43/990362043.db2.gz PMOOEELIORGBKN-PBHICJAKSA-N 2 1 363.462 1.349 20 5 FDBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000178667847 258331615 /nfs/dbraw/zinc/33/16/15/258331615.db2.gz MAVIVKLWBFNQAV-KRWDZBQOSA-N 2 1 360.458 1.670 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292274385 537723628 /nfs/dbraw/zinc/72/36/28/537723628.db2.gz ZXCJBPXKUXOYDN-GOSISDBHSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292274385 537723630 /nfs/dbraw/zinc/72/36/30/537723630.db2.gz ZXCJBPXKUXOYDN-GOSISDBHSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292274385 537723634 /nfs/dbraw/zinc/72/36/34/537723634.db2.gz ZXCJBPXKUXOYDN-GOSISDBHSA-N 2 1 362.430 1.960 20 5 FDBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000472283624 538617184 /nfs/dbraw/zinc/61/71/84/538617184.db2.gz QYQODBHEHODWMY-MRXNPFEDSA-N 2 1 364.446 1.626 20 5 FDBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000472283624 538617187 /nfs/dbraw/zinc/61/71/87/538617187.db2.gz QYQODBHEHODWMY-MRXNPFEDSA-N 2 1 364.446 1.626 20 5 FDBDMP COCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000574910511 550391050 /nfs/dbraw/zinc/39/10/50/550391050.db2.gz LZDHKGZMXVQRIB-HOTGVXAUSA-N 2 1 351.451 1.975 20 5 FDBDMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581071599 551049191 /nfs/dbraw/zinc/04/91/91/551049191.db2.gz GWAMOZGAKUDTMO-HOTGVXAUSA-N 2 1 367.446 1.017 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000584463178 551500834 /nfs/dbraw/zinc/50/08/34/551500834.db2.gz VQHIZZVYDYXTIQ-IBGZPJMESA-N 2 1 373.457 1.449 20 5 FDBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593729642 552184620 /nfs/dbraw/zinc/18/46/20/552184620.db2.gz HHONXRVDDQXOHH-XYPHTWIQSA-N 2 1 362.430 1.894 20 5 FDBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593729642 552184622 /nfs/dbraw/zinc/18/46/22/552184622.db2.gz HHONXRVDDQXOHH-XYPHTWIQSA-N 2 1 362.430 1.894 20 5 FDBDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000602877448 553657916 /nfs/dbraw/zinc/65/79/16/553657916.db2.gz NUWXNMJJJCRWAQ-UHFFFAOYSA-N 2 1 358.442 1.902 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415050202 679378668 /nfs/dbraw/zinc/37/86/68/679378668.db2.gz FMTGLIGJKPRRPU-SJKOYZFVSA-N 2 1 351.403 1.563 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415050202 679378671 /nfs/dbraw/zinc/37/86/71/679378671.db2.gz FMTGLIGJKPRRPU-SJKOYZFVSA-N 2 1 351.403 1.563 20 5 FDBDMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430599326 681085397 /nfs/dbraw/zinc/08/53/97/681085397.db2.gz AHDKHKGPVBFWRZ-ZDUSSCGKSA-N 2 1 350.419 1.863 20 5 FDBDMP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000443058050 682224526 /nfs/dbraw/zinc/22/45/26/682224526.db2.gz IYURYCGQCNSLDM-LLVKDONJSA-N 2 1 350.375 1.323 20 5 FDBDMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000443058050 682224529 /nfs/dbraw/zinc/22/45/29/682224529.db2.gz IYURYCGQCNSLDM-LLVKDONJSA-N 2 1 350.375 1.323 20 5 FDBDMP C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000313083278 801259209 /nfs/dbraw/zinc/25/92/09/801259209.db2.gz XCWHMCLRXPXULK-IEZWGBDMSA-N 2 1 373.457 1.652 20 5 FDBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000420350131 813623883 /nfs/dbraw/zinc/62/38/83/813623883.db2.gz RMBOLMGFWJDCLP-OAHLLOKOSA-N 2 1 361.446 1.211 20 5 FDBDMP Cn1cc[nH+]c1N([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001169019313 928240913 /nfs/dbraw/zinc/24/09/13/928240913.db2.gz HPFOOJXOTFEZQD-BZUAXINKSA-N 2 1 363.462 1.583 20 5 FDBDMP COCCN1CCOC[C@]2(CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169022796 928246439 /nfs/dbraw/zinc/24/64/39/928246439.db2.gz SRKYAVAVSQTFOO-RCCFBDPRSA-N 2 1 355.479 1.493 20 5 FDBDMP CN(CCC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000289395620 258819414 /nfs/dbraw/zinc/81/94/14/258819414.db2.gz KNRQERBHLQZMLY-KRWDZBQOSA-N 2 1 368.478 1.150 20 5 FDBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176338564 174066075 /nfs/dbraw/zinc/06/60/75/174066075.db2.gz MQPNXGQQXVRUEX-AWEZNQCLSA-N 2 1 363.462 1.665 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373795337 261041260 /nfs/dbraw/zinc/04/12/60/261041260.db2.gz NGOGMKZRBPHTLP-ZDUSSCGKSA-N 2 1 362.430 1.502 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000114199055 524759467 /nfs/dbraw/zinc/75/94/67/524759467.db2.gz FIFFUBVBTPPMIC-ZDUSSCGKSA-N 2 1 350.419 1.816 20 5 FDBDMP C[C@H]1C[C@H](NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000119835104 525881923 /nfs/dbraw/zinc/88/19/23/525881923.db2.gz FCJJMUVMWFNHFJ-STQMWFEESA-N 2 1 368.459 1.088 20 5 FDBDMP C[C@H]1C[C@H](NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000119835104 525881932 /nfs/dbraw/zinc/88/19/32/525881932.db2.gz FCJJMUVMWFNHFJ-STQMWFEESA-N 2 1 368.459 1.088 20 5 FDBDMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181943416 525992525 /nfs/dbraw/zinc/99/25/25/525992525.db2.gz BMVLXJAJZJTARX-CVEARBPZSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181943416 525992531 /nfs/dbraw/zinc/99/25/31/525992531.db2.gz BMVLXJAJZJTARX-CVEARBPZSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181943416 525992538 /nfs/dbraw/zinc/99/25/38/525992538.db2.gz BMVLXJAJZJTARX-CVEARBPZSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181943416 525992541 /nfs/dbraw/zinc/99/25/41/525992541.db2.gz BMVLXJAJZJTARX-CVEARBPZSA-N 2 1 351.447 1.998 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000394065790 537786785 /nfs/dbraw/zinc/78/67/85/537786785.db2.gz BMHHCSWALLTBHU-GOSISDBHSA-N 2 1 359.430 1.406 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000563149481 546425793 /nfs/dbraw/zinc/42/57/93/546425793.db2.gz DVZRMQIZMPDKPT-CQSZACIVSA-N 2 1 362.430 1.863 20 5 FDBDMP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000571627962 549712119 /nfs/dbraw/zinc/71/21/19/549712119.db2.gz LWXPYXMXWAZLSS-RDJZCZTQSA-N 2 1 374.441 1.463 20 5 FDBDMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000571627962 549712121 /nfs/dbraw/zinc/71/21/21/549712121.db2.gz LWXPYXMXWAZLSS-RDJZCZTQSA-N 2 1 374.441 1.463 20 5 FDBDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000575116520 550428684 /nfs/dbraw/zinc/42/86/84/550428684.db2.gz CPXRKUJDVHFRHO-HOTGVXAUSA-N 2 1 351.447 1.902 20 5 FDBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000583997607 551432208 /nfs/dbraw/zinc/43/22/08/551432208.db2.gz MSPHJBOKPOHVDD-QGZVFWFLSA-N 2 1 371.441 1.772 20 5 FDBDMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC12CCOCC2 ZINC000592433652 551994856 /nfs/dbraw/zinc/99/48/56/551994856.db2.gz NLKXCVMUCMZTDE-CQSZACIVSA-N 2 1 363.414 1.553 20 5 FDBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC12CCOCC2 ZINC000592433652 551994858 /nfs/dbraw/zinc/99/48/58/551994858.db2.gz NLKXCVMUCMZTDE-CQSZACIVSA-N 2 1 363.414 1.553 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736165 552187320 /nfs/dbraw/zinc/18/73/20/552187320.db2.gz IILXGWDFXAZETM-UGSOOPFHSA-N 2 1 362.430 1.993 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335175 553378331 /nfs/dbraw/zinc/37/83/31/553378331.db2.gz RDYWYWBJUIRCOF-DZGCQCFKSA-N 2 1 360.414 1.967 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335175 553378333 /nfs/dbraw/zinc/37/83/33/553378333.db2.gz RDYWYWBJUIRCOF-DZGCQCFKSA-N 2 1 360.414 1.967 20 5 FDBDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000379653563 774046665 /nfs/dbraw/zinc/04/66/65/774046665.db2.gz GFVBWVBCFKAYQH-SZVBFZGTSA-N 2 1 373.457 1.795 20 5 FDBDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000379653563 774046676 /nfs/dbraw/zinc/04/66/76/774046676.db2.gz GFVBWVBCFKAYQH-SZVBFZGTSA-N 2 1 373.457 1.795 20 5 FDBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c([N+](=O)[O-])ncn1C ZINC000431838143 790827153 /nfs/dbraw/zinc/82/71/53/790827153.db2.gz PHWXRMAMCYHCHG-UHFFFAOYSA-N 2 1 364.494 1.961 20 5 FDBDMP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC[C@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000420363665 813627881 /nfs/dbraw/zinc/62/78/81/813627881.db2.gz BSEPEGOCQYVGDQ-CQSZACIVSA-N 2 1 358.446 1.983 20 5 FDBDMP C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CC[NH+](C)CC1 ZINC000894975013 819425056 /nfs/dbraw/zinc/42/50/56/819425056.db2.gz KEGXFUWDKWNTJK-UHFFFAOYSA-N 2 1 370.475 1.147 20 5 FDBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786819960 932052976 /nfs/dbraw/zinc/05/29/76/932052976.db2.gz ROLMMSWFGHURJJ-UHFFFAOYSA-N 2 1 356.386 1.576 20 5 FDBDMP CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)CC[NH2+]C1 ZINC001170520189 940278379 /nfs/dbraw/zinc/27/83/79/940278379.db2.gz DGWIDEHNXNBVFT-UHFFFAOYSA-N 2 1 360.414 1.805 20 5 FDBDMP CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)CC[NH2+]C1 ZINC001170520189 940278383 /nfs/dbraw/zinc/27/83/83/940278383.db2.gz DGWIDEHNXNBVFT-UHFFFAOYSA-N 2 1 360.414 1.805 20 5 FDBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000819218871 943492771 /nfs/dbraw/zinc/49/27/71/943492771.db2.gz MBECWMLZRBKSJJ-UXHICEINSA-N 2 1 371.437 1.985 20 5 FDBDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911955 961850135 /nfs/dbraw/zinc/85/01/35/961850135.db2.gz HMMSZVJTKKSZCB-QZTJIDSGSA-N 2 1 374.485 1.984 20 5 FDBDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911955 961850155 /nfs/dbraw/zinc/85/01/55/961850155.db2.gz HMMSZVJTKKSZCB-QZTJIDSGSA-N 2 1 374.485 1.984 20 5 FDBDMP CCCc1[nH]nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000870022004 985527967 /nfs/dbraw/zinc/52/79/67/985527967.db2.gz MOAQCCNUOHDBPH-CHWSQXEVSA-N 2 1 366.466 1.082 20 5 FDBDMP C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000548935828 542810713 /nfs/dbraw/zinc/81/07/13/542810713.db2.gz ZEFXOTFYBNFOQY-UHFFFAOYSA-N 2 1 360.458 1.812 20 5 FDBDMP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000548935828 542810716 /nfs/dbraw/zinc/81/07/16/542810716.db2.gz ZEFXOTFYBNFOQY-UHFFFAOYSA-N 2 1 360.458 1.812 20 5 FDBDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176222217 525069157 /nfs/dbraw/zinc/06/91/57/525069157.db2.gz ONRWNYRNFYHYOR-IYBDPMFKSA-N 2 1 350.467 1.282 20 5 FDBDMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000161960283 525194698 /nfs/dbraw/zinc/19/46/98/525194698.db2.gz RVOFKDNSFXZBFW-CZUORRHYSA-N 2 1 370.475 1.193 20 5 FDBDMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000109789042 526183894 /nfs/dbraw/zinc/18/38/94/526183894.db2.gz QZSMIIUIEWJMDX-UHFFFAOYSA-N 2 1 360.458 1.971 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000414771445 537904764 /nfs/dbraw/zinc/90/47/64/537904764.db2.gz QYPLATXCUOCKJQ-GASCZTMLSA-N 2 1 363.414 1.578 20 5 FDBDMP COc1ccc(NC(=O)CC[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000420353865 538275048 /nfs/dbraw/zinc/27/50/48/538275048.db2.gz AUWZDLKTSOUMDG-BWACUDIHSA-N 2 1 350.419 1.908 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443061022 538388301 /nfs/dbraw/zinc/38/83/01/538388301.db2.gz QOUCUDUHHZMDJL-CYBMUJFWSA-N 2 1 350.419 1.993 20 5 FDBDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434221 549644403 /nfs/dbraw/zinc/64/44/03/549644403.db2.gz YMHOCTHOTKLGFH-JKSUJKDBSA-N 2 1 367.446 1.425 20 5 FDBDMP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCN2C1=O ZINC000575935564 550492836 /nfs/dbraw/zinc/49/28/36/550492836.db2.gz YUSLBEOZHONXST-HOCLYGCPSA-N 2 1 356.382 1.599 20 5 FDBDMP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCN2C1=O ZINC000575935564 550492838 /nfs/dbraw/zinc/49/28/38/550492838.db2.gz YUSLBEOZHONXST-HOCLYGCPSA-N 2 1 356.382 1.599 20 5 FDBDMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592184796 551954985 /nfs/dbraw/zinc/95/49/85/551954985.db2.gz RINPYDVLZWCCPB-UHFFFAOYSA-N 2 1 362.430 1.720 20 5 FDBDMP [NH3+]C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC12CCOCC2 ZINC000592433651 551994629 /nfs/dbraw/zinc/99/46/29/551994629.db2.gz NLKXCVMUCMZTDE-AWEZNQCLSA-N 2 1 363.414 1.553 20 5 FDBDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC12CCOCC2 ZINC000592433651 551994631 /nfs/dbraw/zinc/99/46/31/551994631.db2.gz NLKXCVMUCMZTDE-AWEZNQCLSA-N 2 1 363.414 1.553 20 5 FDBDMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[C@@H]1[NH3+] ZINC000592489522 552001055 /nfs/dbraw/zinc/00/10/55/552001055.db2.gz YFMQREOIAJCEQX-JSGCOSHPSA-N 2 1 350.419 1.991 20 5 FDBDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000595906284 552631626 /nfs/dbraw/zinc/63/16/26/552631626.db2.gz IUDGIFRMQKTGGR-HZPDHXFCSA-N 2 1 367.446 1.377 20 5 FDBDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000595906284 552631628 /nfs/dbraw/zinc/63/16/28/552631628.db2.gz IUDGIFRMQKTGGR-HZPDHXFCSA-N 2 1 367.446 1.377 20 5 FDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)nc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000596091378 552654242 /nfs/dbraw/zinc/65/42/42/552654242.db2.gz JEKPLCMDOODKPZ-UONOGXRCSA-N 2 1 372.473 2.287 20 5 FDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[NH+](C3CC3)C2)nc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596091378 552654243 /nfs/dbraw/zinc/65/42/43/552654243.db2.gz JEKPLCMDOODKPZ-UONOGXRCSA-N 2 1 372.473 2.287 20 5 FDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[NH+](C3CC3)C2)nc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596091378 552654245 /nfs/dbraw/zinc/65/42/45/552654245.db2.gz JEKPLCMDOODKPZ-UONOGXRCSA-N 2 1 372.473 2.287 20 5 FDBDMP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC[NH2+]1 ZINC000414738838 679367038 /nfs/dbraw/zinc/36/70/38/679367038.db2.gz FMAKDTKDTZPMPW-CHWSQXEVSA-N 2 1 352.460 1.802 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@H]2CN)c([N+](=O)[O-])c1 ZINC000420294098 680427694 /nfs/dbraw/zinc/42/76/94/680427694.db2.gz SJEKRZPUVBZFPB-MLGOLLRUSA-N 2 1 350.419 1.991 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000262043011 774648304 /nfs/dbraw/zinc/64/83/04/774648304.db2.gz YNAKXTVDGAEYFV-KKUMJFAQSA-N 2 1 363.414 1.706 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000262043011 774648312 /nfs/dbraw/zinc/64/83/12/774648312.db2.gz YNAKXTVDGAEYFV-KKUMJFAQSA-N 2 1 363.414 1.706 20 5 FDBDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000378233073 793766236 /nfs/dbraw/zinc/76/62/36/793766236.db2.gz UPNVQSCAPNEECW-MOPGFXCFSA-N 2 1 362.474 1.729 20 5 FDBDMP C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000313083286 801249382 /nfs/dbraw/zinc/24/93/82/801249382.db2.gz XCWHMCLRXPXULK-WDYCEAGBSA-N 2 1 373.457 1.652 20 5 FDBDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000367050777 814269225 /nfs/dbraw/zinc/26/92/25/814269225.db2.gz SIKXMDQJYXXNEU-QGZVFWFLSA-N 2 1 364.494 1.844 20 5 FDBDMP COc1cc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)c([N+](=O)[O-])cc1F ZINC000766064185 883619268 /nfs/dbraw/zinc/61/92/68/883619268.db2.gz LSRAZKOLFCVPRF-HNNXBMFYSA-N 2 1 370.381 1.850 20 5 FDBDMP COc1cc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)c([N+](=O)[O-])cc1F ZINC000766064185 883619277 /nfs/dbraw/zinc/61/92/77/883619277.db2.gz LSRAZKOLFCVPRF-HNNXBMFYSA-N 2 1 370.381 1.850 20 5 FDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000819218502 943493035 /nfs/dbraw/zinc/49/30/35/943493035.db2.gz HSQWJUWVVALIRX-VQTJNVASSA-N 2 1 371.437 1.985 20 5 FDBDMP C[N@@H+]1CC[C@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000879578026 995035585 /nfs/dbraw/zinc/03/55/85/995035585.db2.gz POTUDCDSJWDCRW-DZGCQCFKSA-N 2 1 360.414 1.919 20 5 FDBDMP C[N@H+]1CC[C@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000879578026 995035595 /nfs/dbraw/zinc/03/55/95/995035595.db2.gz POTUDCDSJWDCRW-DZGCQCFKSA-N 2 1 360.414 1.919 20 5 FDBDMP C[NH+]1CC[C@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000879578026 995035601 /nfs/dbraw/zinc/03/56/01/995035601.db2.gz POTUDCDSJWDCRW-DZGCQCFKSA-N 2 1 360.414 1.919 20 5 FDBDMP C[NH+]1CC[C@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000879578026 995035612 /nfs/dbraw/zinc/03/56/12/995035612.db2.gz POTUDCDSJWDCRW-DZGCQCFKSA-N 2 1 360.414 1.919 20 5 FDBDMP CC(C)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CC[NH+](C)CC1 ZINC000879704905 995204033 /nfs/dbraw/zinc/20/40/33/995204033.db2.gz XTCVLYGDTCXVMI-KRWDZBQOSA-N 2 1 353.467 1.452 20 5 FDBDMP C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000880264678 995767367 /nfs/dbraw/zinc/76/73/67/995767367.db2.gz ZGXVAHKXGWDRSF-MAUKXSAKSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000880264678 995767375 /nfs/dbraw/zinc/76/73/75/995767375.db2.gz ZGXVAHKXGWDRSF-MAUKXSAKSA-N 2 1 372.425 1.940 20 5 FDBDMP O=C(CC[NH2+]C[C@H](O)C[NH+]1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000514727341 539018503 /nfs/dbraw/zinc/01/85/03/539018503.db2.gz URJVDZRDKVUPBM-AWEZNQCLSA-N 2 1 350.419 1.360 20 5 FDBDMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000331717475 259215296 /nfs/dbraw/zinc/21/52/96/259215296.db2.gz HDTXIYZXSMIXPL-JKSUJKDBSA-N 2 1 364.494 1.891 20 5 FDBDMP CN1CCN(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374743864 261186487 /nfs/dbraw/zinc/18/64/87/261186487.db2.gz PCRBQJQAAJOSQR-UHFFFAOYSA-N 2 1 350.394 1.472 20 5 FDBDMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC2)C1CC1 ZINC000378354392 262009732 /nfs/dbraw/zinc/00/97/32/262009732.db2.gz GRDPBZGMGHUJLG-HNNXBMFYSA-N 2 1 360.458 1.953 20 5 FDBDMP O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166365522 525581157 /nfs/dbraw/zinc/58/11/57/525581157.db2.gz VLFVTTFXGHEFRP-ZIAGYGMSSA-N 2 1 368.459 1.090 20 5 FDBDMP O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166365522 525581162 /nfs/dbraw/zinc/58/11/62/525581162.db2.gz VLFVTTFXGHEFRP-ZIAGYGMSSA-N 2 1 368.459 1.090 20 5 FDBDMP CN1CCN([C@@H]2CCCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000182903316 535884379 /nfs/dbraw/zinc/88/43/79/535884379.db2.gz JQISUZIPZWCDDT-MOPGFXCFSA-N 2 1 362.474 1.730 20 5 FDBDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000182903316 535884385 /nfs/dbraw/zinc/88/43/85/535884385.db2.gz JQISUZIPZWCDDT-MOPGFXCFSA-N 2 1 362.474 1.730 20 5 FDBDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000182903316 535884387 /nfs/dbraw/zinc/88/43/87/535884387.db2.gz JQISUZIPZWCDDT-MOPGFXCFSA-N 2 1 362.474 1.730 20 5 FDBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000190002048 537126420 /nfs/dbraw/zinc/12/64/20/537126420.db2.gz VMMMGYNERUFZEJ-WBVHZDCISA-N 2 1 366.462 1.483 20 5 FDBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000248453425 537184336 /nfs/dbraw/zinc/18/43/36/537184336.db2.gz JZKCXTCAGQWAAC-OAGGEKHMSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000248453425 537184337 /nfs/dbraw/zinc/18/43/37/537184337.db2.gz JZKCXTCAGQWAAC-OAGGEKHMSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000248453425 537184338 /nfs/dbraw/zinc/18/43/38/537184338.db2.gz JZKCXTCAGQWAAC-OAGGEKHMSA-N 2 1 351.447 1.997 20 5 FDBDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111915 548801284 /nfs/dbraw/zinc/80/12/84/548801284.db2.gz DUGMGFXMYFVWLL-DOTOQJQBSA-N 2 1 367.446 1.425 20 5 FDBDMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000571198696 549562426 /nfs/dbraw/zinc/56/24/26/549562426.db2.gz VKMMQWUAQJXVHY-OAHLLOKOSA-N 2 1 353.419 1.035 20 5 FDBDMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])cc1OC ZINC000574400596 550308791 /nfs/dbraw/zinc/30/87/91/550308791.db2.gz SGNRROOKTKBXTO-AWEZNQCLSA-N 2 1 365.430 1.799 20 5 FDBDMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])cc1OC ZINC000574400596 550308792 /nfs/dbraw/zinc/30/87/92/550308792.db2.gz SGNRROOKTKBXTO-AWEZNQCLSA-N 2 1 365.430 1.799 20 5 FDBDMP COC(=O)COc1ccc(CNC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994381 552955654 /nfs/dbraw/zinc/95/56/54/552955654.db2.gz LQRQQIOXJRTCFU-OAHLLOKOSA-N 2 1 365.430 1.968 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994381 552955655 /nfs/dbraw/zinc/95/56/55/552955655.db2.gz LQRQQIOXJRTCFU-OAHLLOKOSA-N 2 1 365.430 1.968 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994381 552955656 /nfs/dbraw/zinc/95/56/56/552955656.db2.gz LQRQQIOXJRTCFU-OAHLLOKOSA-N 2 1 365.430 1.968 20 5 FDBDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000602878871 553658443 /nfs/dbraw/zinc/65/84/43/553658443.db2.gz ZTJAXUIJCIRIOO-UHFFFAOYSA-N 2 1 358.442 1.902 20 5 FDBDMP C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC[NH2+]1 ZINC000414738841 679367060 /nfs/dbraw/zinc/36/70/60/679367060.db2.gz FMAKDTKDTZPMPW-OLZOCXBDSA-N 2 1 352.460 1.802 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430540757 681080512 /nfs/dbraw/zinc/08/05/12/681080512.db2.gz AMZOSJXPQNJOEA-STQMWFEESA-N 2 1 350.419 1.991 20 5 FDBDMP Cc1c(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000261864087 774526058 /nfs/dbraw/zinc/52/60/58/774526058.db2.gz NLVPXLNHDBAJJZ-RDJZCZTQSA-N 2 1 360.458 1.983 20 5 FDBDMP O=C([C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1 ZINC000430610010 777043220 /nfs/dbraw/zinc/04/32/20/777043220.db2.gz JIVKXGOAKGVDTG-HNNXBMFYSA-N 2 1 362.430 1.117 20 5 FDBDMP Cn1ccnc1[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423194365 814997381 /nfs/dbraw/zinc/99/73/81/814997381.db2.gz XWWPUXUEYOKWLO-KRWDZBQOSA-N 2 1 358.446 1.303 20 5 FDBDMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420339426 813610388 /nfs/dbraw/zinc/61/03/88/813610388.db2.gz YVPIIRVLKNJLJL-HOTGVXAUSA-N 2 1 358.442 1.805 20 5 FDBDMP C[N@@H+]1CC[C@]2(CC[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000428998792 879444128 /nfs/dbraw/zinc/44/41/28/879444128.db2.gz KQEYTWHAIWFWEO-SFHVURJKSA-N 2 1 360.414 1.920 20 5 FDBDMP C[N@H+]1CC[C@]2(CC[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000428998792 879444134 /nfs/dbraw/zinc/44/41/34/879444134.db2.gz KQEYTWHAIWFWEO-SFHVURJKSA-N 2 1 360.414 1.920 20 5 FDBDMP C[NH+]1CC[C@]2(CC[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000428998792 879444148 /nfs/dbraw/zinc/44/41/48/879444148.db2.gz KQEYTWHAIWFWEO-SFHVURJKSA-N 2 1 360.414 1.920 20 5 FDBDMP C[NH+]1CC[C@]2(CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000428998792 879444164 /nfs/dbraw/zinc/44/41/64/879444164.db2.gz KQEYTWHAIWFWEO-SFHVURJKSA-N 2 1 360.414 1.920 20 5 FDBDMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168978281 928204623 /nfs/dbraw/zinc/20/46/23/928204623.db2.gz QRZXXJMCAYSMLS-KBPBESRZSA-N 2 1 356.467 1.750 20 5 FDBDMP CN(CC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000776592922 967278205 /nfs/dbraw/zinc/27/82/05/967278205.db2.gz CUIRSRNTSKGALE-SFHVURJKSA-N 2 1 350.463 1.586 20 5 FDBDMP C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000362280579 988622050 /nfs/dbraw/zinc/62/20/50/988622050.db2.gz JOGJRVHWDCKWQC-SUMWQHHRSA-N 2 1 355.398 1.947 20 5 FDBDMP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880261552 995764351 /nfs/dbraw/zinc/76/43/51/995764351.db2.gz WKEYNMKMILRNTG-NVXWUHKLSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880261552 995764357 /nfs/dbraw/zinc/76/43/57/995764357.db2.gz WKEYNMKMILRNTG-NVXWUHKLSA-N 2 1 372.425 1.940 20 5 FDBDMP C[NH+]1CCN(c2ncc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000134285112 173321675 /nfs/dbraw/zinc/32/16/75/173321675.db2.gz NNCAJNMRABCJBS-UHFFFAOYSA-N 2 1 356.430 1.469 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414827537 537922509 /nfs/dbraw/zinc/92/25/09/537922509.db2.gz XSZOHGHUUNONLH-JSGCOSHPSA-N 2 1 351.403 1.624 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000567891251 548311485 /nfs/dbraw/zinc/31/14/85/548311485.db2.gz STAVCAKMNUUAPG-NWANDNLSSA-N 2 1 362.430 1.991 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000571802022 549769057 /nfs/dbraw/zinc/76/90/57/549769057.db2.gz JTURPDHAUBTZJQ-NWANDNLSSA-N 2 1 362.430 1.991 20 5 FDBDMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000580217303 550956198 /nfs/dbraw/zinc/95/61/98/550956198.db2.gz ZWJZLUZSGJINQY-HUUCEWRRSA-N 2 1 371.397 1.036 20 5 FDBDMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000580217303 550956200 /nfs/dbraw/zinc/95/62/00/550956200.db2.gz ZWJZLUZSGJINQY-HUUCEWRRSA-N 2 1 371.397 1.036 20 5 FDBDMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581071598 551049186 /nfs/dbraw/zinc/04/91/86/551049186.db2.gz GWAMOZGAKUDTMO-CVEARBPZSA-N 2 1 367.446 1.017 20 5 FDBDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593468670 552113567 /nfs/dbraw/zinc/11/35/67/552113567.db2.gz WSPIKPJEHVHGEN-UHFFFAOYSA-N 2 1 366.437 1.761 20 5 FDBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000596654393 552697573 /nfs/dbraw/zinc/69/75/73/552697573.db2.gz NTUCFSOXYYSPLO-SNVBAGLBSA-N 2 1 360.374 1.056 20 5 FDBDMP COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597941727 552848367 /nfs/dbraw/zinc/84/83/67/552848367.db2.gz DAMSQJWWXIWMBB-ZDUSSCGKSA-N 2 1 352.435 1.605 20 5 FDBDMP COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597941727 552848368 /nfs/dbraw/zinc/84/83/68/552848368.db2.gz DAMSQJWWXIWMBB-ZDUSSCGKSA-N 2 1 352.435 1.605 20 5 FDBDMP COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000597943335 552849166 /nfs/dbraw/zinc/84/91/66/552849166.db2.gz YIQJHYOZRAGETG-LBPRGKRZSA-N 2 1 370.425 1.744 20 5 FDBDMP COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000597943335 552849167 /nfs/dbraw/zinc/84/91/67/552849167.db2.gz YIQJHYOZRAGETG-LBPRGKRZSA-N 2 1 370.425 1.744 20 5 FDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000602797413 553640929 /nfs/dbraw/zinc/64/09/29/553640929.db2.gz IRIXLBXVOMZFCQ-HOCLYGCPSA-N 2 1 350.467 1.058 20 5 FDBDMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422933537 680766313 /nfs/dbraw/zinc/76/63/13/680766313.db2.gz HZOXMIMCYMBBTC-GJZGRUSLSA-N 2 1 356.448 1.123 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430540151 681080327 /nfs/dbraw/zinc/08/03/27/681080327.db2.gz GLBBGLCIDOSTSF-OLZOCXBDSA-N 2 1 350.419 1.991 20 5 FDBDMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420339427 813610842 /nfs/dbraw/zinc/61/08/42/813610842.db2.gz YVPIIRVLKNJLJL-HZPDHXFCSA-N 2 1 358.442 1.805 20 5 FDBDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367110222 814328456 /nfs/dbraw/zinc/32/84/56/814328456.db2.gz LTQUWHUAJNHOAH-KRWDZBQOSA-N 2 1 362.474 1.933 20 5 FDBDMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169029015 928227297 /nfs/dbraw/zinc/22/72/97/928227297.db2.gz TVXTXKXZWMPMID-JKSUJKDBSA-N 2 1 374.489 1.074 20 5 FDBDMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169029015 928227306 /nfs/dbraw/zinc/22/73/06/928227306.db2.gz TVXTXKXZWMPMID-JKSUJKDBSA-N 2 1 374.489 1.074 20 5 FDBDMP C[NH+](C)CCOCc1ncn2c1C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169021911 928244399 /nfs/dbraw/zinc/24/43/99/928244399.db2.gz BBRYGUTXXMIGSD-HOTGVXAUSA-N 2 1 365.478 1.612 20 5 FDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)C2)c1 ZINC000877624816 993389448 /nfs/dbraw/zinc/38/94/48/993389448.db2.gz SITCRGLZVXFSBK-TVPLGVNVSA-N 2 1 371.441 1.851 20 5 FDBDMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000331717474 259215343 /nfs/dbraw/zinc/21/53/43/259215343.db2.gz HDTXIYZXSMIXPL-HZPDHXFCSA-N 2 1 364.494 1.891 20 5 FDBDMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000182186582 526086926 /nfs/dbraw/zinc/08/69/26/526086926.db2.gz JZKCXTCAGQWAAC-OWCLPIDISA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000182186582 526086930 /nfs/dbraw/zinc/08/69/30/526086930.db2.gz JZKCXTCAGQWAAC-OWCLPIDISA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000182186582 526086937 /nfs/dbraw/zinc/08/69/37/526086937.db2.gz JZKCXTCAGQWAAC-OWCLPIDISA-N 2 1 351.447 1.997 20 5 FDBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000183147896 535928413 /nfs/dbraw/zinc/92/84/13/535928413.db2.gz KMEDVFDGPMFCPM-FZKQIMNGSA-N 2 1 370.413 1.997 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000414962293 537943271 /nfs/dbraw/zinc/94/32/71/537943271.db2.gz CEFDPFOBPRDRKD-HNNXBMFYSA-N 2 1 351.403 1.624 20 5 FDBDMP O=C1N[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420397456 538285960 /nfs/dbraw/zinc/28/59/60/538285960.db2.gz FMMPYLLLQLWILG-MSOLQXFVSA-N 2 1 373.457 1.357 20 5 FDBDMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1[NH3+] ZINC000592487882 552000572 /nfs/dbraw/zinc/00/05/72/552000572.db2.gz AELBKEZACGNJNY-TZMCWYRMSA-N 2 1 350.419 1.991 20 5 FDBDMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489196 552001010 /nfs/dbraw/zinc/00/10/10/552001010.db2.gz SKXPKQPFPUPUGF-TZMCWYRMSA-N 2 1 350.419 1.991 20 5 FDBDMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595904619 552631343 /nfs/dbraw/zinc/63/13/43/552631343.db2.gz IWEBYYVLOIDRGX-AEFFLSMTSA-N 2 1 367.446 1.377 20 5 FDBDMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595904619 552631345 /nfs/dbraw/zinc/63/13/45/552631345.db2.gz IWEBYYVLOIDRGX-AEFFLSMTSA-N 2 1 367.446 1.377 20 5 FDBDMP O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000595904904 552631504 /nfs/dbraw/zinc/63/15/04/552631504.db2.gz FJEIETBBIROXNN-UHFFFAOYSA-N 2 1 373.461 1.861 20 5 FDBDMP COc1ccc(NC(=O)CC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000600745357 553310398 /nfs/dbraw/zinc/31/03/98/553310398.db2.gz FPEDPFJCYXPATN-HDICACEKSA-N 2 1 362.430 1.863 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000600745357 553310400 /nfs/dbraw/zinc/31/04/00/553310400.db2.gz FPEDPFJCYXPATN-HDICACEKSA-N 2 1 362.430 1.863 20 5 FDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602783304 553637990 /nfs/dbraw/zinc/63/79/90/553637990.db2.gz KQWABUSKOUFKAR-MRXNPFEDSA-N 2 1 350.467 1.200 20 5 FDBDMP O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](C3CC3)C2)nc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000603279179 553751969 /nfs/dbraw/zinc/75/19/69/553751969.db2.gz PBPYCGAFNFKORA-QWHCGFSZSA-N 2 1 373.461 1.682 20 5 FDBDMP O=[N+]([O-])c1cnc(N[C@@H]2CC[NH+](C3CC3)C2)nc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000603279179 553751971 /nfs/dbraw/zinc/75/19/71/553751971.db2.gz PBPYCGAFNFKORA-QWHCGFSZSA-N 2 1 373.461 1.682 20 5 FDBDMP O=[N+]([O-])c1cnc(N[C@@H]2CC[NH+](C3CC3)C2)nc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000603279179 553751974 /nfs/dbraw/zinc/75/19/74/553751974.db2.gz PBPYCGAFNFKORA-QWHCGFSZSA-N 2 1 373.461 1.682 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261992526 672707887 /nfs/dbraw/zinc/70/78/87/672707887.db2.gz SOCBETWJPXPKIM-CYBMUJFWSA-N 2 1 351.403 1.707 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420363760 680436901 /nfs/dbraw/zinc/43/69/01/680436901.db2.gz JRIHELUNPKQSIT-NVGCLXPQSA-N 2 1 350.419 1.908 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420419239 680443597 /nfs/dbraw/zinc/44/35/97/680443597.db2.gz XKEIEBTZBZOLAC-STQMWFEESA-N 2 1 350.419 1.849 20 5 FDBDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000364348089 795789505 /nfs/dbraw/zinc/78/95/05/795789505.db2.gz QDVKIWPZJVQKBA-OIISXLGYSA-N 2 1 364.446 1.236 20 5 FDBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCCN1CC[NH+](C)CC1 ZINC000492806029 870380849 /nfs/dbraw/zinc/38/08/49/870380849.db2.gz HPKUSRNGDMKDIC-UHFFFAOYSA-N 2 1 363.462 1.411 20 5 FDBDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049605 928255409 /nfs/dbraw/zinc/25/54/09/928255409.db2.gz WUGNHGOFIQXCHW-ZMSDIMECSA-N 2 1 353.463 1.781 20 5 FDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)c1 ZINC001176880125 963584793 /nfs/dbraw/zinc/58/47/93/963584793.db2.gz RWQRRQJPYJRXNO-GOSISDBHSA-N 2 1 363.458 1.941 20 5 FDBDMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870895598 986470299 /nfs/dbraw/zinc/47/02/99/986470299.db2.gz KWMBZKNYHVSHFO-KXBFYZLASA-N 2 1 360.458 1.959 20 5 FDBDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870895598 986470303 /nfs/dbraw/zinc/47/03/03/986470303.db2.gz KWMBZKNYHVSHFO-KXBFYZLASA-N 2 1 360.458 1.959 20 5 FDBDMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000371329941 990362373 /nfs/dbraw/zinc/36/23/73/990362373.db2.gz PMOOEELIORGBKN-YOEHRIQHSA-N 2 1 363.462 1.349 20 5 FDBDMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@]2(C)C1 ZINC000933737862 1005625173 /nfs/dbraw/zinc/62/51/73/1005625173.db2.gz TVNFUGUCAYHPPQ-PXAZEXFGSA-N 2 1 350.394 1.946 20 5 FDBDMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@]2(C)C1 ZINC000933737862 1005625175 /nfs/dbraw/zinc/62/51/75/1005625175.db2.gz TVNFUGUCAYHPPQ-PXAZEXFGSA-N 2 1 350.394 1.946 20 5 FDBDMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@]2(C)C1 ZINC000933737862 1005625177 /nfs/dbraw/zinc/62/51/77/1005625177.db2.gz TVNFUGUCAYHPPQ-PXAZEXFGSA-N 2 1 350.394 1.946 20 5 FDBDMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@]2(C)C1 ZINC000933737862 1005625180 /nfs/dbraw/zinc/62/51/80/1005625180.db2.gz TVNFUGUCAYHPPQ-PXAZEXFGSA-N 2 1 350.394 1.946 20 5 FDBDMP CN1CCN([C@H]2CCCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000245520563 178363663 /nfs/dbraw/zinc/36/36/63/178363663.db2.gz JQISUZIPZWCDDT-RBUKOAKNSA-N 2 1 362.474 1.730 20 5 FDBDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000245520563 178363666 /nfs/dbraw/zinc/36/36/66/178363666.db2.gz JQISUZIPZWCDDT-RBUKOAKNSA-N 2 1 362.474 1.730 20 5 FDBDMP C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369270414 260326913 /nfs/dbraw/zinc/32/69/13/260326913.db2.gz YNQYRARDNJZSGL-LPHOPBHVSA-N 2 1 362.474 1.931 20 5 FDBDMP C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369270414 260326915 /nfs/dbraw/zinc/32/69/15/260326915.db2.gz YNQYRARDNJZSGL-LPHOPBHVSA-N 2 1 362.474 1.931 20 5 FDBDMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248440590 537182175 /nfs/dbraw/zinc/18/21/75/537182175.db2.gz DCMZEPUSDKAEIZ-JKSUJKDBSA-N 2 1 351.447 1.998 20 5 FDBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248440590 537182177 /nfs/dbraw/zinc/18/21/77/537182177.db2.gz DCMZEPUSDKAEIZ-JKSUJKDBSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245420983 537656923 /nfs/dbraw/zinc/65/69/23/537656923.db2.gz HSMKFRUONMAIGQ-DOTOQJQBSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245420983 537656929 /nfs/dbraw/zinc/65/69/29/537656929.db2.gz HSMKFRUONMAIGQ-DOTOQJQBSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245420983 537656932 /nfs/dbraw/zinc/65/69/32/537656932.db2.gz HSMKFRUONMAIGQ-DOTOQJQBSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245420983 537656937 /nfs/dbraw/zinc/65/69/37/537656937.db2.gz HSMKFRUONMAIGQ-DOTOQJQBSA-N 2 1 351.447 1.998 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415138780 537958280 /nfs/dbraw/zinc/95/82/80/537958280.db2.gz KODYKCOIAGATFK-QZTJIDSGSA-N 2 1 373.457 1.623 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415138780 537958288 /nfs/dbraw/zinc/95/82/88/537958288.db2.gz KODYKCOIAGATFK-QZTJIDSGSA-N 2 1 373.457 1.623 20 5 FDBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000472283622 538617881 /nfs/dbraw/zinc/61/78/81/538617881.db2.gz QYQODBHEHODWMY-INIZCTEOSA-N 2 1 364.446 1.626 20 5 FDBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000472283622 538617893 /nfs/dbraw/zinc/61/78/93/538617893.db2.gz QYQODBHEHODWMY-INIZCTEOSA-N 2 1 364.446 1.626 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000567891249 548311322 /nfs/dbraw/zinc/31/13/22/548311322.db2.gz STAVCAKMNUUAPG-AEGPPILISA-N 2 1 362.430 1.991 20 5 FDBDMP [NH3+]CCOCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000567897028 548314954 /nfs/dbraw/zinc/31/49/54/548314954.db2.gz YPNPYLHQRCAHLQ-UHFFFAOYSA-N 2 1 362.352 1.711 20 5 FDBDMP Cc1[nH+]ccn1CCCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591742316 551905370 /nfs/dbraw/zinc/90/53/70/551905370.db2.gz MCJZRDRRNSLBOL-UHFFFAOYSA-N 2 1 366.443 1.943 20 5 FDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602783301 553637651 /nfs/dbraw/zinc/63/76/51/553637651.db2.gz KQWABUSKOUFKAR-INIZCTEOSA-N 2 1 350.467 1.200 20 5 FDBDMP COc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000282278615 675618275 /nfs/dbraw/zinc/61/82/75/675618275.db2.gz IBUAVQYJPFUTFG-UHFFFAOYSA-N 2 1 352.435 1.425 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261910594 774546746 /nfs/dbraw/zinc/54/67/46/774546746.db2.gz SZCLEUHZTMZRAL-WMZOPIPTSA-N 2 1 360.458 1.718 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000261971896 774602643 /nfs/dbraw/zinc/60/26/43/774602643.db2.gz QKUYFKOQHPFEGS-YIONKMFJSA-N 2 1 363.414 1.861 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000261971896 774602646 /nfs/dbraw/zinc/60/26/46/774602646.db2.gz QKUYFKOQHPFEGS-YIONKMFJSA-N 2 1 363.414 1.861 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340497 813610760 /nfs/dbraw/zinc/61/07/60/813610760.db2.gz PNZKEYFGKBBVDS-OKILXGFUSA-N 2 1 362.430 1.863 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000474348123 822727058 /nfs/dbraw/zinc/72/70/58/822727058.db2.gz UBNCVDSCZDOBDT-AWEZNQCLSA-N 2 1 363.414 1.721 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000474348123 822727059 /nfs/dbraw/zinc/72/70/59/822727059.db2.gz UBNCVDSCZDOBDT-AWEZNQCLSA-N 2 1 363.414 1.721 20 5 FDBDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451543190 830392833 /nfs/dbraw/zinc/39/28/33/830392833.db2.gz BGDVHFQKMTWNRE-QGZVFWFLSA-N 2 1 360.458 1.938 20 5 FDBDMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451543190 830392838 /nfs/dbraw/zinc/39/28/38/830392838.db2.gz BGDVHFQKMTWNRE-QGZVFWFLSA-N 2 1 360.458 1.938 20 5 FDBDMP COCC[NH2+]C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000846221711 950728381 /nfs/dbraw/zinc/72/83/81/950728381.db2.gz CQGHBEBFLGYJPJ-UHFFFAOYSA-N 2 1 368.409 1.763 20 5 FDBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CC[NH+](CCO)CC2)c1F ZINC001173189030 961956749 /nfs/dbraw/zinc/95/67/49/961956749.db2.gz NBDVOCQVWVJGPG-LBPRGKRZSA-N 2 1 355.410 1.720 20 5 FDBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000872255032 987546326 /nfs/dbraw/zinc/54/63/26/987546326.db2.gz OUWZGFKFYOYYNJ-AXZRAXCBSA-N 2 1 358.398 1.475 20 5 FDBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000872255032 987546331 /nfs/dbraw/zinc/54/63/31/987546331.db2.gz OUWZGFKFYOYYNJ-AXZRAXCBSA-N 2 1 358.398 1.475 20 5 FDBDMP COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000469998251 993927999 /nfs/dbraw/zinc/92/79/99/993927999.db2.gz FFJPHQAXIKRANJ-OAHLLOKOSA-N 2 1 362.430 1.247 20 5 FDBDMP C[N@H+]1CC[C@@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]2C1 ZINC000931437547 1004161498 /nfs/dbraw/zinc/16/14/98/1004161498.db2.gz LHMJOWZADVIHSV-KGLIPLIRSA-N 2 1 360.414 1.776 20 5 FDBDMP C[NH+]1CC[C@@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]2C1 ZINC000931437547 1004161511 /nfs/dbraw/zinc/16/15/11/1004161511.db2.gz LHMJOWZADVIHSV-KGLIPLIRSA-N 2 1 360.414 1.776 20 5 FDBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]2C1 ZINC000931437547 1004161517 /nfs/dbraw/zinc/16/15/17/1004161517.db2.gz LHMJOWZADVIHSV-KGLIPLIRSA-N 2 1 360.414 1.776 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740471 1005626309 /nfs/dbraw/zinc/62/63/09/1005626309.db2.gz NXXFCHAHPQABJM-SCLBCKFNSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740471 1005626310 /nfs/dbraw/zinc/62/63/10/1005626310.db2.gz NXXFCHAHPQABJM-SCLBCKFNSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933740471 1005626313 /nfs/dbraw/zinc/62/63/13/1005626313.db2.gz NXXFCHAHPQABJM-SCLBCKFNSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933740471 1005626317 /nfs/dbraw/zinc/62/63/17/1005626317.db2.gz NXXFCHAHPQABJM-SCLBCKFNSA-N 2 1 362.430 1.816 20 5 FDBDMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533434949 540246695 /nfs/dbraw/zinc/24/66/95/540246695.db2.gz CODPORMDAROQBK-UHFFFAOYSA-N 2 1 364.446 1.702 20 5 FDBDMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533434949 540246697 /nfs/dbraw/zinc/24/66/97/540246697.db2.gz CODPORMDAROQBK-UHFFFAOYSA-N 2 1 364.446 1.702 20 5 FDBDMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000075677069 172094098 /nfs/dbraw/zinc/09/40/98/172094098.db2.gz MNHKCOTZJSUDPR-AEFFLSMTSA-N 2 1 365.478 1.596 20 5 FDBDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000075677069 172094100 /nfs/dbraw/zinc/09/41/00/172094100.db2.gz MNHKCOTZJSUDPR-AEFFLSMTSA-N 2 1 365.478 1.596 20 5 FDBDMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000076003159 172100820 /nfs/dbraw/zinc/10/08/20/172100820.db2.gz SACQALQOVPXZLZ-RDJZCZTQSA-N 2 1 351.447 1.998 20 5 FDBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000076003159 172100821 /nfs/dbraw/zinc/10/08/21/172100821.db2.gz SACQALQOVPXZLZ-RDJZCZTQSA-N 2 1 351.447 1.998 20 5 FDBDMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000161960148 525194892 /nfs/dbraw/zinc/19/48/92/525194892.db2.gz RVOFKDNSFXZBFW-CJNGLKHVSA-N 2 1 370.475 1.193 20 5 FDBDMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000162103064 525214168 /nfs/dbraw/zinc/21/41/68/525214168.db2.gz BFNUXFZCUIRKCM-CJNGLKHVSA-N 2 1 370.475 1.193 20 5 FDBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000101518422 525223543 /nfs/dbraw/zinc/22/35/43/525223543.db2.gz DAOVUHSMXJWDTK-CQSZACIVSA-N 2 1 366.466 1.125 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000156393889 526126750 /nfs/dbraw/zinc/12/67/50/526126750.db2.gz MJLKMHXGHOBVRW-QAPCUYQASA-N 2 1 359.382 1.883 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](Oc3ccncc3)C2)c1 ZINC000156393889 526126757 /nfs/dbraw/zinc/12/67/57/526126757.db2.gz MJLKMHXGHOBVRW-QAPCUYQASA-N 2 1 359.382 1.883 20 5 FDBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430560818 538393892 /nfs/dbraw/zinc/39/38/92/538393892.db2.gz XMSBQUYLXLNXTH-CYBMUJFWSA-N 2 1 350.419 1.752 20 5 FDBDMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000563433165 546534130 /nfs/dbraw/zinc/53/41/30/546534130.db2.gz QYYJXEIEYKLYNJ-GDBMZVCRSA-N 2 1 356.382 1.599 20 5 FDBDMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000563433165 546534133 /nfs/dbraw/zinc/53/41/33/546534133.db2.gz QYYJXEIEYKLYNJ-GDBMZVCRSA-N 2 1 356.382 1.599 20 5 FDBDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434219 549644565 /nfs/dbraw/zinc/64/45/65/549644565.db2.gz YMHOCTHOTKLGFH-HOTGVXAUSA-N 2 1 367.446 1.425 20 5 FDBDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000593728989 552184579 /nfs/dbraw/zinc/18/45/79/552184579.db2.gz CGTLUMLJYLIWKX-UGSOOPFHSA-N 2 1 360.414 1.954 20 5 FDBDMP CC(C)c1n[nH]c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597941890 552848703 /nfs/dbraw/zinc/84/87/03/552848703.db2.gz GHDLJRBWPUGWQI-LBPRGKRZSA-N 2 1 354.455 1.443 20 5 FDBDMP CC(C)c1n[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597941890 552848705 /nfs/dbraw/zinc/84/87/05/552848705.db2.gz GHDLJRBWPUGWQI-LBPRGKRZSA-N 2 1 354.455 1.443 20 5 FDBDMP CN(C(=O)C[NH+]1CCC(OCCC[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430573181 681082893 /nfs/dbraw/zinc/08/28/93/681082893.db2.gz LCMNQKFVYVCWSU-UHFFFAOYSA-N 2 1 350.419 1.387 20 5 FDBDMP [NH3+]CCCOC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000430567651 776037994 /nfs/dbraw/zinc/03/79/94/776037994.db2.gz JHOPBDSSSLHDNR-UHFFFAOYSA-N 2 1 361.402 1.975 20 5 FDBDMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000892562287 787311494 /nfs/dbraw/zinc/31/14/94/787311494.db2.gz AREDKMXHBHPBCY-UHFFFAOYSA-N 2 1 366.462 1.816 20 5 FDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000819218504 943492891 /nfs/dbraw/zinc/49/28/91/943492891.db2.gz HSQWJUWVVALIRX-WOJBJXKFSA-N 2 1 371.437 1.985 20 5 FDBDMP CCO[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C[NH3+] ZINC000846226114 950737713 /nfs/dbraw/zinc/73/77/13/950737713.db2.gz IDPIQICDDSMSET-IAQYHMDHSA-N 2 1 354.382 1.358 20 5 FDBDMP CC(C)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CC[NH+](C)CC1 ZINC000879704906 995203754 /nfs/dbraw/zinc/20/37/54/995203754.db2.gz XTCVLYGDTCXVMI-QGZVFWFLSA-N 2 1 353.467 1.452 20 5 FDBDMP C[C@@H]1C[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000178001110 174167583 /nfs/dbraw/zinc/16/75/83/174167583.db2.gz OEEPRXLAJBGUBX-CHWSQXEVSA-N 2 1 368.459 1.088 20 5 FDBDMP C[C@@H]1C[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000178001110 174167584 /nfs/dbraw/zinc/16/75/84/174167584.db2.gz OEEPRXLAJBGUBX-CHWSQXEVSA-N 2 1 368.459 1.088 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414827541 537922433 /nfs/dbraw/zinc/92/24/33/537922433.db2.gz XSZOHGHUUNONLH-TZMCWYRMSA-N 2 1 351.403 1.624 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000566529274 547795063 /nfs/dbraw/zinc/79/50/63/547795063.db2.gz HNWSTRQCOZCNDG-HNNXBMFYSA-N 2 1 365.430 1.967 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000566529274 547795066 /nfs/dbraw/zinc/79/50/66/547795066.db2.gz HNWSTRQCOZCNDG-HNNXBMFYSA-N 2 1 365.430 1.967 20 5 FDBDMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000571208993 549565788 /nfs/dbraw/zinc/56/57/88/549565788.db2.gz KYNCZZIFAVZQJI-DLBZAZTESA-N 2 1 367.446 1.017 20 5 FDBDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000579222542 550848893 /nfs/dbraw/zinc/84/88/93/550848893.db2.gz XYOFHAHFXSHOCB-UXLLHSPISA-N 2 1 353.467 1.500 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000596361499 552675476 /nfs/dbraw/zinc/67/54/76/552675476.db2.gz UNGMVDNCUJJLKE-NSHDSACASA-N 2 1 374.283 1.858 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000596361499 552675477 /nfs/dbraw/zinc/67/54/77/552675477.db2.gz UNGMVDNCUJJLKE-NSHDSACASA-N 2 1 374.283 1.858 20 5 FDBDMP Cc1nn(C)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000604385473 553871133 /nfs/dbraw/zinc/87/11/33/553871133.db2.gz XMGPTOJAPUIOMX-UHFFFAOYSA-N 2 1 359.390 1.036 20 5 FDBDMP Cc1n[nH]c(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000610244519 554477666 /nfs/dbraw/zinc/47/76/66/554477666.db2.gz QMHFHDAZUWTCOI-UHFFFAOYSA-N 2 1 364.450 1.306 20 5 FDBDMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422949777 680767679 /nfs/dbraw/zinc/76/76/79/680767679.db2.gz WIPJZXYPMHSVMN-LSDHHAIUSA-N 2 1 356.448 1.123 20 5 FDBDMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422983030 680769693 /nfs/dbraw/zinc/76/96/93/680769693.db2.gz SGHBYQSFDMPYIU-CHWSQXEVSA-N 2 1 356.448 1.123 20 5 FDBDMP O=C([C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CC[NH2+]CC1 ZINC000470002162 684998359 /nfs/dbraw/zinc/99/83/59/684998359.db2.gz HEFDDJXAXFSJNL-AWEZNQCLSA-N 2 1 366.849 1.892 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347683 813613249 /nfs/dbraw/zinc/61/32/49/813613249.db2.gz ZCZKIJWDMVSZAW-MCIONIFRSA-N 2 1 362.430 1.862 20 5 FDBDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367110223 814328262 /nfs/dbraw/zinc/32/82/62/814328262.db2.gz LTQUWHUAJNHOAH-QGZVFWFLSA-N 2 1 362.474 1.933 20 5 FDBDMP Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000843795837 840951869 /nfs/dbraw/zinc/95/18/69/840951869.db2.gz KTGUMULYZQHEPQ-CYBMUJFWSA-N 2 1 364.421 1.941 20 5 FDBDMP Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000843795837 840951875 /nfs/dbraw/zinc/95/18/75/840951875.db2.gz KTGUMULYZQHEPQ-CYBMUJFWSA-N 2 1 364.421 1.941 20 5 FDBDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCn3ccc([N+](=O)[O-])n3)C2)ccn1 ZINC000856588963 971238961 /nfs/dbraw/zinc/23/89/61/971238961.db2.gz DDWPTTXYWQLUPM-QGZVFWFLSA-N 2 1 374.445 1.791 20 5 FDBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)ccn1 ZINC000856588963 971238966 /nfs/dbraw/zinc/23/89/66/971238966.db2.gz DDWPTTXYWQLUPM-QGZVFWFLSA-N 2 1 374.445 1.791 20 5 FDBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)ccn1 ZINC000856588963 971238980 /nfs/dbraw/zinc/23/89/80/971238980.db2.gz DDWPTTXYWQLUPM-QGZVFWFLSA-N 2 1 374.445 1.791 20 5 FDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCCC[NH+]2CCNCC2)n1 ZINC000925845318 995794955 /nfs/dbraw/zinc/79/49/55/995794955.db2.gz GFHLOIHXVYYZNE-IAGOWNOFSA-N 2 1 364.494 1.940 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000530388654 539960237 /nfs/dbraw/zinc/96/02/37/539960237.db2.gz RFPQDRSBZCGIAS-CQSZACIVSA-N 2 1 351.403 1.578 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000530388654 539960240 /nfs/dbraw/zinc/96/02/40/539960240.db2.gz RFPQDRSBZCGIAS-CQSZACIVSA-N 2 1 351.403 1.578 20 5 FDBDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144108 541722327 /nfs/dbraw/zinc/72/23/27/541722327.db2.gz WZPDNOTWLABHQF-IAGOWNOFSA-N 2 1 363.458 1.998 20 5 FDBDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144108 541722330 /nfs/dbraw/zinc/72/23/30/541722330.db2.gz WZPDNOTWLABHQF-IAGOWNOFSA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144108 541722332 /nfs/dbraw/zinc/72/23/32/541722332.db2.gz WZPDNOTWLABHQF-IAGOWNOFSA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144108 541722334 /nfs/dbraw/zinc/72/23/34/541722334.db2.gz WZPDNOTWLABHQF-IAGOWNOFSA-N 2 1 363.458 1.998 20 5 FDBDMP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC4CC[NH2+]CC4)CC3)nc2c1 ZINC000297360696 184262090 /nfs/dbraw/zinc/26/20/90/184262090.db2.gz KQYWTQKKLSEOMD-UHFFFAOYSA-N 2 1 358.446 1.983 20 5 FDBDMP C[N@H+](CCN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)Cc1ccccc1 ZINC000176230778 174060027 /nfs/dbraw/zinc/06/00/27/174060027.db2.gz NUWNCWKBQLMCAR-UHFFFAOYSA-N 2 1 372.473 1.541 20 5 FDBDMP C[N@@H+](CCN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)Cc1ccccc1 ZINC000176230778 174060029 /nfs/dbraw/zinc/06/00/29/174060029.db2.gz NUWNCWKBQLMCAR-UHFFFAOYSA-N 2 1 372.473 1.541 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414827539 537923318 /nfs/dbraw/zinc/92/33/18/537923318.db2.gz XSZOHGHUUNONLH-OCCSQVGLSA-N 2 1 351.403 1.624 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061697 538388126 /nfs/dbraw/zinc/38/81/26/538388126.db2.gz SHHNMXNIGQYNQY-OLZOCXBDSA-N 2 1 350.419 1.991 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061697 538388133 /nfs/dbraw/zinc/38/81/33/538388133.db2.gz SHHNMXNIGQYNQY-OLZOCXBDSA-N 2 1 350.419 1.991 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061696 538388463 /nfs/dbraw/zinc/38/84/63/538388463.db2.gz SHHNMXNIGQYNQY-CHWSQXEVSA-N 2 1 350.419 1.991 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061696 538388467 /nfs/dbraw/zinc/38/84/67/538388467.db2.gz SHHNMXNIGQYNQY-CHWSQXEVSA-N 2 1 350.419 1.991 20 5 FDBDMP COc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000469856821 538817784 /nfs/dbraw/zinc/81/77/84/538817784.db2.gz WCOXUEKHZRDDEX-UHFFFAOYSA-N 2 1 353.419 1.942 20 5 FDBDMP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000563433167 546533630 /nfs/dbraw/zinc/53/36/30/546533630.db2.gz QYYJXEIEYKLYNJ-GOEBONIOSA-N 2 1 356.382 1.599 20 5 FDBDMP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000563433167 546533638 /nfs/dbraw/zinc/53/36/38/546533638.db2.gz QYYJXEIEYKLYNJ-GOEBONIOSA-N 2 1 356.382 1.599 20 5 FDBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000571891162 549793174 /nfs/dbraw/zinc/79/31/74/549793174.db2.gz LIPMJDFTLAXDHB-LSDHHAIUSA-N 2 1 364.450 1.029 20 5 FDBDMP CCO[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C[NH3+] ZINC000593736679 552187332 /nfs/dbraw/zinc/18/73/32/552187332.db2.gz DUHRAFPJNXSSKM-MLGOLLRUSA-N 2 1 366.418 1.228 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597941681 552848279 /nfs/dbraw/zinc/84/82/79/552848279.db2.gz CVYDFXJBQYNGHV-LBPRGKRZSA-N 2 1 372.416 1.804 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597941681 552848280 /nfs/dbraw/zinc/84/82/80/552848280.db2.gz CVYDFXJBQYNGHV-LBPRGKRZSA-N 2 1 372.416 1.804 20 5 FDBDMP Cc1ncc([N+](=O)[O-])n1CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000602797401 553640843 /nfs/dbraw/zinc/64/08/43/553640843.db2.gz WECYKHYNWYHJMQ-SJPCQFCGSA-N 2 1 362.478 1.343 20 5 FDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000602797401 553640844 /nfs/dbraw/zinc/64/08/44/553640844.db2.gz WECYKHYNWYHJMQ-SJPCQFCGSA-N 2 1 362.478 1.343 20 5 FDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000602797401 553640845 /nfs/dbraw/zinc/64/08/45/553640845.db2.gz WECYKHYNWYHJMQ-SJPCQFCGSA-N 2 1 362.478 1.343 20 5 FDBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000610520708 554521876 /nfs/dbraw/zinc/52/18/76/554521876.db2.gz JITFVAAGSQLOHB-UHFFFAOYSA-N 2 1 356.386 1.576 20 5 FDBDMP COC[C@]1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414938285 679374832 /nfs/dbraw/zinc/37/48/32/679374832.db2.gz FAOZWGLKUMOUKJ-CXAGYDPISA-N 2 1 350.419 1.670 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420417881 680442795 /nfs/dbraw/zinc/44/27/95/680442795.db2.gz WOAJQAHFTPUADL-CHWSQXEVSA-N 2 1 350.419 1.849 20 5 FDBDMP O=C([C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)N1CC[NH2+]CC1 ZINC000430652900 778030037 /nfs/dbraw/zinc/03/00/37/778030037.db2.gz YBEZWEQUUDPKAZ-ZDUSSCGKSA-N 2 1 373.413 1.380 20 5 FDBDMP O=C([C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)N1CC[NH2+]CC1 ZINC000430652900 778030049 /nfs/dbraw/zinc/03/00/49/778030049.db2.gz YBEZWEQUUDPKAZ-ZDUSSCGKSA-N 2 1 373.413 1.380 20 5 FDBDMP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000420348163 813608360 /nfs/dbraw/zinc/60/83/60/813608360.db2.gz JXUSDUCZDUTFMP-GJZGRUSLSA-N 2 1 361.446 1.210 20 5 FDBDMP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000420348163 813608364 /nfs/dbraw/zinc/60/83/64/813608364.db2.gz JXUSDUCZDUTFMP-GJZGRUSLSA-N 2 1 361.446 1.210 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422561459 814828584 /nfs/dbraw/zinc/82/85/84/814828584.db2.gz LHNLMFJLSNQHLK-YDHLFZDLSA-N 2 1 365.430 1.952 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422561459 814828585 /nfs/dbraw/zinc/82/85/85/814828585.db2.gz LHNLMFJLSNQHLK-YDHLFZDLSA-N 2 1 365.430 1.952 20 5 FDBDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818998325 943378403 /nfs/dbraw/zinc/37/84/03/943378403.db2.gz QKEUVESDOFTBBR-IAGOWNOFSA-N 2 1 364.446 1.161 20 5 FDBDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818998325 943378410 /nfs/dbraw/zinc/37/84/10/943378410.db2.gz QKEUVESDOFTBBR-IAGOWNOFSA-N 2 1 364.446 1.161 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869237200 984964964 /nfs/dbraw/zinc/96/49/64/984964964.db2.gz QLRRQKKXIVZFAI-ZDUSSCGKSA-N 2 1 354.426 1.665 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869237200 984964967 /nfs/dbraw/zinc/96/49/67/984964967.db2.gz QLRRQKKXIVZFAI-ZDUSSCGKSA-N 2 1 354.426 1.665 20 5 FDBDMP C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000362280578 988621806 /nfs/dbraw/zinc/62/18/06/988621806.db2.gz JOGJRVHWDCKWQC-GUYCJALGSA-N 2 1 355.398 1.947 20 5 FDBDMP COc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000552064661 543413597 /nfs/dbraw/zinc/41/35/97/543413597.db2.gz FYUMOCVYBAKROI-UHFFFAOYSA-N 2 1 364.446 1.685 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151291374 524551234 /nfs/dbraw/zinc/55/12/34/524551234.db2.gz OXKYNMMPEUHCPD-QGZVFWFLSA-N 2 1 358.398 1.552 20 5 FDBDMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000109147085 526081043 /nfs/dbraw/zinc/08/10/43/526081043.db2.gz SNMFXWMUVGWMBD-BBRMVZONSA-N 2 1 355.398 1.810 20 5 FDBDMP COc1ccc(OCC[N@@H+](C)CCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000182963859 535895645 /nfs/dbraw/zinc/89/56/45/535895645.db2.gz PJZKFPIVIWULAW-UHFFFAOYSA-N 2 1 366.462 1.552 20 5 FDBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(F)c1 ZINC000414967474 537946394 /nfs/dbraw/zinc/94/63/94/537946394.db2.gz FHFBOTRVTYHPFE-CYBMUJFWSA-N 2 1 350.316 1.660 20 5 FDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420324191 538266159 /nfs/dbraw/zinc/26/61/59/538266159.db2.gz GYEQMJFMRLTHDD-QAPCUYQASA-N 2 1 362.430 1.670 20 5 FDBDMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[C@H]1[NH3+] ZINC000592489525 552001002 /nfs/dbraw/zinc/00/10/02/552001002.db2.gz YFMQREOIAJCEQX-TZMCWYRMSA-N 2 1 350.419 1.991 20 5 FDBDMP Cc1c(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000596580563 552691476 /nfs/dbraw/zinc/69/14/76/552691476.db2.gz YZPPALWGQDQQDG-AWEZNQCLSA-N 2 1 365.478 1.974 20 5 FDBDMP Cc1c(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000596580563 552691477 /nfs/dbraw/zinc/69/14/77/552691477.db2.gz YZPPALWGQDQQDG-AWEZNQCLSA-N 2 1 365.478 1.974 20 5 FDBDMP Cc1[nH+]cc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1C ZINC000597127037 552750470 /nfs/dbraw/zinc/75/04/70/552750470.db2.gz JJTMHEMPYWOGOA-UHFFFAOYSA-N 2 1 367.431 1.006 20 5 FDBDMP C[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962510 552951942 /nfs/dbraw/zinc/95/19/42/552951942.db2.gz BMNJDFCVJHCLMA-ZDUSSCGKSA-N 2 1 370.475 1.336 20 5 FDBDMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962510 552951943 /nfs/dbraw/zinc/95/19/43/552951943.db2.gz BMNJDFCVJHCLMA-ZDUSSCGKSA-N 2 1 370.475 1.336 20 5 FDBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967557 553496933 /nfs/dbraw/zinc/49/69/33/553496933.db2.gz KLONVVKHVHFBMF-HHXXYDBFSA-N 2 1 373.457 1.510 20 5 FDBDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000602893887 553663071 /nfs/dbraw/zinc/66/30/71/553663071.db2.gz WVISCQIHHYXHGG-KRWDZBQOSA-N 2 1 350.419 1.312 20 5 FDBDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000602893887 553663072 /nfs/dbraw/zinc/66/30/72/553663072.db2.gz WVISCQIHHYXHGG-KRWDZBQOSA-N 2 1 350.419 1.312 20 5 FDBDMP C[NH+](C)CCOC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611271230 554621095 /nfs/dbraw/zinc/62/10/95/554621095.db2.gz NMSAOPVEVKXRFD-UHFFFAOYSA-N 2 1 365.430 1.909 20 5 FDBDMP COC[C@@]1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000423417946 680792655 /nfs/dbraw/zinc/79/26/55/680792655.db2.gz HNXRFAWOOXSSQL-GUYCJALGSA-N 2 1 350.419 1.670 20 5 FDBDMP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430952545 681101461 /nfs/dbraw/zinc/10/14/61/681101461.db2.gz QBVMFRVWKNWKCX-RYUDHWBXSA-N 2 1 350.419 1.990 20 5 FDBDMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261833280 774500438 /nfs/dbraw/zinc/50/04/38/774500438.db2.gz LCPYGMJXKJBEIY-CXAGYDPISA-N 2 1 364.421 1.814 20 5 FDBDMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261833280 774500440 /nfs/dbraw/zinc/50/04/40/774500440.db2.gz LCPYGMJXKJBEIY-CXAGYDPISA-N 2 1 364.421 1.814 20 5 FDBDMP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N[C@@H]2CC[NH+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895741089 822724773 /nfs/dbraw/zinc/72/47/73/822724773.db2.gz YXDSIAXNTRJBFA-REWJHTLYSA-N 2 1 363.466 1.702 20 5 FDBDMP Cc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@@H]2CC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895741089 822724776 /nfs/dbraw/zinc/72/47/76/822724776.db2.gz YXDSIAXNTRJBFA-REWJHTLYSA-N 2 1 363.466 1.702 20 5 FDBDMP Cc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895741089 822724779 /nfs/dbraw/zinc/72/47/79/822724779.db2.gz YXDSIAXNTRJBFA-REWJHTLYSA-N 2 1 363.466 1.702 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000474348125 822726933 /nfs/dbraw/zinc/72/69/33/822726933.db2.gz UBNCVDSCZDOBDT-CQSZACIVSA-N 2 1 363.414 1.721 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000474348125 822726936 /nfs/dbraw/zinc/72/69/36/822726936.db2.gz UBNCVDSCZDOBDT-CQSZACIVSA-N 2 1 363.414 1.721 20 5 FDBDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049604 928255050 /nfs/dbraw/zinc/25/50/50/928255050.db2.gz WUGNHGOFIQXCHW-UXLLHSPISA-N 2 1 353.463 1.781 20 5 FDBDMP COC(=O)c1cc(C)nc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC001186999673 964942846 /nfs/dbraw/zinc/94/28/46/964942846.db2.gz RNJOSEFBMSWDBX-ZDUSSCGKSA-N 2 1 367.450 1.769 20 5 FDBDMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000371329940 990362724 /nfs/dbraw/zinc/36/27/24/990362724.db2.gz PMOOEELIORGBKN-WMLDXEAASA-N 2 1 363.462 1.349 20 5 FDBDMP CN(CCC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC[NH+](C)C ZINC000289392093 1000095864 /nfs/dbraw/zinc/09/58/64/1000095864.db2.gz KEDQSIJJASNDCC-UHFFFAOYSA-N 2 1 366.462 1.777 20 5 FDBDMP CN(CCC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC[NH+](C)C ZINC000289392093 1000095865 /nfs/dbraw/zinc/09/58/65/1000095865.db2.gz KEDQSIJJASNDCC-UHFFFAOYSA-N 2 1 366.462 1.777 20 5 FDBDMP C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369270415 260327079 /nfs/dbraw/zinc/32/70/79/260327079.db2.gz YNQYRARDNJZSGL-QFBILLFUSA-N 2 1 362.474 1.931 20 5 FDBDMP C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369270415 260327080 /nfs/dbraw/zinc/32/70/80/260327080.db2.gz YNQYRARDNJZSGL-QFBILLFUSA-N 2 1 362.474 1.931 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114478658 524816544 /nfs/dbraw/zinc/81/65/44/524816544.db2.gz IUNQSXACZUGWFB-ZDUSSCGKSA-N 2 1 350.419 1.816 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420342879 538269808 /nfs/dbraw/zinc/26/98/08/538269808.db2.gz QJILAMHINJTEPE-ZIAGYGMSSA-N 2 1 362.430 1.863 20 5 FDBDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434220 549644237 /nfs/dbraw/zinc/64/42/37/549644237.db2.gz YMHOCTHOTKLGFH-HZPDHXFCSA-N 2 1 367.446 1.425 20 5 FDBDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574442916 550314879 /nfs/dbraw/zinc/31/48/79/550314879.db2.gz CUFFDFMIKXVZFD-GOSISDBHSA-N 2 1 361.446 1.782 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591282635 551855906 /nfs/dbraw/zinc/85/59/06/551855906.db2.gz IODZTIAUKBMRNU-AWEZNQCLSA-N 2 1 363.414 1.911 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593316577 552088357 /nfs/dbraw/zinc/08/83/57/552088357.db2.gz UMFIUHBZDUWDAE-KSSFIOAISA-N 2 1 363.414 1.707 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593316577 552088359 /nfs/dbraw/zinc/08/83/59/552088359.db2.gz UMFIUHBZDUWDAE-KSSFIOAISA-N 2 1 363.414 1.707 20 5 FDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)nc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000596091373 552654177 /nfs/dbraw/zinc/65/41/77/552654177.db2.gz JEKPLCMDOODKPZ-KBPBESRZSA-N 2 1 372.473 2.287 20 5 FDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[NH+](C3CC3)C2)nc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596091373 552654178 /nfs/dbraw/zinc/65/41/78/552654178.db2.gz JEKPLCMDOODKPZ-KBPBESRZSA-N 2 1 372.473 2.287 20 5 FDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[NH+](C3CC3)C2)nc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000596091373 552654180 /nfs/dbraw/zinc/65/41/80/552654180.db2.gz JEKPLCMDOODKPZ-KBPBESRZSA-N 2 1 372.473 2.287 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597943373 552848957 /nfs/dbraw/zinc/84/89/57/552848957.db2.gz ZUWFGIWYXUAPSB-ZDUSSCGKSA-N 2 1 352.435 1.605 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597943373 552848958 /nfs/dbraw/zinc/84/89/58/552848958.db2.gz ZUWFGIWYXUAPSB-ZDUSSCGKSA-N 2 1 352.435 1.605 20 5 FDBDMP CCC[NH+]1CCC(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000370029025 677537666 /nfs/dbraw/zinc/53/76/66/677537666.db2.gz RJXRTTDYAQPCDC-UHFFFAOYSA-N 2 1 350.467 1.283 20 5 FDBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000505773795 688528396 /nfs/dbraw/zinc/52/83/96/688528396.db2.gz RQSXMWRMYLCXDN-AWEZNQCLSA-N 2 1 351.451 1.421 20 5 FDBDMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415146504 791501142 /nfs/dbraw/zinc/50/11/42/791501142.db2.gz YROFBAQDWZQEQS-IAGOWNOFSA-N 2 1 373.457 1.623 20 5 FDBDMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415146504 791501147 /nfs/dbraw/zinc/50/11/47/791501147.db2.gz YROFBAQDWZQEQS-IAGOWNOFSA-N 2 1 373.457 1.623 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000261866322 814801318 /nfs/dbraw/zinc/80/13/18/814801318.db2.gz NPXALMNWIMHHTA-XJKSGUPXSA-N 2 1 364.421 1.814 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000261866322 814801319 /nfs/dbraw/zinc/80/13/19/814801319.db2.gz NPXALMNWIMHHTA-XJKSGUPXSA-N 2 1 364.421 1.814 20 5 FDBDMP CCO[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C[NH+](C)C ZINC000896876731 825450401 /nfs/dbraw/zinc/45/04/01/825450401.db2.gz GABPAAFNRRTYAB-MRXNPFEDSA-N 2 1 351.451 1.515 20 5 FDBDMP CC(C)(C[NH3+])[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173690979 962581847 /nfs/dbraw/zinc/58/18/47/962581847.db2.gz CLJFZXVNCDNFAN-UHFFFAOYSA-N 2 1 356.448 1.075 20 5 FDBDMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000878678850 994110564 /nfs/dbraw/zinc/11/05/64/994110564.db2.gz MGXQRRRTLXNZIG-MRXNPFEDSA-N 2 1 360.458 1.985 20 5 FDBDMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000878678850 994110570 /nfs/dbraw/zinc/11/05/70/994110570.db2.gz MGXQRRRTLXNZIG-MRXNPFEDSA-N 2 1 360.458 1.985 20 5 FDBDMP COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000879125801 994560111 /nfs/dbraw/zinc/56/01/11/994560111.db2.gz IPFGNHYZIQPTLF-UHFFFAOYSA-N 2 1 364.446 1.824 20 5 FDBDMP COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000879125801 994560122 /nfs/dbraw/zinc/56/01/22/994560122.db2.gz IPFGNHYZIQPTLF-UHFFFAOYSA-N 2 1 364.446 1.824 20 5 FDBDMP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576424 995031483 /nfs/dbraw/zinc/03/14/83/995031483.db2.gz UYNFVIFLEFJWOL-BBRMVZONSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576424 995031496 /nfs/dbraw/zinc/03/14/96/995031496.db2.gz UYNFVIFLEFJWOL-BBRMVZONSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576424 995031507 /nfs/dbraw/zinc/03/15/07/995031507.db2.gz UYNFVIFLEFJWOL-BBRMVZONSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576424 995031517 /nfs/dbraw/zinc/03/15/17/995031517.db2.gz UYNFVIFLEFJWOL-BBRMVZONSA-N 2 1 362.430 1.958 20 5 FDBDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283196965 182126643 /nfs/dbraw/zinc/12/66/43/182126643.db2.gz RCUDHKWUSFUVOO-UHFFFAOYSA-N 2 1 352.410 1.624 20 5 FDBDMP C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173396811 258298085 /nfs/dbraw/zinc/29/80/85/258298085.db2.gz XSJJIIRISYKKOH-IBGZPJMESA-N 2 1 373.457 1.749 20 5 FDBDMP C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173396811 258298086 /nfs/dbraw/zinc/29/80/86/258298086.db2.gz XSJJIIRISYKKOH-IBGZPJMESA-N 2 1 373.457 1.749 20 5 FDBDMP C[C@@H]1C[N@H+](CC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000176226111 174059603 /nfs/dbraw/zinc/05/96/03/174059603.db2.gz PBHZKKLEOBYMGT-GASCZTMLSA-N 2 1 351.451 1.613 20 5 FDBDMP C[NH+]1CCCN(c2nc(N3CCC[N@H+](C)CC3)sc2[N+](=O)[O-])CC1 ZINC000301274652 259024840 /nfs/dbraw/zinc/02/48/40/259024840.db2.gz IITCNXULLKXFFA-UHFFFAOYSA-N 2 1 354.480 1.335 20 5 FDBDMP C[NH+]1CCCN(c2nc(N3CCC[N@H+](C)CC3)c([N+](=O)[O-])s2)CC1 ZINC000301274652 259024841 /nfs/dbraw/zinc/02/48/41/259024841.db2.gz IITCNXULLKXFFA-UHFFFAOYSA-N 2 1 354.480 1.335 20 5 FDBDMP C[NH+]1CCCN(c2nc(N3CCC[N@@H+](C)CC3)c([N+](=O)[O-])s2)CC1 ZINC000301274652 259024842 /nfs/dbraw/zinc/02/48/42/259024842.db2.gz IITCNXULLKXFFA-UHFFFAOYSA-N 2 1 354.480 1.335 20 5 FDBDMP CN1CCN(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374754922 261188786 /nfs/dbraw/zinc/18/87/86/261188786.db2.gz ZVAVCTWXBJROQE-UHFFFAOYSA-N 2 1 362.430 1.212 20 5 FDBDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000566116768 547611632 /nfs/dbraw/zinc/61/16/32/547611632.db2.gz QMZRDVNTQUXCDG-DNVCBOLYSA-N 2 1 373.457 1.967 20 5 FDBDMP CCO[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593315629 552088158 /nfs/dbraw/zinc/08/81/58/552088158.db2.gz JKYPXMYILNOTPY-RHSMWYFYSA-N 2 1 359.430 1.791 20 5 FDBDMP CCO[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593315629 552088160 /nfs/dbraw/zinc/08/81/60/552088160.db2.gz JKYPXMYILNOTPY-RHSMWYFYSA-N 2 1 359.430 1.791 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593728984 552184574 /nfs/dbraw/zinc/18/45/74/552184574.db2.gz CCCDRKGQLOUXPB-UGSOOPFHSA-N 2 1 362.430 1.993 20 5 FDBDMP CCO[C@@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C[NH3+] ZINC000593737155 552187825 /nfs/dbraw/zinc/18/78/25/552187825.db2.gz QFYROCJWVMWNEI-MLGOLLRUSA-N 2 1 364.402 1.188 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596065163 552651712 /nfs/dbraw/zinc/65/17/12/552651712.db2.gz FGLQOAPMJCMOKL-JKSUJKDBSA-N 2 1 365.430 1.177 20 5 FDBDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157887861 671973988 /nfs/dbraw/zinc/97/39/88/671973988.db2.gz KZZWGMSTVOQIOJ-UHFFFAOYSA-N 2 1 357.252 1.694 20 5 FDBDMP O=C([C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000430606972 776912227 /nfs/dbraw/zinc/91/22/27/776912227.db2.gz AVQVEIIHOQRFIU-OAHLLOKOSA-N 2 1 362.430 1.117 20 5 FDBDMP Cn1ccnc1[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423189274 814995308 /nfs/dbraw/zinc/99/53/08/814995308.db2.gz QXSGUBBGBRYYIG-QGZVFWFLSA-N 2 1 358.446 1.303 20 5 FDBDMP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420337734 813608681 /nfs/dbraw/zinc/60/86/81/813608681.db2.gz KADVFESFJOCQPC-ZIAGYGMSSA-N 2 1 362.430 1.863 20 5 FDBDMP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420337734 813608687 /nfs/dbraw/zinc/60/86/87/813608687.db2.gz KADVFESFJOCQPC-ZIAGYGMSSA-N 2 1 362.430 1.863 20 5 FDBDMP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000420348162 813623028 /nfs/dbraw/zinc/62/30/28/813623028.db2.gz JXUSDUCZDUTFMP-CABCVRRESA-N 2 1 361.446 1.210 20 5 FDBDMP Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000420348162 813623031 /nfs/dbraw/zinc/62/30/31/813623031.db2.gz JXUSDUCZDUTFMP-CABCVRRESA-N 2 1 361.446 1.210 20 5 FDBDMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024002 928247445 /nfs/dbraw/zinc/24/74/45/928247445.db2.gz WPKMOXHYHVYUSP-WBVHZDCISA-N 2 1 362.474 1.256 20 5 FDBDMP O=C1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCCN1 ZINC001183643696 963182869 /nfs/dbraw/zinc/18/28/69/963182869.db2.gz VQBBZGQTGAQHNG-UHFFFAOYSA-N 2 1 360.458 1.671 20 5 FDBDMP C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000362704923 988710039 /nfs/dbraw/zinc/71/00/39/988710039.db2.gz VUFWKVKQDCPQSQ-IAGOWNOFSA-N 2 1 362.474 1.931 20 5 FDBDMP C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000362704923 988710048 /nfs/dbraw/zinc/71/00/48/988710048.db2.gz VUFWKVKQDCPQSQ-IAGOWNOFSA-N 2 1 362.474 1.931 20 5 FDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000877059122 993034079 /nfs/dbraw/zinc/03/40/79/993034079.db2.gz QXZZCMZNXNLVPO-FAFZWHIHSA-N 2 1 371.441 1.721 20 5 FDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000877059122 993034086 /nfs/dbraw/zinc/03/40/86/993034086.db2.gz QXZZCMZNXNLVPO-FAFZWHIHSA-N 2 1 371.441 1.721 20 5 FDBDMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000880256010 995760421 /nfs/dbraw/zinc/76/04/21/995760421.db2.gz COMXAKSLVPNDEY-QGZVFWFLSA-N 2 1 365.478 1.883 20 5 FDBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274849590 181176315 /nfs/dbraw/zinc/17/63/15/181176315.db2.gz QSRVJDSJLCPHKH-ATZDWAIDSA-N 2 1 373.457 1.652 20 5 FDBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274849593 181176321 /nfs/dbraw/zinc/17/63/21/181176321.db2.gz QSRVJDSJLCPHKH-MNEFBYGVSA-N 2 1 373.457 1.652 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357656 538277189 /nfs/dbraw/zinc/27/71/89/538277189.db2.gz DULYZQLZFRNUAP-SFHVURJKSA-N 2 1 360.414 1.968 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357656 538277194 /nfs/dbraw/zinc/27/71/94/538277194.db2.gz DULYZQLZFRNUAP-SFHVURJKSA-N 2 1 360.414 1.968 20 5 FDBDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000568985174 548757113 /nfs/dbraw/zinc/75/71/13/548757113.db2.gz HDYNMYUUDUOCMA-KURKYZTESA-N 2 1 374.441 1.528 20 5 FDBDMP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000571627960 549712229 /nfs/dbraw/zinc/71/22/29/549712229.db2.gz LWXPYXMXWAZLSS-DOTOQJQBSA-N 2 1 374.441 1.463 20 5 FDBDMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000571627960 549712230 /nfs/dbraw/zinc/71/22/30/549712230.db2.gz LWXPYXMXWAZLSS-DOTOQJQBSA-N 2 1 374.441 1.463 20 5 FDBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599660324 553115573 /nfs/dbraw/zinc/11/55/73/553115573.db2.gz NIBMCGCEJQQQFU-SFHVURJKSA-N 2 1 361.446 1.736 20 5 FDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602894598 553663614 /nfs/dbraw/zinc/66/36/14/553663614.db2.gz YAODMUIIPSVWSN-SFHVURJKSA-N 2 1 364.446 1.620 20 5 FDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602894598 553663615 /nfs/dbraw/zinc/66/36/15/553663615.db2.gz YAODMUIIPSVWSN-SFHVURJKSA-N 2 1 364.446 1.620 20 5 FDBDMP O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](C3CC3)C2)nc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000603279178 553752183 /nfs/dbraw/zinc/75/21/83/553752183.db2.gz PBPYCGAFNFKORA-OLZOCXBDSA-N 2 1 373.461 1.682 20 5 FDBDMP O=[N+]([O-])c1cnc(N[C@H]2CC[NH+](C3CC3)C2)nc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000603279178 553752186 /nfs/dbraw/zinc/75/21/86/553752186.db2.gz PBPYCGAFNFKORA-OLZOCXBDSA-N 2 1 373.461 1.682 20 5 FDBDMP O=[N+]([O-])c1cnc(N[C@H]2CC[NH+](C3CC3)C2)nc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000603279178 553752187 /nfs/dbraw/zinc/75/21/87/553752187.db2.gz PBPYCGAFNFKORA-OLZOCXBDSA-N 2 1 373.461 1.682 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000262043014 774647932 /nfs/dbraw/zinc/64/79/32/774647932.db2.gz YNAKXTVDGAEYFV-SOUVJXGZSA-N 2 1 363.414 1.706 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000262043014 774647935 /nfs/dbraw/zinc/64/79/35/774647935.db2.gz YNAKXTVDGAEYFV-SOUVJXGZSA-N 2 1 363.414 1.706 20 5 FDBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420402676 813649731 /nfs/dbraw/zinc/64/97/31/813649731.db2.gz MMSCXFRCCIEOAU-FSPWUOQZSA-N 2 1 373.457 1.876 20 5 FDBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420402676 813649732 /nfs/dbraw/zinc/64/97/32/813649732.db2.gz MMSCXFRCCIEOAU-FSPWUOQZSA-N 2 1 373.457 1.876 20 5 FDBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420408702 813655683 /nfs/dbraw/zinc/65/56/83/813655683.db2.gz VBYSABKYCJZTCT-SKDZVZGDSA-N 2 1 373.457 1.876 20 5 FDBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420408702 813655691 /nfs/dbraw/zinc/65/56/91/813655691.db2.gz VBYSABKYCJZTCT-SKDZVZGDSA-N 2 1 373.457 1.876 20 5 FDBDMP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+]CC[NH2+]CC1 ZINC000923466566 889324426 /nfs/dbraw/zinc/32/44/26/889324426.db2.gz PYFOELKFJOPUCZ-NSHDSACASA-N 2 1 355.826 1.070 20 5 FDBDMP Cn1cc[nH+]c1N([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001169019314 928241055 /nfs/dbraw/zinc/24/10/55/928241055.db2.gz HPFOOJXOTFEZQD-OAGGEKHMSA-N 2 1 363.462 1.583 20 5 FDBDMP COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CC[NH+](C)CC1 ZINC000879125979 994558961 /nfs/dbraw/zinc/55/89/61/994558961.db2.gz NSHPPWYXKJVURO-UHFFFAOYSA-N 2 1 352.435 1.047 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000075713719 172095486 /nfs/dbraw/zinc/09/54/86/172095486.db2.gz KTMUVJZUBFWCQR-SJLPKXTDSA-N 2 1 365.478 1.740 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000075713719 172095489 /nfs/dbraw/zinc/09/54/89/172095489.db2.gz KTMUVJZUBFWCQR-SJLPKXTDSA-N 2 1 365.478 1.740 20 5 FDBDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000378438390 262025411 /nfs/dbraw/zinc/02/54/11/262025411.db2.gz VZNJCOLRLZJGDX-QGZVFWFLSA-N 2 1 362.474 1.933 20 5 FDBDMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000251948310 537249071 /nfs/dbraw/zinc/24/90/71/537249071.db2.gz UNEMEMISBHILKK-KGLIPLIRSA-N 2 1 373.413 1.308 20 5 FDBDMP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000251948310 537249073 /nfs/dbraw/zinc/24/90/73/537249073.db2.gz UNEMEMISBHILKK-KGLIPLIRSA-N 2 1 373.413 1.308 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581011235 551042763 /nfs/dbraw/zinc/04/27/63/551042763.db2.gz ANMKJPWXYBYFEL-GOSISDBHSA-N 2 1 360.414 1.968 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581011235 551042765 /nfs/dbraw/zinc/04/27/65/551042765.db2.gz ANMKJPWXYBYFEL-GOSISDBHSA-N 2 1 360.414 1.968 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420360790 680435997 /nfs/dbraw/zinc/43/59/97/680435997.db2.gz HLSWIAMDBWQQRZ-BWACUDIHSA-N 2 1 350.419 1.908 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430540754 681080371 /nfs/dbraw/zinc/08/03/71/681080371.db2.gz AMZOSJXPQNJOEA-OLZOCXBDSA-N 2 1 350.419 1.991 20 5 FDBDMP O=C([C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)N1CC[NH2+]CC1 ZINC000470013990 684999381 /nfs/dbraw/zinc/99/93/81/684999381.db2.gz TVWXYJIETQRJDN-AWEZNQCLSA-N 2 1 350.394 1.378 20 5 FDBDMP Cn1cc[nH+]c1N([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001169019312 928240594 /nfs/dbraw/zinc/24/05/94/928240594.db2.gz HPFOOJXOTFEZQD-ARFHVFGLSA-N 2 1 363.462 1.583 20 5 FDBDMP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000863552628 973010036 /nfs/dbraw/zinc/01/00/36/973010036.db2.gz USYRAYFGUUGUDR-LLVKDONJSA-N 2 1 358.826 1.743 20 5 FDBDMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000863552628 973010051 /nfs/dbraw/zinc/01/00/51/973010051.db2.gz USYRAYFGUUGUDR-LLVKDONJSA-N 2 1 358.826 1.743 20 5 FDBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000866258462 975513717 /nfs/dbraw/zinc/51/37/17/975513717.db2.gz SPHNTPHEVWODQY-ZDUSSCGKSA-N 2 1 352.410 1.419 20 5 FDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)C2)c1 ZINC000877624815 993389264 /nfs/dbraw/zinc/38/92/64/993389264.db2.gz SITCRGLZVXFSBK-FAFZWHIHSA-N 2 1 371.441 1.851 20 5 FDBDMP C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000880264679 995767886 /nfs/dbraw/zinc/76/78/86/995767886.db2.gz ZGXVAHKXGWDRSF-QAPCUYQASA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000880264679 995767895 /nfs/dbraw/zinc/76/78/95/995767895.db2.gz ZGXVAHKXGWDRSF-QAPCUYQASA-N 2 1 372.425 1.940 20 5 FDBDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367622768 260069314 /nfs/dbraw/zinc/06/93/14/260069314.db2.gz JVXBOJHEQLGJLV-VQIMIIECSA-N 2 1 362.474 1.588 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166365012 525581026 /nfs/dbraw/zinc/58/10/26/525581026.db2.gz MLJXGPDLJQJDBE-UKRRQHHQSA-N 2 1 368.459 1.090 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166365012 525581031 /nfs/dbraw/zinc/58/10/31/525581031.db2.gz MLJXGPDLJQJDBE-UKRRQHHQSA-N 2 1 368.459 1.090 20 5 FDBDMP C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248594260 537195827 /nfs/dbraw/zinc/19/58/27/537195827.db2.gz SEUIRGWEZROVSO-JJRVBVJISA-N 2 1 351.451 1.395 20 5 FDBDMP CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192723696 537231075 /nfs/dbraw/zinc/23/10/75/537231075.db2.gz LCOIDHFQMRJRTR-XYPWUTKMSA-N 2 1 362.478 1.867 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000420334812 538267759 /nfs/dbraw/zinc/26/77/59/538267759.db2.gz LIBXKUOOJXGLJC-UHFFFAOYSA-N 2 1 353.444 1.444 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346705 538271710 /nfs/dbraw/zinc/27/17/10/538271710.db2.gz XGHOTCWSHIUHFZ-OKILXGFUSA-N 2 1 362.430 1.863 20 5 FDBDMP C[C@@H]1CC2(C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424286088 538272409 /nfs/dbraw/zinc/27/24/09/538272409.db2.gz GXSKPXRRPDSUMZ-CQSZACIVSA-N 2 1 367.471 1.833 20 5 FDBDMP C[C@@H]1CC2(C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424286088 538272414 /nfs/dbraw/zinc/27/24/14/538272414.db2.gz GXSKPXRRPDSUMZ-CQSZACIVSA-N 2 1 367.471 1.833 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000566529276 547795340 /nfs/dbraw/zinc/79/53/40/547795340.db2.gz HNWSTRQCOZCNDG-OAHLLOKOSA-N 2 1 365.430 1.967 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000566529276 547795345 /nfs/dbraw/zinc/79/53/45/547795345.db2.gz HNWSTRQCOZCNDG-OAHLLOKOSA-N 2 1 365.430 1.967 20 5 FDBDMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000571208995 549566142 /nfs/dbraw/zinc/56/61/42/549566142.db2.gz KYNCZZIFAVZQJI-IAGOWNOFSA-N 2 1 367.446 1.017 20 5 FDBDMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000574910512 550391139 /nfs/dbraw/zinc/39/11/39/550391139.db2.gz LZDHKGZMXVQRIB-HZPDHXFCSA-N 2 1 351.451 1.975 20 5 FDBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593729641 552184665 /nfs/dbraw/zinc/18/46/65/552184665.db2.gz HHONXRVDDQXOHH-XOKHGSTOSA-N 2 1 362.430 1.894 20 5 FDBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593729641 552184667 /nfs/dbraw/zinc/18/46/67/552184667.db2.gz HHONXRVDDQXOHH-XOKHGSTOSA-N 2 1 362.430 1.894 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000593737683 552187807 /nfs/dbraw/zinc/18/78/07/552187807.db2.gz ULXZUNXZBMGHMC-UGSOOPFHSA-N 2 1 362.430 1.993 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596065160 552651536 /nfs/dbraw/zinc/65/15/36/552651536.db2.gz FGLQOAPMJCMOKL-CVEARBPZSA-N 2 1 365.430 1.177 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000596066967 552651884 /nfs/dbraw/zinc/65/18/84/552651884.db2.gz XCGVOGYZOBZYEQ-DLBZAZTESA-N 2 1 365.430 1.177 20 5 FDBDMP CNc1c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597941827 552848385 /nfs/dbraw/zinc/84/83/85/552848385.db2.gz DDTZFUOKVZQCKN-ZDUSSCGKSA-N 2 1 351.451 1.638 20 5 FDBDMP CNc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597941827 552848387 /nfs/dbraw/zinc/84/83/87/552848387.db2.gz DDTZFUOKVZQCKN-ZDUSSCGKSA-N 2 1 351.451 1.638 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597941413 552848405 /nfs/dbraw/zinc/84/84/05/552848405.db2.gz AKOMBYYVGVZPGR-LBPRGKRZSA-N 2 1 366.418 1.325 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597941413 552848406 /nfs/dbraw/zinc/84/84/06/552848406.db2.gz AKOMBYYVGVZPGR-LBPRGKRZSA-N 2 1 366.418 1.325 20 5 FDBDMP CCC[NH+]1CCC(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000371842314 677789905 /nfs/dbraw/zinc/78/99/05/677789905.db2.gz HUEOZTKIBIAUBX-UHFFFAOYSA-N 2 1 350.467 1.283 20 5 FDBDMP COC[C@@]1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414938286 679374887 /nfs/dbraw/zinc/37/48/87/679374887.db2.gz FAOZWGLKUMOUKJ-DYVFJYSZSA-N 2 1 350.419 1.670 20 5 FDBDMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430649097 681089468 /nfs/dbraw/zinc/08/94/68/681089468.db2.gz HYOPIUUEXAUMIF-ZDUSSCGKSA-N 2 1 350.419 1.863 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364656933 785131205 /nfs/dbraw/zinc/13/12/05/785131205.db2.gz LGVMCHNUGCRSEP-QBPKDAKJSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364656933 785131209 /nfs/dbraw/zinc/13/12/09/785131209.db2.gz LGVMCHNUGCRSEP-QBPKDAKJSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364656933 785131212 /nfs/dbraw/zinc/13/12/12/785131212.db2.gz LGVMCHNUGCRSEP-QBPKDAKJSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364656933 785131214 /nfs/dbraw/zinc/13/12/14/785131214.db2.gz LGVMCHNUGCRSEP-QBPKDAKJSA-N 2 1 361.442 1.751 20 5 FDBDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000378233076 793766706 /nfs/dbraw/zinc/76/67/06/793766706.db2.gz UPNVQSCAPNEECW-RTBURBONSA-N 2 1 362.474 1.729 20 5 FDBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420338344 813608702 /nfs/dbraw/zinc/60/87/02/813608702.db2.gz XUUIPNPGVMXHLQ-QEORTHHSSA-N 2 1 362.430 1.750 20 5 FDBDMP C[NH+]1CC[C@H]2CN(c3nc(N4C[C@H]5CC[N@H+](C)[C@H]5C4)ccc3[N+](=O)[O-])C[C@H]21 ZINC000450781797 830123338 /nfs/dbraw/zinc/12/33/38/830123338.db2.gz UVAZMCZTXVCMDH-YQFWSFKMSA-N 2 1 372.473 1.270 20 5 FDBDMP C[NH+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(N4C[C@@H]5CC[N@H+](C)[C@@H]5C4)n3)C[C@@H]21 ZINC000450781797 830123340 /nfs/dbraw/zinc/12/33/40/830123340.db2.gz UVAZMCZTXVCMDH-YQFWSFKMSA-N 2 1 372.473 1.270 20 5 FDBDMP C[NH+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(N4C[C@@H]5CC[N@@H+](C)[C@@H]5C4)n3)C[C@@H]21 ZINC000450781797 830123345 /nfs/dbraw/zinc/12/33/45/830123345.db2.gz UVAZMCZTXVCMDH-YQFWSFKMSA-N 2 1 372.473 1.270 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823920743 946101879 /nfs/dbraw/zinc/10/18/79/946101879.db2.gz BAUIYXAMHRKJHN-LBPRGKRZSA-N 2 1 352.439 1.571 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823920743 946101884 /nfs/dbraw/zinc/10/18/84/946101884.db2.gz BAUIYXAMHRKJHN-LBPRGKRZSA-N 2 1 352.439 1.571 20 5 FDBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCCC[NH+]2CCNCC2)n1 ZINC000925845319 995795199 /nfs/dbraw/zinc/79/51/99/995795199.db2.gz GFHLOIHXVYYZNE-IRXDYDNUSA-N 2 1 364.494 1.940 20 5 FDBDMP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000472626789 538675104 /nfs/dbraw/zinc/67/51/04/538675104.db2.gz CTXCBXIKWOCWTR-GJZGRUSLSA-N 2 1 351.451 1.975 20 5 FDBDMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000564989468 547148273 /nfs/dbraw/zinc/14/82/73/547148273.db2.gz MJUGALRQZBFRGO-CQSZACIVSA-N 2 1 362.430 1.611 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000567678913 548208758 /nfs/dbraw/zinc/20/87/58/548208758.db2.gz DWKRAYWLPWOICD-MJGOQNOKSA-N 2 1 373.457 1.306 20 5 FDBDMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCN2C1=O ZINC000575935565 550492914 /nfs/dbraw/zinc/49/29/14/550492914.db2.gz YUSLBEOZHONXST-ZBFHGGJFSA-N 2 1 356.382 1.599 20 5 FDBDMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCN2C1=O ZINC000575935565 550492916 /nfs/dbraw/zinc/49/29/16/550492916.db2.gz YUSLBEOZHONXST-ZBFHGGJFSA-N 2 1 356.382 1.599 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414898289 679373378 /nfs/dbraw/zinc/37/33/78/679373378.db2.gz BCUOPHYETFSASB-QGZVFWFLSA-N 2 1 351.403 1.626 20 5 FDBDMP C[C@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000312747821 795929565 /nfs/dbraw/zinc/92/95/65/795929565.db2.gz YVCNMNPIKJPIAN-RBUKOAKNSA-N 2 1 373.457 1.654 20 5 FDBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420338341 813608174 /nfs/dbraw/zinc/60/81/74/813608174.db2.gz XUUIPNPGVMXHLQ-MRRJBJDNSA-N 2 1 362.430 1.750 20 5 FDBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420337898 813609625 /nfs/dbraw/zinc/60/96/25/813609625.db2.gz XIQRAZXLRJHFOA-VUCTXSBTSA-N 2 1 362.430 1.750 20 5 FDBDMP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000420326639 813617156 /nfs/dbraw/zinc/61/71/56/813617156.db2.gz COENADZRCNUBSF-MCIONIFRSA-N 2 1 362.430 1.862 20 5 FDBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420402677 813649573 /nfs/dbraw/zinc/64/95/73/813649573.db2.gz MMSCXFRCCIEOAU-JEBQAFNWSA-N 2 1 373.457 1.876 20 5 FDBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420402677 813649579 /nfs/dbraw/zinc/64/95/79/813649579.db2.gz MMSCXFRCCIEOAU-JEBQAFNWSA-N 2 1 373.457 1.876 20 5 FDBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000516207097 816701802 /nfs/dbraw/zinc/70/18/02/816701802.db2.gz SNGHDKKNEKIEAX-UHFFFAOYSA-N 2 1 355.398 1.923 20 5 FDBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000249492256 860920246 /nfs/dbraw/zinc/92/02/46/860920246.db2.gz VMMMGYNERUFZEJ-RDJZCZTQSA-N 2 1 366.462 1.483 20 5 FDBDMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024000 928248503 /nfs/dbraw/zinc/24/85/03/928248503.db2.gz WPKMOXHYHVYUSP-NVXWUHKLSA-N 2 1 362.474 1.256 20 5 FDBDMP C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000282814057 952870061 /nfs/dbraw/zinc/87/00/61/952870061.db2.gz AETKXGPTKQYQSF-UHFFFAOYSA-N 2 1 370.457 1.811 20 5 FDBDMP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000282814057 952870068 /nfs/dbraw/zinc/87/00/68/952870068.db2.gz AETKXGPTKQYQSF-UHFFFAOYSA-N 2 1 370.457 1.811 20 5 FDBDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911950 961849623 /nfs/dbraw/zinc/84/96/23/961849623.db2.gz HMMSZVJTKKSZCB-MSOLQXFVSA-N 2 1 374.485 1.984 20 5 FDBDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911950 961849640 /nfs/dbraw/zinc/84/96/40/961849640.db2.gz HMMSZVJTKKSZCB-MSOLQXFVSA-N 2 1 374.485 1.984 20 5 FDBDMP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576425 995032520 /nfs/dbraw/zinc/03/25/20/995032520.db2.gz UYNFVIFLEFJWOL-CJNGLKHVSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576425 995032530 /nfs/dbraw/zinc/03/25/30/995032530.db2.gz UYNFVIFLEFJWOL-CJNGLKHVSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576425 995032544 /nfs/dbraw/zinc/03/25/44/995032544.db2.gz UYNFVIFLEFJWOL-CJNGLKHVSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576425 995032551 /nfs/dbraw/zinc/03/25/51/995032551.db2.gz UYNFVIFLEFJWOL-CJNGLKHVSA-N 2 1 362.430 1.958 20 5 FDBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000511063701 781925555 /nfs/dbraw/zinc/92/55/55/781925555.db2.gz IDFFHZFIDZLHAI-UHFFFAOYSA-N 2 1 360.458 1.812 20 5 FDBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000511063701 781925562 /nfs/dbraw/zinc/92/55/62/781925562.db2.gz IDFFHZFIDZLHAI-UHFFFAOYSA-N 2 1 360.458 1.812 20 5 FDBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000182186556 526086218 /nfs/dbraw/zinc/08/62/18/526086218.db2.gz JZKCXTCAGQWAAC-PMPSAXMXSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000182186556 526086225 /nfs/dbraw/zinc/08/62/25/526086225.db2.gz JZKCXTCAGQWAAC-PMPSAXMXSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000182186556 526086234 /nfs/dbraw/zinc/08/62/34/526086234.db2.gz JZKCXTCAGQWAAC-PMPSAXMXSA-N 2 1 351.447 1.997 20 5 FDBDMP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362482659 537597778 /nfs/dbraw/zinc/59/77/78/537597778.db2.gz GFQLLHYMAIBOLF-MOPGFXCFSA-N 2 1 362.474 1.729 20 5 FDBDMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000420321561 538264345 /nfs/dbraw/zinc/26/43/45/538264345.db2.gz CUORHGCFQFLLOK-CQSZACIVSA-N 2 1 362.430 1.611 20 5 FDBDMP Cc1c(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000420397218 538286039 /nfs/dbraw/zinc/28/60/39/538286039.db2.gz FHQGBHSAFDMGSE-WMZOPIPTSA-N 2 1 373.457 1.623 20 5 FDBDMP Cc1c(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000420397218 538286041 /nfs/dbraw/zinc/28/60/41/538286041.db2.gz FHQGBHSAFDMGSE-WMZOPIPTSA-N 2 1 373.457 1.623 20 5 FDBDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506171133 538869087 /nfs/dbraw/zinc/86/90/87/538869087.db2.gz CJRNCVDLZISVNV-OAHLLOKOSA-N 2 1 364.446 1.789 20 5 FDBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506171133 538869089 /nfs/dbraw/zinc/86/90/89/538869089.db2.gz CJRNCVDLZISVNV-OAHLLOKOSA-N 2 1 364.446 1.789 20 5 FDBDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000579222540 550848901 /nfs/dbraw/zinc/84/89/01/550848901.db2.gz XYOFHAHFXSHOCB-HLLBOEOZSA-N 2 1 353.467 1.500 20 5 FDBDMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1[NH3+] ZINC000592487880 552000724 /nfs/dbraw/zinc/00/07/24/552000724.db2.gz AELBKEZACGNJNY-JSGCOSHPSA-N 2 1 350.419 1.991 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000595010296 552436737 /nfs/dbraw/zinc/43/67/37/552436737.db2.gz GLKRMLYJNMXSDN-ZDUSSCGKSA-N 2 1 350.419 1.418 20 5 FDBDMP C[NH+]1CCN(C(=O)C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000602658625 553619638 /nfs/dbraw/zinc/61/96/38/553619638.db2.gz FXSOKYHSMRJNJQ-UHFFFAOYSA-N 2 1 360.458 1.623 20 5 FDBDMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602948913 553677403 /nfs/dbraw/zinc/67/74/03/553677403.db2.gz FVTCKQGIGVGRAW-MRXNPFEDSA-N 2 1 351.451 1.493 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430540755 681080316 /nfs/dbraw/zinc/08/03/16/681080316.db2.gz AMZOSJXPQNJOEA-QWHCGFSZSA-N 2 1 350.419 1.991 20 5 FDBDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000436058272 681660933 /nfs/dbraw/zinc/66/09/33/681660933.db2.gz IJIKIGWPZJRJIR-CQSZACIVSA-N 2 1 350.419 1.293 20 5 FDBDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000378233074 793766086 /nfs/dbraw/zinc/76/60/86/793766086.db2.gz UPNVQSCAPNEECW-OALUTQOASA-N 2 1 362.474 1.729 20 5 FDBDMP C[N@@H+]1CCc2c(NCc3ncn4c3C[NH2+]CCC4)ccc([N+](=O)[O-])c2C1 ZINC001169243192 928371378 /nfs/dbraw/zinc/37/13/78/928371378.db2.gz DZFKZHJFYKURLE-UHFFFAOYSA-N 2 1 356.430 1.885 20 5 FDBDMP C[N@H+]1CCc2c(NCc3ncn4c3C[NH2+]CCC4)ccc([N+](=O)[O-])c2C1 ZINC001169243192 928371390 /nfs/dbraw/zinc/37/13/90/928371390.db2.gz DZFKZHJFYKURLE-UHFFFAOYSA-N 2 1 356.430 1.885 20 5 FDBDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000789593509 933112146 /nfs/dbraw/zinc/11/21/46/933112146.db2.gz WWBDBWGDYMQVCE-CQSZACIVSA-N 2 1 367.362 1.611 20 5 FDBDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000789593509 933112153 /nfs/dbraw/zinc/11/21/53/933112153.db2.gz WWBDBWGDYMQVCE-CQSZACIVSA-N 2 1 367.362 1.611 20 5 FDBDMP COCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC[NH+](C)CC1 ZINC000879125438 994560077 /nfs/dbraw/zinc/56/00/77/994560077.db2.gz CDJFOMMQFPHTTP-GOSISDBHSA-N 2 1 351.447 1.918 20 5 FDBDMP Cn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237924270 178338795 /nfs/dbraw/zinc/33/87/95/178338795.db2.gz YPQCUEJEYRENIX-QGZVFWFLSA-N 2 1 359.430 1.542 20 5 FDBDMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000090015321 172259522 /nfs/dbraw/zinc/25/95/22/172259522.db2.gz UIRLBKUPCMLGOE-ZIAGYGMSSA-N 2 1 370.475 1.193 20 5 FDBDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000162408690 525256962 /nfs/dbraw/zinc/25/69/62/525256962.db2.gz IAEWAKUMPXBWOZ-MRXNPFEDSA-N 2 1 362.430 1.212 20 5 FDBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000170628287 525647643 /nfs/dbraw/zinc/64/76/43/525647643.db2.gz GLNGIXWJGPQGCX-HNNXBMFYSA-N 2 1 363.462 1.786 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246590975 536987722 /nfs/dbraw/zinc/98/77/22/536987722.db2.gz MLJXGPDLJQJDBE-ZFWWWQNUSA-N 2 1 368.459 1.090 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246590975 536987724 /nfs/dbraw/zinc/98/77/24/536987724.db2.gz MLJXGPDLJQJDBE-ZFWWWQNUSA-N 2 1 368.459 1.090 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061698 538388417 /nfs/dbraw/zinc/38/84/17/538388417.db2.gz SHHNMXNIGQYNQY-QWHCGFSZSA-N 2 1 350.419 1.991 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061698 538388422 /nfs/dbraw/zinc/38/84/22/538388422.db2.gz SHHNMXNIGQYNQY-QWHCGFSZSA-N 2 1 350.419 1.991 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000566355932 547728860 /nfs/dbraw/zinc/72/88/60/547728860.db2.gz LYCVKBNKLBKHSB-GFCCVEGCSA-N 2 1 350.419 1.991 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591282636 551855838 /nfs/dbraw/zinc/85/58/38/551855838.db2.gz IODZTIAUKBMRNU-CQSZACIVSA-N 2 1 363.414 1.911 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335176 553378409 /nfs/dbraw/zinc/37/84/09/553378409.db2.gz RDYWYWBJUIRCOF-HIFRSBDPSA-N 2 1 360.414 1.967 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335176 553378410 /nfs/dbraw/zinc/37/84/10/553378410.db2.gz RDYWYWBJUIRCOF-HIFRSBDPSA-N 2 1 360.414 1.967 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602844335 553649442 /nfs/dbraw/zinc/64/94/42/553649442.db2.gz AVNQRKIEWGZGGV-GOSISDBHSA-N 2 1 372.425 1.942 20 5 FDBDMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000602893888 553663844 /nfs/dbraw/zinc/66/38/44/553663844.db2.gz WVISCQIHHYXHGG-QGZVFWFLSA-N 2 1 350.419 1.312 20 5 FDBDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000602893888 553663847 /nfs/dbraw/zinc/66/38/47/553663847.db2.gz WVISCQIHHYXHGG-QGZVFWFLSA-N 2 1 350.419 1.312 20 5 FDBDMP [NH3+]CCCOC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430593583 776494434 /nfs/dbraw/zinc/49/44/34/776494434.db2.gz PEACDPSFJJGBFG-QGZVFWFLSA-N 2 1 362.430 1.530 20 5 FDBDMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415146503 791501227 /nfs/dbraw/zinc/50/12/27/791501227.db2.gz YROFBAQDWZQEQS-DLBZAZTESA-N 2 1 373.457 1.623 20 5 FDBDMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415146503 791501239 /nfs/dbraw/zinc/50/12/39/791501239.db2.gz YROFBAQDWZQEQS-DLBZAZTESA-N 2 1 373.457 1.623 20 5 FDBDMP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000420350473 813623425 /nfs/dbraw/zinc/62/34/25/813623425.db2.gz SXKLCUQUFYICSD-HNNXBMFYSA-N 2 1 358.402 1.124 20 5 FDBDMP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000420350473 813623431 /nfs/dbraw/zinc/62/34/31/813623431.db2.gz SXKLCUQUFYICSD-HNNXBMFYSA-N 2 1 358.402 1.124 20 5 FDBDMP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N[C@H]2CC[NH+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895741091 822724613 /nfs/dbraw/zinc/72/46/13/822724613.db2.gz YXDSIAXNTRJBFA-YIYPIFLZSA-N 2 1 363.466 1.702 20 5 FDBDMP Cc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@H]2CC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895741091 822724615 /nfs/dbraw/zinc/72/46/15/822724615.db2.gz YXDSIAXNTRJBFA-YIYPIFLZSA-N 2 1 363.466 1.702 20 5 FDBDMP Cc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895741091 822724616 /nfs/dbraw/zinc/72/46/16/822724616.db2.gz YXDSIAXNTRJBFA-YIYPIFLZSA-N 2 1 363.466 1.702 20 5 FDBDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCn3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000856586539 971237118 /nfs/dbraw/zinc/23/71/18/971237118.db2.gz SIAYKSPOBMKBKE-GOSISDBHSA-N 2 1 374.445 1.791 20 5 FDBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000856586539 971237123 /nfs/dbraw/zinc/23/71/23/971237123.db2.gz SIAYKSPOBMKBKE-GOSISDBHSA-N 2 1 374.445 1.791 20 5 FDBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000856586539 971237129 /nfs/dbraw/zinc/23/71/29/971237129.db2.gz SIAYKSPOBMKBKE-GOSISDBHSA-N 2 1 374.445 1.791 20 5 FDBDMP C[NH+](C)CCN1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172920968 961829013 /nfs/dbraw/zinc/82/90/13/961829013.db2.gz MVFMUUBTVCGNQF-GOSISDBHSA-N 2 1 374.485 1.938 20 5 FDBDMP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C[NH+](C)C ZINC000870020134 985525373 /nfs/dbraw/zinc/52/53/73/985525373.db2.gz DWVMNOKRCVTSTQ-ZIAGYGMSSA-N 2 1 350.419 1.112 20 5 FDBDMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870895596 986469280 /nfs/dbraw/zinc/46/92/80/986469280.db2.gz KWMBZKNYHVSHFO-DNVCBOLYSA-N 2 1 360.458 1.959 20 5 FDBDMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870895596 986469288 /nfs/dbraw/zinc/46/92/88/986469288.db2.gz KWMBZKNYHVSHFO-DNVCBOLYSA-N 2 1 360.458 1.959 20 5 FDBDMP Cc1c(CN2CCN(CC[N@H+]3CCCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000364329466 989539051 /nfs/dbraw/zinc/53/90/51/989539051.db2.gz RJVZNYDGDLCKAO-UHFFFAOYSA-N 2 1 362.474 1.743 20 5 FDBDMP COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000469998250 993928385 /nfs/dbraw/zinc/92/83/85/993928385.db2.gz FFJPHQAXIKRANJ-HNNXBMFYSA-N 2 1 362.430 1.247 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574470 995027878 /nfs/dbraw/zinc/02/78/78/995027878.db2.gz ADTNHELCXLHPBU-XJKSGUPXSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574470 995027886 /nfs/dbraw/zinc/02/78/86/995027886.db2.gz ADTNHELCXLHPBU-XJKSGUPXSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574470 995027896 /nfs/dbraw/zinc/02/78/96/995027896.db2.gz ADTNHELCXLHPBU-XJKSGUPXSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574470 995027901 /nfs/dbraw/zinc/02/79/01/995027901.db2.gz ADTNHELCXLHPBU-XJKSGUPXSA-N 2 1 362.430 1.958 20 5 FDBDMP C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000880264680 995767614 /nfs/dbraw/zinc/76/76/14/995767614.db2.gz ZGXVAHKXGWDRSF-YJBOKZPZSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000880264680 995767620 /nfs/dbraw/zinc/76/76/20/995767620.db2.gz ZGXVAHKXGWDRSF-YJBOKZPZSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000887134740 996960638 /nfs/dbraw/zinc/96/06/38/996960638.db2.gz POAZALCXNNLZGS-NVXWUHKLSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000887134740 996960643 /nfs/dbraw/zinc/96/06/43/996960643.db2.gz POAZALCXNNLZGS-NVXWUHKLSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000887134742 996961227 /nfs/dbraw/zinc/96/12/27/996961227.db2.gz POAZALCXNNLZGS-WBVHZDCISA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000887134742 996961228 /nfs/dbraw/zinc/96/12/28/996961228.db2.gz POAZALCXNNLZGS-WBVHZDCISA-N 2 1 372.425 1.940 20 5 FDBDMP CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368016904 260123609 /nfs/dbraw/zinc/12/36/09/260123609.db2.gz ISZVTIHMSHGILG-CQSZACIVSA-N 2 1 361.446 1.418 20 5 FDBDMP CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368016904 260123611 /nfs/dbraw/zinc/12/36/11/260123611.db2.gz ISZVTIHMSHGILG-CQSZACIVSA-N 2 1 361.446 1.418 20 5 FDBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174729309 524710627 /nfs/dbraw/zinc/71/06/27/524710627.db2.gz PRMJTNSDIPROBI-UHFFFAOYSA-N 2 1 363.462 1.493 20 5 FDBDMP C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248594258 537195507 /nfs/dbraw/zinc/19/55/07/537195507.db2.gz SEUIRGWEZROVSO-GRDNDAEWSA-N 2 1 351.451 1.395 20 5 FDBDMP Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000469857104 538817761 /nfs/dbraw/zinc/81/77/61/538817761.db2.gz XUQAZSNKOQPASR-IAGOWNOFSA-N 2 1 360.458 1.983 20 5 FDBDMP [NH3+][C@H]1C[C@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000580217302 550956429 /nfs/dbraw/zinc/95/64/29/550956429.db2.gz ZWJZLUZSGJINQY-GJZGRUSLSA-N 2 1 371.397 1.036 20 5 FDBDMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000580217302 550956430 /nfs/dbraw/zinc/95/64/30/550956430.db2.gz ZWJZLUZSGJINQY-GJZGRUSLSA-N 2 1 371.397 1.036 20 5 FDBDMP Cn1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592428388 551993973 /nfs/dbraw/zinc/99/39/73/551993973.db2.gz FSQWDKDIEDPJSF-UHFFFAOYSA-N 2 1 358.446 1.332 20 5 FDBDMP C[N@H+]1CCN(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000619655466 555818223 /nfs/dbraw/zinc/81/82/23/555818223.db2.gz CSZCMJFRTUCIIR-UHFFFAOYSA-N 2 1 364.446 1.482 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262043012 774648173 /nfs/dbraw/zinc/64/81/73/774648173.db2.gz YNAKXTVDGAEYFV-RRFJBIMHSA-N 2 1 363.414 1.706 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262043012 774648179 /nfs/dbraw/zinc/64/81/79/774648179.db2.gz YNAKXTVDGAEYFV-RRFJBIMHSA-N 2 1 363.414 1.706 20 5 FDBDMP C[C@@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000312747820 795928801 /nfs/dbraw/zinc/92/88/01/795928801.db2.gz YVCNMNPIKJPIAN-OALUTQOASA-N 2 1 373.457 1.654 20 5 FDBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000420350130 813623278 /nfs/dbraw/zinc/62/32/78/813623278.db2.gz RMBOLMGFWJDCLP-HNNXBMFYSA-N 2 1 361.446 1.211 20 5 FDBDMP C[N@@H+]1CC[C@@]2(CC[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000428998686 879444345 /nfs/dbraw/zinc/44/43/45/879444345.db2.gz KQEYTWHAIWFWEO-GOSISDBHSA-N 2 1 360.414 1.920 20 5 FDBDMP C[N@H+]1CC[C@@]2(CC[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000428998686 879444363 /nfs/dbraw/zinc/44/43/63/879444363.db2.gz KQEYTWHAIWFWEO-GOSISDBHSA-N 2 1 360.414 1.920 20 5 FDBDMP C[NH+]1CC[C@@]2(CC[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000428998686 879444379 /nfs/dbraw/zinc/44/43/79/879444379.db2.gz KQEYTWHAIWFWEO-GOSISDBHSA-N 2 1 360.414 1.920 20 5 FDBDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000428998686 879444396 /nfs/dbraw/zinc/44/43/96/879444396.db2.gz KQEYTWHAIWFWEO-GOSISDBHSA-N 2 1 360.414 1.920 20 5 FDBDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818998040 943378244 /nfs/dbraw/zinc/37/82/44/943378244.db2.gz OZPQOKUQBIQIGC-DLBZAZTESA-N 2 1 364.446 1.161 20 5 FDBDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818998040 943378248 /nfs/dbraw/zinc/37/82/48/943378248.db2.gz OZPQOKUQBIQIGC-DLBZAZTESA-N 2 1 364.446 1.161 20 5 FDBDMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000863552629 973010345 /nfs/dbraw/zinc/01/03/45/973010345.db2.gz USYRAYFGUUGUDR-NSHDSACASA-N 2 1 358.826 1.743 20 5 FDBDMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000863552629 973010356 /nfs/dbraw/zinc/01/03/56/973010356.db2.gz USYRAYFGUUGUDR-NSHDSACASA-N 2 1 358.826 1.743 20 5 FDBDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369825748 989218600 /nfs/dbraw/zinc/21/86/00/989218600.db2.gz KJFPZZHLEOSWNV-JFIYKMOQSA-N 2 1 365.478 1.739 20 5 FDBDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369825748 989218608 /nfs/dbraw/zinc/21/86/08/989218608.db2.gz KJFPZZHLEOSWNV-JFIYKMOQSA-N 2 1 365.478 1.739 20 5 FDBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369825748 989218614 /nfs/dbraw/zinc/21/86/14/989218614.db2.gz KJFPZZHLEOSWNV-JFIYKMOQSA-N 2 1 365.478 1.739 20 5 FDBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369825748 989218619 /nfs/dbraw/zinc/21/86/19/989218619.db2.gz KJFPZZHLEOSWNV-JFIYKMOQSA-N 2 1 365.478 1.739 20 5 FDBDMP C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880261553 995764896 /nfs/dbraw/zinc/76/48/96/995764896.db2.gz WKEYNMKMILRNTG-RDJZCZTQSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880261553 995764907 /nfs/dbraw/zinc/76/49/07/995764907.db2.gz WKEYNMKMILRNTG-RDJZCZTQSA-N 2 1 372.425 1.940 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740525 1005626241 /nfs/dbraw/zinc/62/62/41/1005626241.db2.gz POVKGLZFERTSMC-SCLBCKFNSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740525 1005626249 /nfs/dbraw/zinc/62/62/49/1005626249.db2.gz POVKGLZFERTSMC-SCLBCKFNSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933740525 1005626254 /nfs/dbraw/zinc/62/62/54/1005626254.db2.gz POVKGLZFERTSMC-SCLBCKFNSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933740525 1005626257 /nfs/dbraw/zinc/62/62/57/1005626257.db2.gz POVKGLZFERTSMC-SCLBCKFNSA-N 2 1 362.430 1.816 20 5 FDBDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367622766 260069161 /nfs/dbraw/zinc/06/91/61/260069161.db2.gz JVXBOJHEQLGJLV-LPHOPBHVSA-N 2 1 362.474 1.588 20 5 FDBDMP CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368016902 260123457 /nfs/dbraw/zinc/12/34/57/260123457.db2.gz ISZVTIHMSHGILG-AWEZNQCLSA-N 2 1 361.446 1.418 20 5 FDBDMP CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368016902 260123458 /nfs/dbraw/zinc/12/34/58/260123458.db2.gz ISZVTIHMSHGILG-AWEZNQCLSA-N 2 1 361.446 1.418 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000156394013 526126532 /nfs/dbraw/zinc/12/65/32/526126532.db2.gz MJLKMHXGHOBVRW-YJBOKZPZSA-N 2 1 359.382 1.883 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](Oc3ccncc3)C2)c1 ZINC000156394013 526126538 /nfs/dbraw/zinc/12/65/38/526126538.db2.gz MJLKMHXGHOBVRW-YJBOKZPZSA-N 2 1 359.382 1.883 20 5 FDBDMP O=C(NC[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)[C@H]1CCC[NH2+]1 ZINC000261796653 537253261 /nfs/dbraw/zinc/25/32/61/537253261.db2.gz ZPBAPICWMOYKHJ-TZMCWYRMSA-N 2 1 352.460 1.737 20 5 FDBDMP O=C(NC[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)[C@H]1CCC[NH2+]1 ZINC000261796653 537253262 /nfs/dbraw/zinc/25/32/62/537253262.db2.gz ZPBAPICWMOYKHJ-TZMCWYRMSA-N 2 1 352.460 1.737 20 5 FDBDMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420335447 538267608 /nfs/dbraw/zinc/26/76/08/538267608.db2.gz HMESOBCZJGMIDW-QGZVFWFLSA-N 2 1 358.442 1.948 20 5 FDBDMP COc1ccc(NC(=O)CC[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000420353868 538275283 /nfs/dbraw/zinc/27/52/83/538275283.db2.gz AUWZDLKTSOUMDG-NVGCLXPQSA-N 2 1 350.419 1.908 20 5 FDBDMP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000571627963 549711894 /nfs/dbraw/zinc/71/18/94/549711894.db2.gz LWXPYXMXWAZLSS-WBVHZDCISA-N 2 1 374.441 1.463 20 5 FDBDMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000571627963 549711899 /nfs/dbraw/zinc/71/18/99/549711899.db2.gz LWXPYXMXWAZLSS-WBVHZDCISA-N 2 1 374.441 1.463 20 5 FDBDMP O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cn1 ZINC000579482971 550878484 /nfs/dbraw/zinc/87/84/84/550878484.db2.gz LNAQOXNNVXWPFR-UHFFFAOYSA-N 2 1 353.426 1.958 20 5 FDBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593729639 552184843 /nfs/dbraw/zinc/18/48/43/552184843.db2.gz HHONXRVDDQXOHH-KBRIMQKVSA-N 2 1 362.430 1.894 20 5 FDBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593729639 552184846 /nfs/dbraw/zinc/18/48/46/552184846.db2.gz HHONXRVDDQXOHH-KBRIMQKVSA-N 2 1 362.430 1.894 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600750213 553310953 /nfs/dbraw/zinc/31/09/53/553310953.db2.gz USAUMOQBEJJDFY-HDICACEKSA-N 2 1 362.430 1.863 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600750213 553310955 /nfs/dbraw/zinc/31/09/55/553310955.db2.gz USAUMOQBEJJDFY-HDICACEKSA-N 2 1 362.430 1.863 20 5 FDBDMP COCC[NH+]1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602533427 553600201 /nfs/dbraw/zinc/60/02/01/553600201.db2.gz YGTRGPFDXCSFFM-UHFFFAOYSA-N 2 1 363.462 1.659 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878520 553657994 /nfs/dbraw/zinc/65/79/94/553657994.db2.gz XYQSLOOAZSLJKP-UHFFFAOYSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878520 553657996 /nfs/dbraw/zinc/65/79/96/553657996.db2.gz XYQSLOOAZSLJKP-UHFFFAOYSA-N 2 1 362.430 1.960 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602888700 553660878 /nfs/dbraw/zinc/66/08/78/553660878.db2.gz AXWODAJNOGOORY-GOSISDBHSA-N 2 1 364.446 1.620 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602888700 553660881 /nfs/dbraw/zinc/66/08/81/553660881.db2.gz AXWODAJNOGOORY-GOSISDBHSA-N 2 1 364.446 1.620 20 5 FDBDMP COc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000261998028 672708879 /nfs/dbraw/zinc/70/88/79/672708879.db2.gz KYSKEBMKWZXGME-AWEZNQCLSA-N 2 1 350.419 1.423 20 5 FDBDMP COc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000261998028 672708880 /nfs/dbraw/zinc/70/88/80/672708880.db2.gz KYSKEBMKWZXGME-AWEZNQCLSA-N 2 1 350.419 1.423 20 5 FDBDMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422949776 680767807 /nfs/dbraw/zinc/76/78/07/680767807.db2.gz WIPJZXYPMHSVMN-HUUCEWRRSA-N 2 1 356.448 1.123 20 5 FDBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000470008041 684998942 /nfs/dbraw/zinc/99/89/42/684998942.db2.gz HPLNAXNVXTZXOB-CYBMUJFWSA-N 2 1 350.419 1.280 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350745 813623624 /nfs/dbraw/zinc/62/36/24/813623624.db2.gz USBYLGUSFTXIFC-MRXNPFEDSA-N 2 1 361.446 1.211 20 5 FDBDMP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N[C@H]2CC[NH+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895741090 822724741 /nfs/dbraw/zinc/72/47/41/822724741.db2.gz YXDSIAXNTRJBFA-RFQIPJPRSA-N 2 1 363.466 1.702 20 5 FDBDMP Cc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@H]2CC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895741090 822724743 /nfs/dbraw/zinc/72/47/43/822724743.db2.gz YXDSIAXNTRJBFA-RFQIPJPRSA-N 2 1 363.466 1.702 20 5 FDBDMP Cc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895741090 822724745 /nfs/dbraw/zinc/72/47/45/822724745.db2.gz YXDSIAXNTRJBFA-RFQIPJPRSA-N 2 1 363.466 1.702 20 5 FDBDMP COCCN1CCOC[C@]2(CCC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169022793 928246768 /nfs/dbraw/zinc/24/67/68/928246768.db2.gz SRKYAVAVSQTFOO-KZNAEPCWSA-N 2 1 355.479 1.493 20 5 FDBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)CCN2CC[NH+](C)CC2)c1F ZINC001173196826 961961269 /nfs/dbraw/zinc/96/12/69/961961269.db2.gz PPMHYCAVRDWMBE-CQSZACIVSA-N 2 1 368.453 1.853 20 5 FDBDMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000880256009 995760383 /nfs/dbraw/zinc/76/03/83/995760383.db2.gz COMXAKSLVPNDEY-KRWDZBQOSA-N 2 1 365.478 1.883 20 5 FDBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000887130331 996958156 /nfs/dbraw/zinc/95/81/56/996958156.db2.gz BNQGODILVVMYQR-CRAIPNDOSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000887130331 996958163 /nfs/dbraw/zinc/95/81/63/996958163.db2.gz BNQGODILVVMYQR-CRAIPNDOSA-N 2 1 372.425 1.940 20 5 FDBDMP CC(C)[NH+]1CCC(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000332160696 259246130 /nfs/dbraw/zinc/24/61/30/259246130.db2.gz QOGWUAUJBBVDDY-UHFFFAOYSA-N 2 1 350.467 1.282 20 5 FDBDMP C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369270413 260327185 /nfs/dbraw/zinc/32/71/85/260327185.db2.gz YNQYRARDNJZSGL-APWZRJJASA-N 2 1 362.474 1.931 20 5 FDBDMP C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369270413 260327186 /nfs/dbraw/zinc/32/71/86/260327186.db2.gz YNQYRARDNJZSGL-APWZRJJASA-N 2 1 362.474 1.931 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478660 524816780 /nfs/dbraw/zinc/81/67/80/524816780.db2.gz IUNQSXACZUGWFB-CYBMUJFWSA-N 2 1 350.419 1.816 20 5 FDBDMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000162103208 525213379 /nfs/dbraw/zinc/21/33/79/525213379.db2.gz BFNUXFZCUIRKCM-CZUORRHYSA-N 2 1 370.475 1.193 20 5 FDBDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000109147083 526082195 /nfs/dbraw/zinc/08/21/95/526082195.db2.gz SNMFXWMUVGWMBD-CZUORRHYSA-N 2 1 355.398 1.810 20 5 FDBDMP O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246303859 536921711 /nfs/dbraw/zinc/92/17/11/536921711.db2.gz DHBJNHXJYQXTDD-KGLIPLIRSA-N 2 1 368.459 1.090 20 5 FDBDMP O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246303859 536921714 /nfs/dbraw/zinc/92/17/14/536921714.db2.gz DHBJNHXJYQXTDD-KGLIPLIRSA-N 2 1 368.459 1.090 20 5 FDBDMP Cc1c(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000420397215 538285898 /nfs/dbraw/zinc/28/58/98/538285898.db2.gz FHQGBHSAFDMGSE-AEFFLSMTSA-N 2 1 373.457 1.623 20 5 FDBDMP Cc1c(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000420397215 538285900 /nfs/dbraw/zinc/28/59/00/538285900.db2.gz FHQGBHSAFDMGSE-AEFFLSMTSA-N 2 1 373.457 1.623 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000571605033 549704754 /nfs/dbraw/zinc/70/47/54/549704754.db2.gz QHOCTEFFBQVJPU-SFHVURJKSA-N 2 1 359.430 1.190 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000571605033 549704755 /nfs/dbraw/zinc/70/47/55/549704755.db2.gz QHOCTEFFBQVJPU-SFHVURJKSA-N 2 1 359.430 1.190 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000574324457 550296285 /nfs/dbraw/zinc/29/62/85/550296285.db2.gz ZRGLJHGIAYXSJL-NWANDNLSSA-N 2 1 362.430 1.991 20 5 FDBDMP C[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598961837 552951733 /nfs/dbraw/zinc/95/17/33/552951733.db2.gz CKHHNEJPIFOXKN-ZDUSSCGKSA-N 2 1 370.475 1.336 20 5 FDBDMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598961837 552951734 /nfs/dbraw/zinc/95/17/34/552951734.db2.gz CKHHNEJPIFOXKN-ZDUSSCGKSA-N 2 1 370.475 1.336 20 5 FDBDMP O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420318766 680431134 /nfs/dbraw/zinc/43/11/34/680431134.db2.gz OVPHKAMRNPJMSZ-ZDUSSCGKSA-N 2 1 352.460 1.804 20 5 FDBDMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430599325 681085303 /nfs/dbraw/zinc/08/53/03/681085303.db2.gz AHDKHKGPVBFWRZ-CYBMUJFWSA-N 2 1 350.419 1.863 20 5 FDBDMP O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000430640758 681088764 /nfs/dbraw/zinc/08/87/64/681088764.db2.gz KPSCIRSDOHIAAL-CQSZACIVSA-N 2 1 366.849 1.892 20 5 FDBDMP O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000430640758 681088765 /nfs/dbraw/zinc/08/87/65/681088765.db2.gz KPSCIRSDOHIAAL-CQSZACIVSA-N 2 1 366.849 1.892 20 5 FDBDMP COCC[NH2+]C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000519821639 690276024 /nfs/dbraw/zinc/27/60/24/690276024.db2.gz BSJFDZFOTSQVJM-UHFFFAOYSA-N 2 1 350.419 1.624 20 5 FDBDMP [NH3+]CCCOC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000430563268 776000824 /nfs/dbraw/zinc/00/08/24/776000824.db2.gz VDMSJCDDMADBPN-UHFFFAOYSA-N 2 1 362.430 1.314 20 5 FDBDMP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+]CC[NH2+]CC1 ZINC000923466565 889324158 /nfs/dbraw/zinc/32/41/58/889324158.db2.gz PYFOELKFJOPUCZ-LLVKDONJSA-N 2 1 355.826 1.070 20 5 FDBDMP C[NH+](C)CCOCc1ncn2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169021909 928245243 /nfs/dbraw/zinc/24/52/43/928245243.db2.gz BBRYGUTXXMIGSD-CVEARBPZSA-N 2 1 365.478 1.612 20 5 FDBDMP COCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000517125843 539348749 /nfs/dbraw/zinc/34/87/49/539348749.db2.gz CHWJCZKPJATHJQ-UHFFFAOYSA-N 2 1 350.419 1.624 20 5 FDBDMP Cn1cc[nH+]c1N1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000269728469 180372296 /nfs/dbraw/zinc/37/22/96/180372296.db2.gz XDDNYNUSPRNXGC-UHFFFAOYSA-N 2 1 359.386 1.517 20 5 FDBDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144107 541722140 /nfs/dbraw/zinc/72/21/40/541722140.db2.gz WZPDNOTWLABHQF-DLBZAZTESA-N 2 1 363.458 1.998 20 5 FDBDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144107 541722144 /nfs/dbraw/zinc/72/21/44/541722144.db2.gz WZPDNOTWLABHQF-DLBZAZTESA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144107 541722147 /nfs/dbraw/zinc/72/21/47/541722147.db2.gz WZPDNOTWLABHQF-DLBZAZTESA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144107 541722150 /nfs/dbraw/zinc/72/21/50/541722150.db2.gz WZPDNOTWLABHQF-DLBZAZTESA-N 2 1 363.458 1.998 20 5 FDBDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181943397 525992410 /nfs/dbraw/zinc/99/24/10/525992410.db2.gz BMVLXJAJZJTARX-HOTGVXAUSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181943397 525992417 /nfs/dbraw/zinc/99/24/17/525992417.db2.gz BMVLXJAJZJTARX-HOTGVXAUSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181943397 525992427 /nfs/dbraw/zinc/99/24/27/525992427.db2.gz BMVLXJAJZJTARX-HOTGVXAUSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181943397 525992433 /nfs/dbraw/zinc/99/24/33/525992433.db2.gz BMVLXJAJZJTARX-HOTGVXAUSA-N 2 1 351.447 1.998 20 5 FDBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000183147876 535928588 /nfs/dbraw/zinc/92/85/88/535928588.db2.gz KMEDVFDGPMFCPM-UGSOOPFHSA-N 2 1 370.413 1.997 20 5 FDBDMP C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247559916 537134270 /nfs/dbraw/zinc/13/42/70/537134270.db2.gz QRZFSXYJYWSLBU-IEBWSBKVSA-N 2 1 373.457 1.606 20 5 FDBDMP C[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247559916 537134272 /nfs/dbraw/zinc/13/42/72/537134272.db2.gz QRZFSXYJYWSLBU-IEBWSBKVSA-N 2 1 373.457 1.606 20 5 FDBDMP Cc1c(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000420397216 538285887 /nfs/dbraw/zinc/28/58/87/538285887.db2.gz FHQGBHSAFDMGSE-FUHWJXTLSA-N 2 1 373.457 1.623 20 5 FDBDMP Cc1c(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000420397216 538285892 /nfs/dbraw/zinc/28/58/92/538285892.db2.gz FHQGBHSAFDMGSE-FUHWJXTLSA-N 2 1 373.457 1.623 20 5 FDBDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000563713327 546657754 /nfs/dbraw/zinc/65/77/54/546657754.db2.gz IDWOJCXVDDDBJA-WBVHZDCISA-N 2 1 373.413 1.973 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000567891252 548311351 /nfs/dbraw/zinc/31/13/51/548311351.db2.gz STAVCAKMNUUAPG-QEJZJMRPSA-N 2 1 362.430 1.991 20 5 FDBDMP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000577069673 550617199 /nfs/dbraw/zinc/61/71/99/550617199.db2.gz RGMZPDOYKOEUBK-LBPRGKRZSA-N 2 1 350.419 1.991 20 5 FDBDMP NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c([N+](=O)[O-])c1 ZINC000593729448 552184603 /nfs/dbraw/zinc/18/46/03/552184603.db2.gz FFXQYKTVIGVFSB-INMHGKMJSA-N 2 1 362.430 1.555 20 5 FDBDMP NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c([N+](=O)[O-])c1 ZINC000593729450 552184832 /nfs/dbraw/zinc/18/48/32/552184832.db2.gz FFXQYKTVIGVFSB-ZMSDIMECSA-N 2 1 362.430 1.555 20 5 FDBDMP Cc1c(Br)c(NCC[N@@H+](C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596425593 552678255 /nfs/dbraw/zinc/67/82/55/552678255.db2.gz RKUHIRWIDLOYIT-UHFFFAOYSA-N 2 1 374.283 2.356 20 5 FDBDMP Cc1c(Br)c(NCC[N@H+](C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596425593 552678256 /nfs/dbraw/zinc/67/82/56/552678256.db2.gz RKUHIRWIDLOYIT-UHFFFAOYSA-N 2 1 374.283 2.356 20 5 FDBDMP CN(C)C(=O)CC[NH+]1CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601115794 553349252 /nfs/dbraw/zinc/34/92/52/553349252.db2.gz KTOLTRSOZXRRAY-UHFFFAOYSA-N 2 1 371.441 1.920 20 5 FDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[NH+]3CCC(O)CC3)CC2)cn1 ZINC000602527600 553599216 /nfs/dbraw/zinc/59/92/16/553599216.db2.gz RCBJVMAXWIVBMO-UHFFFAOYSA-N 2 1 363.462 1.395 20 5 FDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000602797415 553640521 /nfs/dbraw/zinc/64/05/21/553640521.db2.gz IRIXLBXVOMZFCQ-ZBFHGGJFSA-N 2 1 350.467 1.058 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847982 553650165 /nfs/dbraw/zinc/65/01/65/553650165.db2.gz WXJVZZHCOGHCIM-QGZVFWFLSA-N 2 1 372.425 1.942 20 5 FDBDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602876622 553657682 /nfs/dbraw/zinc/65/76/82/553657682.db2.gz HMPYRZQJYHNYKT-KRWDZBQOSA-N 2 1 350.419 1.312 20 5 FDBDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602876622 553657685 /nfs/dbraw/zinc/65/76/85/553657685.db2.gz HMPYRZQJYHNYKT-KRWDZBQOSA-N 2 1 350.419 1.312 20 5 FDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602894596 553663874 /nfs/dbraw/zinc/66/38/74/553663874.db2.gz YAODMUIIPSVWSN-GOSISDBHSA-N 2 1 364.446 1.620 20 5 FDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602894596 553663876 /nfs/dbraw/zinc/66/38/76/553663876.db2.gz YAODMUIIPSVWSN-GOSISDBHSA-N 2 1 364.446 1.620 20 5 FDBDMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422933539 680766348 /nfs/dbraw/zinc/76/63/48/680766348.db2.gz HZOXMIMCYMBBTC-LSDHHAIUSA-N 2 1 356.448 1.123 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420363759 680436724 /nfs/dbraw/zinc/43/67/24/680436724.db2.gz JRIHELUNPKQSIT-BWACUDIHSA-N 2 1 350.419 1.908 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443064410 682225631 /nfs/dbraw/zinc/22/56/31/682225631.db2.gz YCIHTBTZNDUESH-ZDUSSCGKSA-N 2 1 350.419 1.993 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262043015 774648271 /nfs/dbraw/zinc/64/82/71/774648271.db2.gz YNAKXTVDGAEYFV-ZNMIVQPWSA-N 2 1 363.414 1.706 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262043015 774648275 /nfs/dbraw/zinc/64/82/75/774648275.db2.gz YNAKXTVDGAEYFV-ZNMIVQPWSA-N 2 1 363.414 1.706 20 5 FDBDMP C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000313083284 801253752 /nfs/dbraw/zinc/25/37/52/801253752.db2.gz XCWHMCLRXPXULK-VDZJLULYSA-N 2 1 373.457 1.652 20 5 FDBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910757 961850186 /nfs/dbraw/zinc/85/01/86/961850186.db2.gz COMSKXSPAPURFS-QGZVFWFLSA-N 2 1 360.458 1.596 20 5 FDBDMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870895595 986469123 /nfs/dbraw/zinc/46/91/23/986469123.db2.gz KWMBZKNYHVSHFO-BEFAXECRSA-N 2 1 360.458 1.959 20 5 FDBDMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870895595 986469145 /nfs/dbraw/zinc/46/91/45/986469145.db2.gz KWMBZKNYHVSHFO-BEFAXECRSA-N 2 1 360.458 1.959 20 5 FDBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289473383 1000101407 /nfs/dbraw/zinc/10/14/07/1000101407.db2.gz RFBQANUQXPAYPF-HNNXBMFYSA-N 2 1 365.478 1.737 20 5 FDBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289473383 1000101410 /nfs/dbraw/zinc/10/14/10/1000101410.db2.gz RFBQANUQXPAYPF-HNNXBMFYSA-N 2 1 365.478 1.737 20 5 FDBDMP C[N@@H+](C[C@H]1CC12CC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC2)C1CC1 ZINC000378354394 262010002 /nfs/dbraw/zinc/01/00/02/262010002.db2.gz GRDPBZGMGHUJLG-OAHLLOKOSA-N 2 1 360.458 1.953 20 5 FDBDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081636289 524159890 /nfs/dbraw/zinc/15/98/90/524159890.db2.gz YMCAFRLMQNKEMS-AEFFLSMTSA-N 2 1 363.458 1.998 20 5 FDBDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081636289 524159901 /nfs/dbraw/zinc/15/99/01/524159901.db2.gz YMCAFRLMQNKEMS-AEFFLSMTSA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081636289 524159909 /nfs/dbraw/zinc/15/99/09/524159909.db2.gz YMCAFRLMQNKEMS-AEFFLSMTSA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081636289 524159919 /nfs/dbraw/zinc/15/99/19/524159919.db2.gz YMCAFRLMQNKEMS-AEFFLSMTSA-N 2 1 363.458 1.998 20 5 FDBDMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247094812 537080885 /nfs/dbraw/zinc/08/08/85/537080885.db2.gz RVOFKDNSFXZBFW-XJKSGUPXSA-N 2 1 370.475 1.193 20 5 FDBDMP O=C(NC[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261796651 537253207 /nfs/dbraw/zinc/25/32/07/537253207.db2.gz ZPBAPICWMOYKHJ-OCCSQVGLSA-N 2 1 352.460 1.737 20 5 FDBDMP O=C(NC[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261796651 537253210 /nfs/dbraw/zinc/25/32/10/537253210.db2.gz ZPBAPICWMOYKHJ-OCCSQVGLSA-N 2 1 352.460 1.737 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000372588301 537981455 /nfs/dbraw/zinc/98/14/55/537981455.db2.gz XAPFXZVDBGPZFA-RDJZCZTQSA-N 2 1 351.451 1.350 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000372588301 537981460 /nfs/dbraw/zinc/98/14/60/537981460.db2.gz XAPFXZVDBGPZFA-RDJZCZTQSA-N 2 1 351.451 1.350 20 5 FDBDMP NC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c([N+](=O)[O-])c1 ZINC000593736084 552187312 /nfs/dbraw/zinc/18/73/12/552187312.db2.gz FPLJZYJCHICZCI-UXLLHSPISA-N 2 1 362.430 1.412 20 5 FDBDMP C[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598965077 552952186 /nfs/dbraw/zinc/95/21/86/552952186.db2.gz UUYNOKNKVPVPCN-CYBMUJFWSA-N 2 1 370.475 1.336 20 5 FDBDMP C[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598965077 552952188 /nfs/dbraw/zinc/95/21/88/552952188.db2.gz UUYNOKNKVPVPCN-CYBMUJFWSA-N 2 1 370.475 1.336 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335178 553378283 /nfs/dbraw/zinc/37/82/83/553378283.db2.gz RDYWYWBJUIRCOF-ZFWWWQNUSA-N 2 1 360.414 1.967 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335178 553378285 /nfs/dbraw/zinc/37/82/85/553378285.db2.gz RDYWYWBJUIRCOF-ZFWWWQNUSA-N 2 1 360.414 1.967 20 5 FDBDMP O=C([C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000262003748 672710191 /nfs/dbraw/zinc/71/01/91/672710191.db2.gz UJGQLWNDTCYNKJ-AWEZNQCLSA-N 2 1 366.849 1.892 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C)[C@@H]2CN)c([N+](=O)[O-])c1 ZINC000420294097 680427765 /nfs/dbraw/zinc/42/77/65/680427765.db2.gz SJEKRZPUVBZFPB-LRDDRELGSA-N 2 1 350.419 1.991 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430964410 681101980 /nfs/dbraw/zinc/10/19/80/681101980.db2.gz DZFLFHRZEMERQL-VXGBXAGGSA-N 2 1 350.419 1.990 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311822666 790336994 /nfs/dbraw/zinc/33/69/94/790336994.db2.gz QPMCGPYZKYUCIZ-WMZOPIPTSA-N 2 1 359.430 1.264 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311822651 790354671 /nfs/dbraw/zinc/35/46/71/790354671.db2.gz QPMCGPYZKYUCIZ-FUHWJXTLSA-N 2 1 359.430 1.264 20 5 FDBDMP COc1c(O)ccc(C[NH2+]CCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000892563005 787313955 /nfs/dbraw/zinc/31/39/55/787313955.db2.gz OCYYRVGNGFFWKJ-UHFFFAOYSA-N 2 1 352.435 1.426 20 5 FDBDMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000474010655 820515994 /nfs/dbraw/zinc/51/59/94/820515994.db2.gz OYURSDPQKHMGDA-HNNXBMFYSA-N 2 1 365.430 1.968 20 5 FDBDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000474010655 820516002 /nfs/dbraw/zinc/51/60/02/820516002.db2.gz OYURSDPQKHMGDA-HNNXBMFYSA-N 2 1 365.430 1.968 20 5 FDBDMP Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000843795838 840952004 /nfs/dbraw/zinc/95/20/04/840952004.db2.gz KTGUMULYZQHEPQ-ZDUSSCGKSA-N 2 1 364.421 1.941 20 5 FDBDMP Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000843795838 840952010 /nfs/dbraw/zinc/95/20/10/840952010.db2.gz KTGUMULYZQHEPQ-ZDUSSCGKSA-N 2 1 364.421 1.941 20 5 FDBDMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819062277 943426358 /nfs/dbraw/zinc/42/63/58/943426358.db2.gz PEFKJLHGJFKRIJ-SFHVURJKSA-N 2 1 350.463 1.636 20 5 FDBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000872255031 987546124 /nfs/dbraw/zinc/54/61/24/987546124.db2.gz OUWZGFKFYOYYNJ-ANZGBYQVSA-N 2 1 358.398 1.475 20 5 FDBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000872255031 987546128 /nfs/dbraw/zinc/54/61/28/987546128.db2.gz OUWZGFKFYOYYNJ-ANZGBYQVSA-N 2 1 358.398 1.475 20 5 FDBDMP C[NH+]1CCC(N2CCC(Nc3ncc([N+](=O)[O-])cc3C(N)=O)CC2)CC1 ZINC000299464928 988506143 /nfs/dbraw/zinc/50/61/43/988506143.db2.gz IZGURMBDVVEXMU-UHFFFAOYSA-N 2 1 362.434 1.059 20 5 FDBDMP C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000362704922 988710406 /nfs/dbraw/zinc/71/04/06/988710406.db2.gz VUFWKVKQDCPQSQ-DLBZAZTESA-N 2 1 362.474 1.931 20 5 FDBDMP C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000362704922 988710414 /nfs/dbraw/zinc/71/04/14/988710414.db2.gz VUFWKVKQDCPQSQ-DLBZAZTESA-N 2 1 362.474 1.931 20 5 FDBDMP C[NH+](C)CCN1CCC(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877019940 993014826 /nfs/dbraw/zinc/01/48/26/993014826.db2.gz IGSFHANPGPCSBG-UHFFFAOYSA-N 2 1 350.467 1.358 20 5 FDBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000887130334 996958021 /nfs/dbraw/zinc/95/80/21/996958021.db2.gz BNQGODILVVMYQR-YJBOKZPZSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000887130334 996958023 /nfs/dbraw/zinc/95/80/23/996958023.db2.gz BNQGODILVVMYQR-YJBOKZPZSA-N 2 1 372.425 1.940 20 5 FDBDMP O=C(CC[N@H+]1CC[C@H](CN2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000129667788 173146844 /nfs/dbraw/zinc/14/68/44/173146844.db2.gz MMMOTTAYTMGZMA-HNNXBMFYSA-N 2 1 362.430 1.578 20 5 FDBDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000367172458 260005515 /nfs/dbraw/zinc/00/55/15/260005515.db2.gz XURQDZOTWFLZLF-KRWDZBQOSA-N 2 1 362.474 1.933 20 5 FDBDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367622765 260069302 /nfs/dbraw/zinc/06/93/02/260069302.db2.gz JVXBOJHEQLGJLV-APWZRJJASA-N 2 1 362.474 1.588 20 5 FDBDMP C[N@@H+](CCN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1)Cc1ccccc1 ZINC000174847271 524760592 /nfs/dbraw/zinc/76/05/92/524760592.db2.gz NJMAAHWOGSOQKG-UHFFFAOYSA-N 2 1 372.473 1.541 20 5 FDBDMP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362482663 537597647 /nfs/dbraw/zinc/59/76/47/537597647.db2.gz GFQLLHYMAIBOLF-RBUKOAKNSA-N 2 1 362.474 1.729 20 5 FDBDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000564850541 547066347 /nfs/dbraw/zinc/06/63/47/547066347.db2.gz VPTZGYSIRDSCSW-DOTOQJQBSA-N 2 1 351.447 1.902 20 5 FDBDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111918 548801559 /nfs/dbraw/zinc/80/15/59/548801559.db2.gz DUGMGFXMYFVWLL-WBVHZDCISA-N 2 1 367.446 1.425 20 5 FDBDMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000574910510 550390919 /nfs/dbraw/zinc/39/09/19/550390919.db2.gz LZDHKGZMXVQRIB-CVEARBPZSA-N 2 1 351.451 1.975 20 5 FDBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000596654392 552697594 /nfs/dbraw/zinc/69/75/94/552697594.db2.gz NTUCFSOXYYSPLO-JTQLQIEISA-N 2 1 360.374 1.056 20 5 FDBDMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601131506 553350943 /nfs/dbraw/zinc/35/09/43/553350943.db2.gz ZLYORSCOTRWNDD-SFHVURJKSA-N 2 1 369.425 1.886 20 5 FDBDMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601131506 553350945 /nfs/dbraw/zinc/35/09/45/553350945.db2.gz ZLYORSCOTRWNDD-SFHVURJKSA-N 2 1 369.425 1.886 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423030392 680773058 /nfs/dbraw/zinc/77/30/58/680773058.db2.gz BUNMTWXSDCYJMK-BRWVUGGUSA-N 2 1 367.471 1.879 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C)[C@H]2CN)c([N+](=O)[O-])c1 ZINC000420294096 680427567 /nfs/dbraw/zinc/42/75/67/680427567.db2.gz SJEKRZPUVBZFPB-BLLLJJGKSA-N 2 1 350.419 1.991 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420363762 680436813 /nfs/dbraw/zinc/43/68/13/680436813.db2.gz JRIHELUNPKQSIT-XWCIJXRUSA-N 2 1 350.419 1.908 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420419232 680443488 /nfs/dbraw/zinc/44/34/88/680443488.db2.gz XKEIEBTZBZOLAC-CHWSQXEVSA-N 2 1 350.419 1.849 20 5 FDBDMP COc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001164682193 719616710 /nfs/dbraw/zinc/61/67/10/719616710.db2.gz BRQFOOAOXPTIBP-UHFFFAOYSA-N 2 1 360.418 1.670 20 5 FDBDMP COc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001164682193 719616721 /nfs/dbraw/zinc/61/67/21/719616721.db2.gz BRQFOOAOXPTIBP-UHFFFAOYSA-N 2 1 360.418 1.670 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000261866319 814801288 /nfs/dbraw/zinc/80/12/88/814801288.db2.gz NPXALMNWIMHHTA-BBRMVZONSA-N 2 1 364.421 1.814 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000261866319 814801289 /nfs/dbraw/zinc/80/12/89/814801289.db2.gz NPXALMNWIMHHTA-BBRMVZONSA-N 2 1 364.421 1.814 20 5 FDBDMP COCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448932934 829303737 /nfs/dbraw/zinc/30/37/37/829303737.db2.gz MWVZOCNXFHOILG-AWEZNQCLSA-N 2 1 359.386 1.231 20 5 FDBDMP COCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448932934 829303749 /nfs/dbraw/zinc/30/37/49/829303749.db2.gz MWVZOCNXFHOILG-AWEZNQCLSA-N 2 1 359.386 1.231 20 5 FDBDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818998046 943378454 /nfs/dbraw/zinc/37/84/54/943378454.db2.gz OZPQOKUQBIQIGC-IRXDYDNUSA-N 2 1 364.446 1.161 20 5 FDBDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818998046 943378459 /nfs/dbraw/zinc/37/84/59/943378459.db2.gz OZPQOKUQBIQIGC-IRXDYDNUSA-N 2 1 364.446 1.161 20 5 FDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cn1 ZINC000877022900 993017077 /nfs/dbraw/zinc/01/70/77/993017077.db2.gz WYVFUEXXXFKRJI-SJORKVTESA-N 2 1 361.446 1.411 20 5 FDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cn1 ZINC000877022900 993017083 /nfs/dbraw/zinc/01/70/83/993017083.db2.gz WYVFUEXXXFKRJI-SJORKVTESA-N 2 1 361.446 1.411 20 5 FDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000877191049 993095236 /nfs/dbraw/zinc/09/52/36/993095236.db2.gz FNIKAKYYSBKAHS-TVPLGVNVSA-N 2 1 371.441 1.851 20 5 FDBDMP Cc1c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000877521928 993318503 /nfs/dbraw/zinc/31/85/03/993318503.db2.gz GJRLVHSKTWALBC-UHFFFAOYSA-N 2 1 360.458 1.889 20 5 FDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCCC[NH+]2CCNCC2)n1 ZINC000925845314 995794394 /nfs/dbraw/zinc/79/43/94/995794394.db2.gz GFHLOIHXVYYZNE-DLBZAZTESA-N 2 1 364.494 1.940 20 5 FDBDMP CN1CCN([C@@H]2CCCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000245520564 178363436 /nfs/dbraw/zinc/36/34/36/178363436.db2.gz JQISUZIPZWCDDT-RTBURBONSA-N 2 1 362.474 1.730 20 5 FDBDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000245520564 178363440 /nfs/dbraw/zinc/36/34/40/178363440.db2.gz JQISUZIPZWCDDT-RTBURBONSA-N 2 1 362.474 1.730 20 5 FDBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274849592 181176512 /nfs/dbraw/zinc/17/65/12/181176512.db2.gz QSRVJDSJLCPHKH-LZQZEXGQSA-N 2 1 373.457 1.652 20 5 FDBDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144109 541722081 /nfs/dbraw/zinc/72/20/81/541722081.db2.gz WZPDNOTWLABHQF-IRXDYDNUSA-N 2 1 363.458 1.998 20 5 FDBDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144109 541722085 /nfs/dbraw/zinc/72/20/85/541722085.db2.gz WZPDNOTWLABHQF-IRXDYDNUSA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144109 541722087 /nfs/dbraw/zinc/72/20/87/541722087.db2.gz WZPDNOTWLABHQF-IRXDYDNUSA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144109 541722092 /nfs/dbraw/zinc/72/20/92/541722092.db2.gz WZPDNOTWLABHQF-IRXDYDNUSA-N 2 1 363.458 1.998 20 5 FDBDMP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362482664 259495351 /nfs/dbraw/zinc/49/53/51/259495351.db2.gz GFQLLHYMAIBOLF-RTBURBONSA-N 2 1 362.474 1.729 20 5 FDBDMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000371329939 260691795 /nfs/dbraw/zinc/69/17/95/260691795.db2.gz PMOOEELIORGBKN-RHSMWYFYSA-N 2 1 363.462 1.349 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280248673 537392945 /nfs/dbraw/zinc/39/29/45/537392945.db2.gz BVRKVDKGGLQSOE-ZIFCJYIRSA-N 2 1 371.441 1.216 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280248673 537392949 /nfs/dbraw/zinc/39/29/49/537392949.db2.gz BVRKVDKGGLQSOE-ZIFCJYIRSA-N 2 1 371.441 1.216 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280248673 537392958 /nfs/dbraw/zinc/39/29/58/537392958.db2.gz BVRKVDKGGLQSOE-ZIFCJYIRSA-N 2 1 371.441 1.216 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280248673 537392963 /nfs/dbraw/zinc/39/29/63/537392963.db2.gz BVRKVDKGGLQSOE-ZIFCJYIRSA-N 2 1 371.441 1.216 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](Oc2ccncc2)C1 ZINC000365677043 537570463 /nfs/dbraw/zinc/57/04/63/537570463.db2.gz LAPOAQHZRMFMOB-GOEBONIOSA-N 2 1 359.382 1.883 20 5 FDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420353171 538274188 /nfs/dbraw/zinc/27/41/88/538274188.db2.gz ZZWIDVBMNIKMQQ-INIZCTEOSA-N 2 1 361.446 1.211 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430540150 538391854 /nfs/dbraw/zinc/39/18/54/538391854.db2.gz GLBBGLCIDOSTSF-CHWSQXEVSA-N 2 1 350.419 1.991 20 5 FDBDMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472614593 538671658 /nfs/dbraw/zinc/67/16/58/538671658.db2.gz VYNPDWLGZRACOE-IRXDYDNUSA-N 2 1 364.494 1.892 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000574324456 550296301 /nfs/dbraw/zinc/29/63/01/550296301.db2.gz ZRGLJHGIAYXSJL-CFVMTHIKSA-N 2 1 362.430 1.991 20 5 FDBDMP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000595907757 552631713 /nfs/dbraw/zinc/63/17/13/552631713.db2.gz XPOVYTBRQQPCQE-HNNXBMFYSA-N 2 1 364.446 1.966 20 5 FDBDMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000595907757 552631714 /nfs/dbraw/zinc/63/17/14/552631714.db2.gz XPOVYTBRQQPCQE-HNNXBMFYSA-N 2 1 364.446 1.966 20 5 FDBDMP COc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000596830942 552715469 /nfs/dbraw/zinc/71/54/69/552715469.db2.gz GFSALXFXQSAGIZ-ZDUSSCGKSA-N 2 1 367.450 1.997 20 5 FDBDMP COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000596830942 552715471 /nfs/dbraw/zinc/71/54/71/552715471.db2.gz GFSALXFXQSAGIZ-ZDUSSCGKSA-N 2 1 367.450 1.997 20 5 FDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000602797411 553640759 /nfs/dbraw/zinc/64/07/59/553640759.db2.gz IRIXLBXVOMZFCQ-GOEBONIOSA-N 2 1 350.467 1.058 20 5 FDBDMP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC[NH2+]1 ZINC000414738847 679367007 /nfs/dbraw/zinc/36/70/07/679367007.db2.gz FMAKDTKDTZPMPW-STQMWFEESA-N 2 1 352.460 1.802 20 5 FDBDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000436058270 681660889 /nfs/dbraw/zinc/66/08/89/681660889.db2.gz IJIKIGWPZJRJIR-AWEZNQCLSA-N 2 1 350.419 1.293 20 5 FDBDMP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)[C@@H]2C1 ZINC000451612696 830409700 /nfs/dbraw/zinc/40/97/00/830409700.db2.gz MMUYZMMFLAAPOS-SJORKVTESA-N 2 1 371.397 1.326 20 5 FDBDMP CN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)[C@@H]2C1 ZINC000451612696 830409705 /nfs/dbraw/zinc/40/97/05/830409705.db2.gz MMUYZMMFLAAPOS-SJORKVTESA-N 2 1 371.397 1.326 20 5 FDBDMP C[NH+](C)CCOC1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000738209201 925137870 /nfs/dbraw/zinc/13/78/70/925137870.db2.gz NMHMRZCHKMTYJP-UHFFFAOYSA-N 2 1 374.445 1.853 20 5 FDBDMP COc1cc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000809998865 940936565 /nfs/dbraw/zinc/93/65/65/940936565.db2.gz YJJIYYBFRYQUEH-OAHLLOKOSA-N 2 1 352.391 1.711 20 5 FDBDMP COc1cc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000809998865 940936567 /nfs/dbraw/zinc/93/65/67/940936567.db2.gz YJJIYYBFRYQUEH-OAHLLOKOSA-N 2 1 352.391 1.711 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855346955 970306852 /nfs/dbraw/zinc/30/68/52/970306852.db2.gz PSNVQTSXMCADOF-NSHDSACASA-N 2 1 355.414 1.318 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855346955 970306858 /nfs/dbraw/zinc/30/68/58/970306858.db2.gz PSNVQTSXMCADOF-NSHDSACASA-N 2 1 355.414 1.318 20 5 FDBDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000849081439 977307303 /nfs/dbraw/zinc/30/73/03/977307303.db2.gz YPCNEVMXNBLURC-UHFFFAOYSA-N 2 1 374.445 1.455 20 5 FDBDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]2C1 ZINC000931436223 1004160209 /nfs/dbraw/zinc/16/02/09/1004160209.db2.gz KXQUZQPZQRDPNB-OLZOCXBDSA-N 2 1 350.394 1.946 20 5 FDBDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]2C1 ZINC000931436223 1004160215 /nfs/dbraw/zinc/16/02/15/1004160215.db2.gz KXQUZQPZQRDPNB-OLZOCXBDSA-N 2 1 350.394 1.946 20 5 FDBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]2C1 ZINC000931436223 1004160223 /nfs/dbraw/zinc/16/02/23/1004160223.db2.gz KXQUZQPZQRDPNB-OLZOCXBDSA-N 2 1 350.394 1.946 20 5 FDBDMP C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110202 172101574 /nfs/dbraw/zinc/10/15/74/172101574.db2.gz QRZFSXYJYWSLBU-MJGOQNOKSA-N 2 1 373.457 1.606 20 5 FDBDMP C[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110202 172101578 /nfs/dbraw/zinc/10/15/78/172101578.db2.gz QRZFSXYJYWSLBU-MJGOQNOKSA-N 2 1 373.457 1.606 20 5 FDBDMP C[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110202 172101581 /nfs/dbraw/zinc/10/15/81/172101581.db2.gz QRZFSXYJYWSLBU-MJGOQNOKSA-N 2 1 373.457 1.606 20 5 FDBDMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000573556734 550163458 /nfs/dbraw/zinc/16/34/58/550163458.db2.gz AHKCYLLESVBCHK-MRXNPFEDSA-N 2 1 353.419 1.035 20 5 FDBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@H]21 ZINC000577062404 550616558 /nfs/dbraw/zinc/61/65/58/550616558.db2.gz AQRNRLVYNQQFGY-BPLDGKMQSA-N 2 1 360.414 1.952 20 5 FDBDMP CC1CC[NH+](C[C@H](O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000582003371 551162029 /nfs/dbraw/zinc/16/20/29/551162029.db2.gz HFSCTIZEKFRGMV-OAHLLOKOSA-N 2 1 364.446 1.606 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000584463179 551500841 /nfs/dbraw/zinc/50/08/41/551500841.db2.gz VQHIZZVYDYXTIQ-LJQANCHMSA-N 2 1 373.457 1.449 20 5 FDBDMP CCO[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C[NH3+] ZINC000593736619 552187030 /nfs/dbraw/zinc/18/70/30/552187030.db2.gz CUALYRHIQZSEKJ-CZUORRHYSA-N 2 1 350.419 1.527 20 5 FDBDMP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595906315 552631833 /nfs/dbraw/zinc/63/18/33/552631833.db2.gz JKGVNVXVXLSMDO-QGZVFWFLSA-N 2 1 364.446 1.966 20 5 FDBDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595906315 552631835 /nfs/dbraw/zinc/63/18/35/552631835.db2.gz JKGVNVXVXLSMDO-QGZVFWFLSA-N 2 1 364.446 1.966 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000596364659 552675448 /nfs/dbraw/zinc/67/54/48/552675448.db2.gz QVEDZYOXESIUOG-LBPRGKRZSA-N 2 1 362.434 1.928 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000596364659 552675449 /nfs/dbraw/zinc/67/54/49/552675449.db2.gz QVEDZYOXESIUOG-LBPRGKRZSA-N 2 1 362.434 1.928 20 5 FDBDMP O=C([C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000262003750 672710263 /nfs/dbraw/zinc/71/02/63/672710263.db2.gz UJGQLWNDTCYNKJ-CQSZACIVSA-N 2 1 366.849 1.892 20 5 FDBDMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422983033 680769816 /nfs/dbraw/zinc/76/98/16/680769816.db2.gz SGHBYQSFDMPYIU-STQMWFEESA-N 2 1 356.448 1.123 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420360793 680436069 /nfs/dbraw/zinc/43/60/69/680436069.db2.gz HLSWIAMDBWQQRZ-NVGCLXPQSA-N 2 1 350.419 1.908 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420417886 680442773 /nfs/dbraw/zinc/44/27/73/680442773.db2.gz WOAJQAHFTPUADL-STQMWFEESA-N 2 1 350.419 1.849 20 5 FDBDMP C[C@@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000312747819 795929051 /nfs/dbraw/zinc/92/90/51/795929051.db2.gz YVCNMNPIKJPIAN-MOPGFXCFSA-N 2 1 373.457 1.654 20 5 FDBDMP Cn1ccnc1[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423194367 814997283 /nfs/dbraw/zinc/99/72/83/814997283.db2.gz XWWPUXUEYOKWLO-QGZVFWFLSA-N 2 1 358.446 1.303 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422561457 814828609 /nfs/dbraw/zinc/82/86/09/814828609.db2.gz LHNLMFJLSNQHLK-IPYPFGDCSA-N 2 1 365.430 1.952 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422561457 814828610 /nfs/dbraw/zinc/82/86/10/814828610.db2.gz LHNLMFJLSNQHLK-IPYPFGDCSA-N 2 1 365.430 1.952 20 5 FDBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000249492253 860921429 /nfs/dbraw/zinc/92/14/29/860921429.db2.gz VMMMGYNERUFZEJ-DOTOQJQBSA-N 2 1 366.462 1.483 20 5 FDBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825394262 947218234 /nfs/dbraw/zinc/21/82/34/947218234.db2.gz WXJKLIVGFNBMDJ-KRWDZBQOSA-N 2 1 371.397 1.414 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000853774523 968305915 /nfs/dbraw/zinc/30/59/15/968305915.db2.gz SPTASWQAZXATNK-LBPRGKRZSA-N 2 1 365.434 1.610 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000853774523 968305921 /nfs/dbraw/zinc/30/59/21/968305921.db2.gz SPTASWQAZXATNK-LBPRGKRZSA-N 2 1 365.434 1.610 20 5 FDBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000872255034 987546601 /nfs/dbraw/zinc/54/66/01/987546601.db2.gz OUWZGFKFYOYYNJ-FRCLQAKBSA-N 2 1 358.398 1.475 20 5 FDBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000872255034 987546603 /nfs/dbraw/zinc/54/66/03/987546603.db2.gz OUWZGFKFYOYYNJ-FRCLQAKBSA-N 2 1 358.398 1.475 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000360928088 988213043 /nfs/dbraw/zinc/21/30/43/988213043.db2.gz QVZZOQKPFPURRP-OPNNQBFTSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000360928088 988213057 /nfs/dbraw/zinc/21/30/57/988213057.db2.gz QVZZOQKPFPURRP-OPNNQBFTSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000360928088 988213068 /nfs/dbraw/zinc/21/30/68/988213068.db2.gz QVZZOQKPFPURRP-OPNNQBFTSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000360928088 988213080 /nfs/dbraw/zinc/21/30/80/988213080.db2.gz QVZZOQKPFPURRP-OPNNQBFTSA-N 2 1 361.442 1.751 20 5 FDBDMP COC(=O)c1cnc(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000365094506 990019280 /nfs/dbraw/zinc/01/92/80/990019280.db2.gz WNWDNVRRNCHNRH-CYBMUJFWSA-N 2 1 363.418 1.357 20 5 FDBDMP COCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CC[NH+](C)CC1 ZINC000879125899 994559384 /nfs/dbraw/zinc/55/93/84/994559384.db2.gz LMIHWYBUANIKTC-GOSISDBHSA-N 2 1 351.447 1.918 20 5 FDBDMP COc1ccc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000779654622 1010664344 /nfs/dbraw/zinc/66/43/44/1010664344.db2.gz PITPLKCHAAMUDM-OAHLLOKOSA-N 2 1 352.391 1.711 20 5 FDBDMP COc1ccc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000779654622 1010664348 /nfs/dbraw/zinc/66/43/48/1010664348.db2.gz PITPLKCHAAMUDM-OAHLLOKOSA-N 2 1 352.391 1.711 20 5 FDBDMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000139854414 173374953 /nfs/dbraw/zinc/37/49/53/173374953.db2.gz FPZOTLLJZUTEHP-WBVHZDCISA-N 2 1 358.442 1.900 20 5 FDBDMP CCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178004416 174168144 /nfs/dbraw/zinc/16/81/44/174168144.db2.gz NTXMNCCWUPFAPA-UHFFFAOYSA-N 2 1 370.475 1.337 20 5 FDBDMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075642741 522950857 /nfs/dbraw/zinc/95/08/57/522950857.db2.gz SXJDNVSWMSLZTK-QGZVFWFLSA-N 2 1 353.467 1.596 20 5 FDBDMP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000420324494 538265918 /nfs/dbraw/zinc/26/59/18/538265918.db2.gz ARMAEDIBZVUWBY-TXEJJXNPSA-N 2 1 362.386 1.193 20 5 FDBDMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000420324494 538265926 /nfs/dbraw/zinc/26/59/26/538265926.db2.gz ARMAEDIBZVUWBY-TXEJJXNPSA-N 2 1 362.386 1.193 20 5 FDBDMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420335445 538268095 /nfs/dbraw/zinc/26/80/95/538268095.db2.gz HMESOBCZJGMIDW-KRWDZBQOSA-N 2 1 358.442 1.948 20 5 FDBDMP COCC[NH2+]C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000581015239 551043334 /nfs/dbraw/zinc/04/33/34/551043334.db2.gz JDELDSMFOBKTPU-UHFFFAOYSA-N 2 1 364.446 1.932 20 5 FDBDMP COCC[NH2+]C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000584535131 551513614 /nfs/dbraw/zinc/51/36/14/551513614.db2.gz SVWGDSYREPLOPJ-UHFFFAOYSA-N 2 1 364.446 1.932 20 5 FDBDMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCO2 ZINC000592185230 551955199 /nfs/dbraw/zinc/95/51/99/551955199.db2.gz VRYRNDLXBANOEN-UHFFFAOYSA-N 2 1 362.430 1.720 20 5 FDBDMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489191 552001113 /nfs/dbraw/zinc/00/11/13/552001113.db2.gz SKXPKQPFPUPUGF-GXTWGEPZSA-N 2 1 350.419 1.991 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420410128 680441424 /nfs/dbraw/zinc/44/14/24/680441424.db2.gz RBAJVOBBUJHTJN-QWHCGFSZSA-N 2 1 350.419 1.849 20 5 FDBDMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000474346101 685393179 /nfs/dbraw/zinc/39/31/79/685393179.db2.gz BJHZRWZXXNKAHK-CQSZACIVSA-N 2 1 351.403 1.578 20 5 FDBDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000474346101 685393188 /nfs/dbraw/zinc/39/31/88/685393188.db2.gz BJHZRWZXXNKAHK-CQSZACIVSA-N 2 1 351.403 1.578 20 5 FDBDMP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430952544 681101526 /nfs/dbraw/zinc/10/15/26/681101526.db2.gz QBVMFRVWKNWKCX-NWDGAFQWSA-N 2 1 350.419 1.990 20 5 FDBDMP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000443058051 682224345 /nfs/dbraw/zinc/22/43/45/682224345.db2.gz IYURYCGQCNSLDM-NSHDSACASA-N 2 1 350.375 1.323 20 5 FDBDMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000443058051 682224350 /nfs/dbraw/zinc/22/43/50/682224350.db2.gz IYURYCGQCNSLDM-NSHDSACASA-N 2 1 350.375 1.323 20 5 FDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC[NH+]2CCC(O)CC2)n1 ZINC000472604686 685227372 /nfs/dbraw/zinc/22/73/72/685227372.db2.gz BORRFHZCNRMKIW-JKSUJKDBSA-N 2 1 351.451 1.711 20 5 FDBDMP O=C([C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1 ZINC000430610011 777043528 /nfs/dbraw/zinc/04/35/28/777043528.db2.gz JIVKXGOAKGVDTG-OAHLLOKOSA-N 2 1 362.430 1.117 20 5 FDBDMP C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376166575 786582687 /nfs/dbraw/zinc/58/26/87/786582687.db2.gz MRFDMMFWMQQBPU-UHFFFAOYSA-N 2 1 371.441 2.000 20 5 FDBDMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000452384532 830630995 /nfs/dbraw/zinc/63/09/95/830630995.db2.gz GHOZGJRVNZVGKP-OAHLLOKOSA-N 2 1 373.413 1.357 20 5 FDBDMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591608 932748563 /nfs/dbraw/zinc/74/85/63/932748563.db2.gz INAWUKGZXXTBHO-ZDUSSCGKSA-N 2 1 363.462 1.770 20 5 FDBDMP C[NH+](C)CCN1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172920969 961828539 /nfs/dbraw/zinc/82/85/39/961828539.db2.gz MVFMUUBTVCGNQF-SFHVURJKSA-N 2 1 374.485 1.938 20 5 FDBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2c[nH+]cc2C[C@@H]([NH3+])CO)c1F ZINC001173190623 961958539 /nfs/dbraw/zinc/95/85/39/961958539.db2.gz ZZQSNYRCGHAGSD-GHMZBOCLSA-N 2 1 352.366 1.605 20 5 FDBDMP C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000776595813 967349963 /nfs/dbraw/zinc/34/99/63/967349963.db2.gz AYPLAEDWRGWKCM-LZQZEXGQSA-N 2 1 362.474 1.586 20 5 FDBDMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000776595813 967349969 /nfs/dbraw/zinc/34/99/69/967349969.db2.gz AYPLAEDWRGWKCM-LZQZEXGQSA-N 2 1 362.474 1.586 20 5 FDBDMP C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362704925 988710468 /nfs/dbraw/zinc/71/04/68/988710468.db2.gz VUFWKVKQDCPQSQ-SJORKVTESA-N 2 1 362.474 1.931 20 5 FDBDMP C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362704925 988710478 /nfs/dbraw/zinc/71/04/78/988710478.db2.gz VUFWKVKQDCPQSQ-SJORKVTESA-N 2 1 362.474 1.931 20 5 FDBDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000879578031 995035373 /nfs/dbraw/zinc/03/53/73/995035373.db2.gz POTUDCDSJWDCRW-UKRRQHHQSA-N 2 1 360.414 1.919 20 5 FDBDMP C[N@H+]1CC[C@@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000879578031 995035384 /nfs/dbraw/zinc/03/53/84/995035384.db2.gz POTUDCDSJWDCRW-UKRRQHHQSA-N 2 1 360.414 1.919 20 5 FDBDMP C[NH+]1CC[C@@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000879578031 995035406 /nfs/dbraw/zinc/03/54/06/995035406.db2.gz POTUDCDSJWDCRW-UKRRQHHQSA-N 2 1 360.414 1.919 20 5 FDBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000879578031 995035417 /nfs/dbraw/zinc/03/54/17/995035417.db2.gz POTUDCDSJWDCRW-UKRRQHHQSA-N 2 1 360.414 1.919 20 5 FDBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000289324177 1000090637 /nfs/dbraw/zinc/09/06/37/1000090637.db2.gz GAUWOVAAQBLGHS-UHFFFAOYSA-N 2 1 370.457 1.811 20 5 FDBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000289324177 1000090638 /nfs/dbraw/zinc/09/06/38/1000090638.db2.gz GAUWOVAAQBLGHS-UHFFFAOYSA-N 2 1 370.457 1.811 20 5 FDBDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000367172459 260005122 /nfs/dbraw/zinc/00/51/22/260005122.db2.gz XURQDZOTWFLZLF-QGZVFWFLSA-N 2 1 362.474 1.933 20 5 FDBDMP O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166365627 525580909 /nfs/dbraw/zinc/58/09/09/525580909.db2.gz VLFVTTFXGHEFRP-UONOGXRCSA-N 2 1 368.459 1.090 20 5 FDBDMP O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166365627 525580914 /nfs/dbraw/zinc/58/09/14/525580914.db2.gz VLFVTTFXGHEFRP-UONOGXRCSA-N 2 1 368.459 1.090 20 5 FDBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183634252 536019347 /nfs/dbraw/zinc/01/93/47/536019347.db2.gz SBVSUSKPFOSEOI-AWEZNQCLSA-N 2 1 364.450 1.870 20 5 FDBDMP C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185667741 536214830 /nfs/dbraw/zinc/21/48/30/536214830.db2.gz SEUIRGWEZROVSO-ZQIUZPCESA-N 2 1 351.451 1.395 20 5 FDBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(F)c1 ZINC000414967475 537945217 /nfs/dbraw/zinc/94/52/17/537945217.db2.gz FHFBOTRVTYHPFE-ZDUSSCGKSA-N 2 1 350.316 1.660 20 5 FDBDMP COc1ccc(NC(=O)CC[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC000420353871 538275982 /nfs/dbraw/zinc/27/59/82/538275982.db2.gz AUWZDLKTSOUMDG-PSTGCABASA-N 2 1 350.419 1.908 20 5 FDBDMP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000472626796 538674430 /nfs/dbraw/zinc/67/44/30/538674430.db2.gz CTXCBXIKWOCWTR-LSDHHAIUSA-N 2 1 351.451 1.975 20 5 FDBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562986805 546341825 /nfs/dbraw/zinc/34/18/25/546341825.db2.gz CEKMUQPIZKHDNO-CYBMUJFWSA-N 2 1 366.443 1.799 20 5 FDBDMP CCO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C[NH3+] ZINC000593736531 552187131 /nfs/dbraw/zinc/18/71/31/552187131.db2.gz AAOAVBYJRUZADO-MLGOLLRUSA-N 2 1 366.418 1.228 20 5 FDBDMP O=C(CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000596064820 552651635 /nfs/dbraw/zinc/65/16/35/552651635.db2.gz AFKYPVQAICFPGI-OAHLLOKOSA-N 2 1 362.430 1.766 20 5 FDBDMP COc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000261998031 672708874 /nfs/dbraw/zinc/70/88/74/672708874.db2.gz KYSKEBMKWZXGME-CQSZACIVSA-N 2 1 350.419 1.423 20 5 FDBDMP COc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000261998031 672708876 /nfs/dbraw/zinc/70/88/76/672708876.db2.gz KYSKEBMKWZXGME-CQSZACIVSA-N 2 1 350.419 1.423 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420417882 680442767 /nfs/dbraw/zinc/44/27/67/680442767.db2.gz WOAJQAHFTPUADL-OLZOCXBDSA-N 2 1 350.419 1.849 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430964409 681101983 /nfs/dbraw/zinc/10/19/83/681101983.db2.gz DZFLFHRZEMERQL-RYUDHWBXSA-N 2 1 350.419 1.990 20 5 FDBDMP COc1cnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001164682246 719618795 /nfs/dbraw/zinc/61/87/95/719618795.db2.gz MCZMBMXAJVBKFA-UHFFFAOYSA-N 2 1 360.418 1.670 20 5 FDBDMP COc1cnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001164682246 719618804 /nfs/dbraw/zinc/61/88/04/719618804.db2.gz MCZMBMXAJVBKFA-UHFFFAOYSA-N 2 1 360.418 1.670 20 5 FDBDMP O=C(NC[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000261947238 774581838 /nfs/dbraw/zinc/58/18/38/774581838.db2.gz YLFZRTXPQAULBF-CZUORRHYSA-N 2 1 364.421 1.814 20 5 FDBDMP O=C(NC[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000261947238 774581845 /nfs/dbraw/zinc/58/18/45/774581845.db2.gz YLFZRTXPQAULBF-CZUORRHYSA-N 2 1 364.421 1.814 20 5 FDBDMP O=[N+]([O-])c1c(N2CC[NH+]3CCC[C@@H]3C2)ccnc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000376225581 786874273 /nfs/dbraw/zinc/87/42/73/786874273.db2.gz DPUAWJQHJAVVRX-CVEARBPZSA-N 2 1 372.473 1.559 20 5 FDBDMP O=[N+]([O-])c1c(N2CC[N@@H+]3CCC[C@@H]3C2)ccnc1N1CC[NH+]2CCC[C@H]2C1 ZINC000376225581 786874279 /nfs/dbraw/zinc/87/42/79/786874279.db2.gz DPUAWJQHJAVVRX-CVEARBPZSA-N 2 1 372.473 1.559 20 5 FDBDMP O=[N+]([O-])c1c(N2CC[N@H+]3CCC[C@@H]3C2)ccnc1N1CC[NH+]2CCC[C@H]2C1 ZINC000376225581 786874290 /nfs/dbraw/zinc/87/42/90/786874290.db2.gz DPUAWJQHJAVVRX-CVEARBPZSA-N 2 1 372.473 1.559 20 5 FDBDMP COc1c(O)ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000892937611 791783286 /nfs/dbraw/zinc/78/32/86/791783286.db2.gz FDLGNLRWOAMFFT-UHFFFAOYSA-N 2 1 366.462 1.672 20 5 FDBDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451543189 830391490 /nfs/dbraw/zinc/39/14/90/830391490.db2.gz BGDVHFQKMTWNRE-KRWDZBQOSA-N 2 1 360.458 1.938 20 5 FDBDMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451543189 830391495 /nfs/dbraw/zinc/39/14/95/830391495.db2.gz BGDVHFQKMTWNRE-KRWDZBQOSA-N 2 1 360.458 1.938 20 5 FDBDMP C[NH+](C)CCOC1CC[NH+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000738208038 925136213 /nfs/dbraw/zinc/13/62/13/925136213.db2.gz IVDQVLLHHVIGSN-UHFFFAOYSA-N 2 1 374.445 1.853 20 5 FDBDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819043349 943392653 /nfs/dbraw/zinc/39/26/53/943392653.db2.gz SJRSIVAIVJOQPO-QGZVFWFLSA-N 2 1 364.446 1.161 20 5 FDBDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369825750 989217961 /nfs/dbraw/zinc/21/79/61/989217961.db2.gz KJFPZZHLEOSWNV-SOLBZPMBSA-N 2 1 365.478 1.739 20 5 FDBDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369825750 989217973 /nfs/dbraw/zinc/21/79/73/989217973.db2.gz KJFPZZHLEOSWNV-SOLBZPMBSA-N 2 1 365.478 1.739 20 5 FDBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369825750 989217987 /nfs/dbraw/zinc/21/79/87/989217987.db2.gz KJFPZZHLEOSWNV-SOLBZPMBSA-N 2 1 365.478 1.739 20 5 FDBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369825750 989217999 /nfs/dbraw/zinc/21/79/99/989217999.db2.gz KJFPZZHLEOSWNV-SOLBZPMBSA-N 2 1 365.478 1.739 20 5 FDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000877059124 993034462 /nfs/dbraw/zinc/03/44/62/993034462.db2.gz QXZZCMZNXNLVPO-TVPLGVNVSA-N 2 1 371.441 1.721 20 5 FDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000877059124 993034468 /nfs/dbraw/zinc/03/44/68/993034468.db2.gz QXZZCMZNXNLVPO-TVPLGVNVSA-N 2 1 371.441 1.721 20 5 FDBDMP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000933739721 1005625978 /nfs/dbraw/zinc/62/59/78/1005625978.db2.gz HJYLXMCASNPNSS-SCLBCKFNSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000933739721 1005625981 /nfs/dbraw/zinc/62/59/81/1005625981.db2.gz HJYLXMCASNPNSS-SCLBCKFNSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000933739721 1005625984 /nfs/dbraw/zinc/62/59/84/1005625984.db2.gz HJYLXMCASNPNSS-SCLBCKFNSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000933739721 1005625986 /nfs/dbraw/zinc/62/59/86/1005625986.db2.gz HJYLXMCASNPNSS-SCLBCKFNSA-N 2 1 362.430 1.816 20 5 FDBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000534135541 540328433 /nfs/dbraw/zinc/32/84/33/540328433.db2.gz JWUWEXHFPISJQK-INIZCTEOSA-N 2 1 352.435 1.189 20 5 FDBDMP C[C@@H]1C[C@H](NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000119834912 525881023 /nfs/dbraw/zinc/88/10/23/525881023.db2.gz FCJJMUVMWFNHFJ-OLZOCXBDSA-N 2 1 368.459 1.088 20 5 FDBDMP C[C@@H]1C[C@H](NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000119834912 525881033 /nfs/dbraw/zinc/88/10/33/525881033.db2.gz FCJJMUVMWFNHFJ-OLZOCXBDSA-N 2 1 368.459 1.088 20 5 FDBDMP C[NH+]1CCN([C@H]2CCCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000182903333 535886064 /nfs/dbraw/zinc/88/60/64/535886064.db2.gz JQISUZIPZWCDDT-OALUTQOASA-N 2 1 362.474 1.730 20 5 FDBDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000182903333 535886066 /nfs/dbraw/zinc/88/60/66/535886066.db2.gz JQISUZIPZWCDDT-OALUTQOASA-N 2 1 362.474 1.730 20 5 FDBDMP C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185667703 536214971 /nfs/dbraw/zinc/21/49/71/536214971.db2.gz SEUIRGWEZROVSO-VBQJREDUSA-N 2 1 351.451 1.395 20 5 FDBDMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247094791 537080855 /nfs/dbraw/zinc/08/08/55/537080855.db2.gz RVOFKDNSFXZBFW-BBRMVZONSA-N 2 1 370.475 1.193 20 5 FDBDMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245420985 537657312 /nfs/dbraw/zinc/65/73/12/537657312.db2.gz HSMKFRUONMAIGQ-NVXWUHKLSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245420985 537657313 /nfs/dbraw/zinc/65/73/13/537657313.db2.gz HSMKFRUONMAIGQ-NVXWUHKLSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245420985 537657314 /nfs/dbraw/zinc/65/73/14/537657314.db2.gz HSMKFRUONMAIGQ-NVXWUHKLSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245420985 537657315 /nfs/dbraw/zinc/65/73/15/537657315.db2.gz HSMKFRUONMAIGQ-NVXWUHKLSA-N 2 1 351.447 1.998 20 5 FDBDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000568985175 548756808 /nfs/dbraw/zinc/75/68/08/548756808.db2.gz HDYNMYUUDUOCMA-SQNIBIBYSA-N 2 1 374.441 1.528 20 5 FDBDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000575116521 550428369 /nfs/dbraw/zinc/42/83/69/550428369.db2.gz CPXRKUJDVHFRHO-HZPDHXFCSA-N 2 1 351.447 1.902 20 5 FDBDMP NC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c([N+](=O)[O-])c1 ZINC000593736086 552187025 /nfs/dbraw/zinc/18/70/25/552187025.db2.gz FPLJZYJCHICZCI-ZMSDIMECSA-N 2 1 362.430 1.412 20 5 FDBDMP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595906314 552631687 /nfs/dbraw/zinc/63/16/87/552631687.db2.gz JKGVNVXVXLSMDO-KRWDZBQOSA-N 2 1 364.446 1.966 20 5 FDBDMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595906314 552631688 /nfs/dbraw/zinc/63/16/88/552631688.db2.gz JKGVNVXVXLSMDO-KRWDZBQOSA-N 2 1 364.446 1.966 20 5 FDBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602810765 553642318 /nfs/dbraw/zinc/64/23/18/553642318.db2.gz IUTXHWHTTVEXPN-HOCLYGCPSA-N 2 1 353.467 1.826 20 5 FDBDMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000261986803 672707442 /nfs/dbraw/zinc/70/74/42/672707442.db2.gz KHKHNYSFCUBFLJ-UHFFFAOYSA-N 2 1 350.419 1.863 20 5 FDBDMP Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684631 719629651 /nfs/dbraw/zinc/62/96/51/719629651.db2.gz VPBITXRIPCUASU-UHFFFAOYSA-N 2 1 360.418 1.208 20 5 FDBDMP Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684631 719629657 /nfs/dbraw/zinc/62/96/57/719629657.db2.gz VPBITXRIPCUASU-UHFFFAOYSA-N 2 1 360.418 1.208 20 5 FDBDMP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)N1CC[NH2+]CC1 ZINC000430613915 777117886 /nfs/dbraw/zinc/11/78/86/777117886.db2.gz XOIKXEDRVMPVPQ-UHFFFAOYSA-N 2 1 373.413 1.156 20 5 FDBDMP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)N1CC[NH2+]CC1 ZINC000430613915 777117889 /nfs/dbraw/zinc/11/78/89/777117889.db2.gz XOIKXEDRVMPVPQ-UHFFFAOYSA-N 2 1 373.413 1.156 20 5 FDBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000516624199 785220628 /nfs/dbraw/zinc/22/06/28/785220628.db2.gz IWAQBKOWUOSCRW-UHFFFAOYSA-N 2 1 371.397 1.759 20 5 FDBDMP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511829479 800398679 /nfs/dbraw/zinc/39/86/79/800398679.db2.gz JHLRPUAVJUBMLQ-UHFFFAOYSA-N 2 1 372.473 1.541 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350744 813623916 /nfs/dbraw/zinc/62/39/16/813623916.db2.gz USBYLGUSFTXIFC-INIZCTEOSA-N 2 1 361.446 1.211 20 5 FDBDMP CN(CCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000289157277 1000078469 /nfs/dbraw/zinc/07/84/69/1000078469.db2.gz DJWUXMYSEUZUCZ-UHFFFAOYSA-N 2 1 365.478 1.739 20 5 FDBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190784283 178022467 /nfs/dbraw/zinc/02/24/67/178022467.db2.gz PARYFWXMAXGWBG-HNNXBMFYSA-N 2 1 363.462 1.665 20 5 FDBDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000075677068 172094868 /nfs/dbraw/zinc/09/48/68/172094868.db2.gz MNHKCOTZJSUDPR-WMZOPIPTSA-N 2 1 365.478 1.596 20 5 FDBDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000075677068 172094870 /nfs/dbraw/zinc/09/48/70/172094870.db2.gz MNHKCOTZJSUDPR-WMZOPIPTSA-N 2 1 365.478 1.596 20 5 FDBDMP CN(CC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000126415432 173040904 /nfs/dbraw/zinc/04/09/04/173040904.db2.gz MKTQVDYVPXMSMI-UHFFFAOYSA-N 2 1 350.463 1.931 20 5 FDBDMP C[N@H+]1CCC[C@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000139854260 173374798 /nfs/dbraw/zinc/37/47/98/173374798.db2.gz FPZOTLLJZUTEHP-RDJZCZTQSA-N 2 1 358.442 1.900 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](Oc2ccncc2)C1 ZINC000365677042 537570844 /nfs/dbraw/zinc/57/08/44/537570844.db2.gz LAPOAQHZRMFMOB-GDBMZVCRSA-N 2 1 359.382 1.883 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415138784 537958818 /nfs/dbraw/zinc/95/88/18/537958818.db2.gz KODYKCOIAGATFK-ROUUACIJSA-N 2 1 373.457 1.623 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415138784 537958824 /nfs/dbraw/zinc/95/88/24/537958824.db2.gz KODYKCOIAGATFK-ROUUACIJSA-N 2 1 373.457 1.623 20 5 FDBDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111917 548801620 /nfs/dbraw/zinc/80/16/20/548801620.db2.gz DUGMGFXMYFVWLL-RDJZCZTQSA-N 2 1 367.446 1.425 20 5 FDBDMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489194 552000910 /nfs/dbraw/zinc/00/09/10/552000910.db2.gz SKXPKQPFPUPUGF-OCCSQVGLSA-N 2 1 350.419 1.991 20 5 FDBDMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595864676 552625485 /nfs/dbraw/zinc/62/54/85/552625485.db2.gz VKRGVTFFVFYVKF-HNNXBMFYSA-N 2 1 362.430 1.454 20 5 FDBDMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595864676 552625486 /nfs/dbraw/zinc/62/54/86/552625486.db2.gz VKRGVTFFVFYVKF-HNNXBMFYSA-N 2 1 362.430 1.454 20 5 FDBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000505773796 688528440 /nfs/dbraw/zinc/52/84/40/688528440.db2.gz RQSXMWRMYLCXDN-CQSZACIVSA-N 2 1 351.451 1.421 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000261947240 774581551 /nfs/dbraw/zinc/58/15/51/774581551.db2.gz YLFZRTXPQAULBF-XJKSGUPXSA-N 2 1 364.421 1.814 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000261947240 774581553 /nfs/dbraw/zinc/58/15/53/774581553.db2.gz YLFZRTXPQAULBF-XJKSGUPXSA-N 2 1 364.421 1.814 20 5 FDBDMP C[C@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000312747822 795929608 /nfs/dbraw/zinc/92/96/08/795929608.db2.gz YVCNMNPIKJPIAN-RTBURBONSA-N 2 1 373.457 1.654 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000459726261 838924155 /nfs/dbraw/zinc/92/41/55/838924155.db2.gz BMBUHGSNLHRRID-AWEZNQCLSA-N 2 1 365.430 1.968 20 5 FDBDMP C[C@H](C[NH3+])C[N@@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698139 962587690 /nfs/dbraw/zinc/58/76/90/962587690.db2.gz VGCTXCQNHQOKSD-CYBMUJFWSA-N 2 1 370.475 1.275 20 5 FDBDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000853798484 968327742 /nfs/dbraw/zinc/32/77/42/968327742.db2.gz HROFVTBPPDTEDO-UHFFFAOYSA-N 2 1 365.434 1.847 20 5 FDBDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000853798484 968327752 /nfs/dbraw/zinc/32/77/52/968327752.db2.gz HROFVTBPPDTEDO-UHFFFAOYSA-N 2 1 365.434 1.847 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000360928090 988214066 /nfs/dbraw/zinc/21/40/66/988214066.db2.gz QVZZOQKPFPURRP-YCEFEEMOSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000360928090 988214079 /nfs/dbraw/zinc/21/40/79/988214079.db2.gz QVZZOQKPFPURRP-YCEFEEMOSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000360928090 988214100 /nfs/dbraw/zinc/21/41/00/988214100.db2.gz QVZZOQKPFPURRP-YCEFEEMOSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000360928090 988214118 /nfs/dbraw/zinc/21/41/18/988214118.db2.gz QVZZOQKPFPURRP-YCEFEEMOSA-N 2 1 361.442 1.751 20 5 FDBDMP CN(CCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000289395621 1000095985 /nfs/dbraw/zinc/09/59/85/1000095985.db2.gz KNRQERBHLQZMLY-QGZVFWFLSA-N 2 1 368.478 1.150 20 5 FDBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274849591 181176650 /nfs/dbraw/zinc/17/66/50/181176650.db2.gz QSRVJDSJLCPHKH-AYOQOUSVSA-N 2 1 373.457 1.652 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000075713722 172095067 /nfs/dbraw/zinc/09/50/67/172095067.db2.gz KTMUVJZUBFWCQR-AEFFLSMTSA-N 2 1 365.478 1.740 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000075713722 172095070 /nfs/dbraw/zinc/09/50/70/172095070.db2.gz KTMUVJZUBFWCQR-AEFFLSMTSA-N 2 1 365.478 1.740 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278922387 258520499 /nfs/dbraw/zinc/52/04/99/258520499.db2.gz RSZHAFKUSFUJSS-KRWDZBQOSA-N 2 1 374.445 1.565 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000474344852 538834676 /nfs/dbraw/zinc/83/46/76/538834676.db2.gz MDJSBRMHBHMFQA-LSDHHAIUSA-N 2 1 363.414 1.863 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000474344852 538834680 /nfs/dbraw/zinc/83/46/80/538834680.db2.gz MDJSBRMHBHMFQA-LSDHHAIUSA-N 2 1 363.414 1.863 20 5 FDBDMP C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000571756620 549751997 /nfs/dbraw/zinc/75/19/97/549751997.db2.gz XZGFLAPEEBVLNZ-ZDUSSCGKSA-N 2 1 353.444 1.609 20 5 FDBDMP C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000571756620 549752000 /nfs/dbraw/zinc/75/20/00/549752000.db2.gz XZGFLAPEEBVLNZ-ZDUSSCGKSA-N 2 1 353.444 1.609 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000574324455 550296054 /nfs/dbraw/zinc/29/60/54/550296054.db2.gz ZRGLJHGIAYXSJL-AEGPPILISA-N 2 1 362.430 1.991 20 5 FDBDMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000579126516 550838929 /nfs/dbraw/zinc/83/89/29/550838929.db2.gz MVEJAVMEOANHRZ-SZMVWBNQSA-N 2 1 371.441 1.407 20 5 FDBDMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000579126516 550838931 /nfs/dbraw/zinc/83/89/31/550838931.db2.gz MVEJAVMEOANHRZ-SZMVWBNQSA-N 2 1 371.441 1.407 20 5 FDBDMP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592182173 551954802 /nfs/dbraw/zinc/95/48/02/551954802.db2.gz LDDGAPFWEPZJNW-MRXNPFEDSA-N 2 1 365.430 1.131 20 5 FDBDMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592182173 551954804 /nfs/dbraw/zinc/95/48/04/551954804.db2.gz LDDGAPFWEPZJNW-MRXNPFEDSA-N 2 1 365.430 1.131 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430567459 681082413 /nfs/dbraw/zinc/08/24/13/681082413.db2.gz DNCGPDGTNLZBHA-OLZOCXBDSA-N 2 1 350.419 1.991 20 5 FDBDMP CCOc1ccc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430957627 681101743 /nfs/dbraw/zinc/10/17/43/681101743.db2.gz TWOOPQMSDYJEMA-LBPRGKRZSA-N 2 1 350.419 1.991 20 5 FDBDMP O=C(NC[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261910591 774550983 /nfs/dbraw/zinc/55/09/83/774550983.db2.gz SZCLEUHZTMZRAL-SJLPKXTDSA-N 2 1 360.458 1.718 20 5 FDBDMP O=C(NC[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000261947236 774581748 /nfs/dbraw/zinc/58/17/48/774581748.db2.gz YLFZRTXPQAULBF-CJNGLKHVSA-N 2 1 364.421 1.814 20 5 FDBDMP O=C(NC[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000261947236 774581752 /nfs/dbraw/zinc/58/17/52/774581752.db2.gz YLFZRTXPQAULBF-CJNGLKHVSA-N 2 1 364.421 1.814 20 5 FDBDMP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000420326640 813616832 /nfs/dbraw/zinc/61/68/32/813616832.db2.gz COENADZRCNUBSF-MELADBBJSA-N 2 1 362.430 1.862 20 5 FDBDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCn3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000856586540 971237155 /nfs/dbraw/zinc/23/71/55/971237155.db2.gz SIAYKSPOBMKBKE-SFHVURJKSA-N 2 1 374.445 1.791 20 5 FDBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000856586540 971237162 /nfs/dbraw/zinc/23/71/62/971237162.db2.gz SIAYKSPOBMKBKE-SFHVURJKSA-N 2 1 374.445 1.791 20 5 FDBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000856586540 971237167 /nfs/dbraw/zinc/23/71/67/971237167.db2.gz SIAYKSPOBMKBKE-SFHVURJKSA-N 2 1 374.445 1.791 20 5 FDBDMP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000776595811 967348435 /nfs/dbraw/zinc/34/84/35/967348435.db2.gz AYPLAEDWRGWKCM-ATZDWAIDSA-N 2 1 362.474 1.586 20 5 FDBDMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000776595811 967348445 /nfs/dbraw/zinc/34/84/45/967348445.db2.gz AYPLAEDWRGWKCM-ATZDWAIDSA-N 2 1 362.474 1.586 20 5 FDBDMP Cc1cc(N2CCC([N@H+](C)CCn3cc([N+](=O)[O-])cn3)CC2)nc(C)[nH+]1 ZINC000365789060 988087038 /nfs/dbraw/zinc/08/70/38/988087038.db2.gz VVILFUKSKQTJQA-UHFFFAOYSA-N 2 1 359.434 1.799 20 5 FDBDMP Cc1cc(N2CCC([N@@H+](C)CCn3cc([N+](=O)[O-])cn3)CC2)nc(C)[nH+]1 ZINC000365789060 988087053 /nfs/dbraw/zinc/08/70/53/988087053.db2.gz VVILFUKSKQTJQA-UHFFFAOYSA-N 2 1 359.434 1.799 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000289782151 1000118820 /nfs/dbraw/zinc/11/88/20/1000118820.db2.gz LFUSUBLUMZOYNF-UHFFFAOYSA-N 2 1 360.458 1.889 20 5 FDBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000101518584 172333090 /nfs/dbraw/zinc/33/30/90/172333090.db2.gz PEYKXWGCVDVPJM-OAHLLOKOSA-N 2 1 363.462 1.665 20 5 FDBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000101518585 172333580 /nfs/dbraw/zinc/33/35/80/172333580.db2.gz PEYKXWGCVDVPJM-HNNXBMFYSA-N 2 1 363.462 1.665 20 5 FDBDMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181929113 525984529 /nfs/dbraw/zinc/98/45/29/525984529.db2.gz DCMZEPUSDKAEIZ-HOTGVXAUSA-N 2 1 351.447 1.998 20 5 FDBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181929113 525984535 /nfs/dbraw/zinc/98/45/35/525984535.db2.gz DCMZEPUSDKAEIZ-HOTGVXAUSA-N 2 1 351.447 1.998 20 5 FDBDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267007601 536948492 /nfs/dbraw/zinc/94/84/92/536948492.db2.gz KSROVHQIXXYNOW-UHFFFAOYSA-N 2 1 352.410 1.624 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246590968 536987191 /nfs/dbraw/zinc/98/71/91/536987191.db2.gz MLJXGPDLJQJDBE-HIFRSBDPSA-N 2 1 368.459 1.090 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246590968 536987196 /nfs/dbraw/zinc/98/71/96/536987196.db2.gz MLJXGPDLJQJDBE-HIFRSBDPSA-N 2 1 368.459 1.090 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000567678912 548208299 /nfs/dbraw/zinc/20/82/99/548208299.db2.gz DWKRAYWLPWOICD-IEBWSBKVSA-N 2 1 373.457 1.306 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000571802023 549768960 /nfs/dbraw/zinc/76/89/60/549768960.db2.gz JTURPDHAUBTZJQ-QEJZJMRPSA-N 2 1 362.430 1.991 20 5 FDBDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000575116522 550428474 /nfs/dbraw/zinc/42/84/74/550428474.db2.gz CPXRKUJDVHFRHO-JKSUJKDBSA-N 2 1 351.447 1.902 20 5 FDBDMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCN2C1=O ZINC000575935562 550492710 /nfs/dbraw/zinc/49/27/10/550492710.db2.gz YUSLBEOZHONXST-GDBMZVCRSA-N 2 1 356.382 1.599 20 5 FDBDMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCN2C1=O ZINC000575935562 550492712 /nfs/dbraw/zinc/49/27/12/550492712.db2.gz YUSLBEOZHONXST-GDBMZVCRSA-N 2 1 356.382 1.599 20 5 FDBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000577062406 550616322 /nfs/dbraw/zinc/61/63/22/550616322.db2.gz AQRNRLVYNQQFGY-VHDGCEQUSA-N 2 1 360.414 1.952 20 5 FDBDMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000578956653 550818572 /nfs/dbraw/zinc/81/85/72/550818572.db2.gz OYVIHZOWENKKLF-IBGZPJMESA-N 2 1 373.457 1.715 20 5 FDBDMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000579126430 550838924 /nfs/dbraw/zinc/83/89/24/550838924.db2.gz MVEJAVMEOANHRZ-NJAFHUGGSA-N 2 1 371.441 1.407 20 5 FDBDMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000579126430 550838926 /nfs/dbraw/zinc/83/89/26/550838926.db2.gz MVEJAVMEOANHRZ-NJAFHUGGSA-N 2 1 371.441 1.407 20 5 FDBDMP COc1ccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000583143661 551309674 /nfs/dbraw/zinc/30/96/74/551309674.db2.gz SLQJXJCVHCANGM-AWEZNQCLSA-N 2 1 362.430 1.863 20 5 FDBDMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592182172 551954776 /nfs/dbraw/zinc/95/47/76/551954776.db2.gz LDDGAPFWEPZJNW-INIZCTEOSA-N 2 1 365.430 1.131 20 5 FDBDMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592182172 551954777 /nfs/dbraw/zinc/95/47/77/551954777.db2.gz LDDGAPFWEPZJNW-INIZCTEOSA-N 2 1 365.430 1.131 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420410126 680441522 /nfs/dbraw/zinc/44/15/22/680441522.db2.gz RBAJVOBBUJHTJN-CHWSQXEVSA-N 2 1 350.419 1.849 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430567461 681082421 /nfs/dbraw/zinc/08/24/21/681082421.db2.gz DNCGPDGTNLZBHA-QWHCGFSZSA-N 2 1 350.419 1.991 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261910590 774550828 /nfs/dbraw/zinc/55/08/28/774550828.db2.gz SZCLEUHZTMZRAL-FUHWJXTLSA-N 2 1 360.458 1.718 20 5 FDBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420337897 813609318 /nfs/dbraw/zinc/60/93/18/813609318.db2.gz XIQRAZXLRJHFOA-JLZZUVOBSA-N 2 1 362.430 1.750 20 5 FDBDMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420339425 813610538 /nfs/dbraw/zinc/61/05/38/813610538.db2.gz YVPIIRVLKNJLJL-CVEARBPZSA-N 2 1 358.442 1.805 20 5 FDBDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819042729 943391942 /nfs/dbraw/zinc/39/19/42/943391942.db2.gz LGNHWURYYBZGJD-KRWDZBQOSA-N 2 1 364.446 1.161 20 5 FDBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN2CCC[N@@H+](C)CC2)c1F ZINC001173187672 961956662 /nfs/dbraw/zinc/95/66/62/961956662.db2.gz FFZMVWUWKZZIOH-AWEZNQCLSA-N 2 1 368.453 1.901 20 5 FDBDMP CC(C)OCC[NH+]1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877080553 993039984 /nfs/dbraw/zinc/03/99/84/993039984.db2.gz DBVXYXJSIHMOCE-UHFFFAOYSA-N 2 1 351.451 1.974 20 5 FDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000877191048 993095372 /nfs/dbraw/zinc/09/53/72/993095372.db2.gz FNIKAKYYSBKAHS-FAFZWHIHSA-N 2 1 371.441 1.851 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574548 995027474 /nfs/dbraw/zinc/02/74/74/995027474.db2.gz BGZZKSKIXAITPS-XJKSGUPXSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574548 995027483 /nfs/dbraw/zinc/02/74/83/995027483.db2.gz BGZZKSKIXAITPS-XJKSGUPXSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574548 995027495 /nfs/dbraw/zinc/02/74/95/995027495.db2.gz BGZZKSKIXAITPS-XJKSGUPXSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574548 995027503 /nfs/dbraw/zinc/02/75/03/995027503.db2.gz BGZZKSKIXAITPS-XJKSGUPXSA-N 2 1 362.430 1.958 20 5 FDBDMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000331717472 259215405 /nfs/dbraw/zinc/21/54/05/259215405.db2.gz HDTXIYZXSMIXPL-CVEARBPZSA-N 2 1 364.494 1.891 20 5 FDBDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000378438388 262025441 /nfs/dbraw/zinc/02/54/41/262025441.db2.gz VZNJCOLRLZJGDX-KRWDZBQOSA-N 2 1 362.474 1.933 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166365124 525581063 /nfs/dbraw/zinc/58/10/63/525581063.db2.gz MLJXGPDLJQJDBE-DZGCQCFKSA-N 2 1 368.459 1.090 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166365124 525581068 /nfs/dbraw/zinc/58/10/68/525581068.db2.gz MLJXGPDLJQJDBE-DZGCQCFKSA-N 2 1 368.459 1.090 20 5 FDBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000583997606 551432171 /nfs/dbraw/zinc/43/21/71/551432171.db2.gz MSPHJBOKPOHVDD-KRWDZBQOSA-N 2 1 371.441 1.772 20 5 FDBDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595904620 552631396 /nfs/dbraw/zinc/63/13/96/552631396.db2.gz IWEBYYVLOIDRGX-FUHWJXTLSA-N 2 1 367.446 1.377 20 5 FDBDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595904620 552631397 /nfs/dbraw/zinc/63/13/97/552631397.db2.gz IWEBYYVLOIDRGX-FUHWJXTLSA-N 2 1 367.446 1.377 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596065161 552651759 /nfs/dbraw/zinc/65/17/59/552651759.db2.gz FGLQOAPMJCMOKL-HOTGVXAUSA-N 2 1 365.430 1.177 20 5 FDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)nc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000596091380 552654336 /nfs/dbraw/zinc/65/43/36/552654336.db2.gz JEKPLCMDOODKPZ-ZIAGYGMSSA-N 2 1 372.473 2.287 20 5 FDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[NH+](C3CC3)C2)nc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596091380 552654337 /nfs/dbraw/zinc/65/43/37/552654337.db2.gz JEKPLCMDOODKPZ-ZIAGYGMSSA-N 2 1 372.473 2.287 20 5 FDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[NH+](C3CC3)C2)nc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596091380 552654338 /nfs/dbraw/zinc/65/43/38/552654338.db2.gz JEKPLCMDOODKPZ-ZIAGYGMSSA-N 2 1 372.473 2.287 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000364656932 785131354 /nfs/dbraw/zinc/13/13/54/785131354.db2.gz LGVMCHNUGCRSEP-NCOADZHNSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000364656932 785131356 /nfs/dbraw/zinc/13/13/56/785131356.db2.gz LGVMCHNUGCRSEP-NCOADZHNSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364656932 785131361 /nfs/dbraw/zinc/13/13/61/785131361.db2.gz LGVMCHNUGCRSEP-NCOADZHNSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364656932 785131362 /nfs/dbraw/zinc/13/13/62/785131362.db2.gz LGVMCHNUGCRSEP-NCOADZHNSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1c(N2CC[NH+]3CCC[C@@H]3C2)ccnc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000376225585 786874621 /nfs/dbraw/zinc/87/46/21/786874621.db2.gz DPUAWJQHJAVVRX-HZPDHXFCSA-N 2 1 372.473 1.559 20 5 FDBDMP O=[N+]([O-])c1c(N2CC[N@@H+]3CCC[C@@H]3C2)ccnc1N1CC[NH+]2CCC[C@@H]2C1 ZINC000376225585 786874630 /nfs/dbraw/zinc/87/46/30/786874630.db2.gz DPUAWJQHJAVVRX-HZPDHXFCSA-N 2 1 372.473 1.559 20 5 FDBDMP O=[N+]([O-])c1c(N2CC[N@H+]3CCC[C@@H]3C2)ccnc1N1CC[NH+]2CCC[C@@H]2C1 ZINC000376225585 786874638 /nfs/dbraw/zinc/87/46/38/786874638.db2.gz DPUAWJQHJAVVRX-HZPDHXFCSA-N 2 1 372.473 1.559 20 5 FDBDMP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000420348165 813608577 /nfs/dbraw/zinc/60/85/77/813608577.db2.gz JXUSDUCZDUTFMP-LSDHHAIUSA-N 2 1 361.446 1.210 20 5 FDBDMP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000420348165 813608582 /nfs/dbraw/zinc/60/85/82/813608582.db2.gz JXUSDUCZDUTFMP-LSDHHAIUSA-N 2 1 361.446 1.210 20 5 FDBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420408696 813654503 /nfs/dbraw/zinc/65/45/03/813654503.db2.gz VBYSABKYCJZTCT-MZMPZRCHSA-N 2 1 373.457 1.876 20 5 FDBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420408696 813654508 /nfs/dbraw/zinc/65/45/08/813654508.db2.gz VBYSABKYCJZTCT-MZMPZRCHSA-N 2 1 373.457 1.876 20 5 FDBDMP C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)[C@H]2C1 ZINC000451612693 830409625 /nfs/dbraw/zinc/40/96/25/830409625.db2.gz MMUYZMMFLAAPOS-DLBZAZTESA-N 2 1 371.397 1.326 20 5 FDBDMP CN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)[C@H]2C1 ZINC000451612693 830409628 /nfs/dbraw/zinc/40/96/28/830409628.db2.gz MMUYZMMFLAAPOS-DLBZAZTESA-N 2 1 371.397 1.326 20 5 FDBDMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168978282 928204553 /nfs/dbraw/zinc/20/45/53/928204553.db2.gz QRZXXJMCAYSMLS-KGLIPLIRSA-N 2 1 356.467 1.750 20 5 FDBDMP C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110201 172101417 /nfs/dbraw/zinc/10/14/17/172101417.db2.gz QRZFSXYJYWSLBU-HKUYNNGSSA-N 2 1 373.457 1.606 20 5 FDBDMP C[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110201 172101421 /nfs/dbraw/zinc/10/14/21/172101421.db2.gz QRZFSXYJYWSLBU-HKUYNNGSSA-N 2 1 373.457 1.606 20 5 FDBDMP C[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110201 172101424 /nfs/dbraw/zinc/10/14/24/172101424.db2.gz QRZFSXYJYWSLBU-HKUYNNGSSA-N 2 1 373.457 1.606 20 5 FDBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000183147916 535928193 /nfs/dbraw/zinc/92/81/93/535928193.db2.gz KMEDVFDGPMFCPM-SCLBCKFNSA-N 2 1 370.413 1.997 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261796650 537253177 /nfs/dbraw/zinc/25/31/77/537253177.db2.gz ZPBAPICWMOYKHJ-JSGCOSHPSA-N 2 1 352.460 1.737 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261796650 537253179 /nfs/dbraw/zinc/25/31/79/537253179.db2.gz ZPBAPICWMOYKHJ-JSGCOSHPSA-N 2 1 352.460 1.737 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292212302 537717286 /nfs/dbraw/zinc/71/72/86/537717286.db2.gz UFDDUQGXRGLANS-GOSISDBHSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292212302 537717290 /nfs/dbraw/zinc/71/72/90/537717290.db2.gz UFDDUQGXRGLANS-GOSISDBHSA-N 2 1 362.430 1.960 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292212302 537717293 /nfs/dbraw/zinc/71/72/93/537717293.db2.gz UFDDUQGXRGLANS-GOSISDBHSA-N 2 1 362.430 1.960 20 5 FDBDMP O=C1N[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397457 538285758 /nfs/dbraw/zinc/28/57/58/538285758.db2.gz FMMPYLLLQLWILG-QZTJIDSGSA-N 2 1 373.457 1.357 20 5 FDBDMP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000563433168 546533707 /nfs/dbraw/zinc/53/37/07/546533707.db2.gz QYYJXEIEYKLYNJ-HOCLYGCPSA-N 2 1 356.382 1.599 20 5 FDBDMP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000563433168 546533712 /nfs/dbraw/zinc/53/37/12/546533712.db2.gz QYYJXEIEYKLYNJ-HOCLYGCPSA-N 2 1 356.382 1.599 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000567891250 548311337 /nfs/dbraw/zinc/31/13/37/548311337.db2.gz STAVCAKMNUUAPG-CFVMTHIKSA-N 2 1 362.430 1.991 20 5 FDBDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111916 548801091 /nfs/dbraw/zinc/80/10/91/548801091.db2.gz DUGMGFXMYFVWLL-NVXWUHKLSA-N 2 1 367.446 1.425 20 5 FDBDMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000595906282 552631726 /nfs/dbraw/zinc/63/17/26/552631726.db2.gz IUDGIFRMQKTGGR-CVEARBPZSA-N 2 1 367.446 1.377 20 5 FDBDMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000595906282 552631727 /nfs/dbraw/zinc/63/17/27/552631727.db2.gz IUDGIFRMQKTGGR-CVEARBPZSA-N 2 1 367.446 1.377 20 5 FDBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602810766 553642359 /nfs/dbraw/zinc/64/23/59/553642359.db2.gz IUTXHWHTTVEXPN-ZBFHGGJFSA-N 2 1 353.467 1.826 20 5 FDBDMP COC[C@]1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000423417944 680792546 /nfs/dbraw/zinc/79/25/46/680792546.db2.gz HNXRFAWOOXSSQL-CXAGYDPISA-N 2 1 350.419 1.670 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420410129 680441569 /nfs/dbraw/zinc/44/15/69/680441569.db2.gz RBAJVOBBUJHTJN-STQMWFEESA-N 2 1 350.419 1.849 20 5 FDBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC[NH+]2CCC(O)CC2)n1 ZINC000472604682 685227360 /nfs/dbraw/zinc/22/73/60/685227360.db2.gz BORRFHZCNRMKIW-HOTGVXAUSA-N 2 1 351.451 1.711 20 5 FDBDMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415146506 791501374 /nfs/dbraw/zinc/50/13/74/791501374.db2.gz YROFBAQDWZQEQS-SJORKVTESA-N 2 1 373.457 1.623 20 5 FDBDMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415146506 791501378 /nfs/dbraw/zinc/50/13/78/791501378.db2.gz YROFBAQDWZQEQS-SJORKVTESA-N 2 1 373.457 1.623 20 5 FDBDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000905500274 851972222 /nfs/dbraw/zinc/97/22/22/851972222.db2.gz ABFCANDQULSSSO-GFEQUFNTSA-N 2 1 363.458 1.698 20 5 FDBDMP C[NH+](C)CCOc1cc(NCC2([NH+]3CCCC3)COC2)ccc1[N+](=O)[O-] ZINC001168448331 871117047 /nfs/dbraw/zinc/11/70/47/871117047.db2.gz VFBGVFQXLATOMR-UHFFFAOYSA-N 2 1 364.446 1.812 20 5 FDBDMP COc1cc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)c([N+](=O)[O-])cc1F ZINC000766064186 883618941 /nfs/dbraw/zinc/61/89/41/883618941.db2.gz LSRAZKOLFCVPRF-OAHLLOKOSA-N 2 1 370.381 1.850 20 5 FDBDMP COc1cc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)c([N+](=O)[O-])cc1F ZINC000766064186 883618949 /nfs/dbraw/zinc/61/89/49/883618949.db2.gz LSRAZKOLFCVPRF-OAHLLOKOSA-N 2 1 370.381 1.850 20 5 FDBDMP COCCN1CCOC[C@]2(CCC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169022792 928246009 /nfs/dbraw/zinc/24/60/09/928246009.db2.gz SRKYAVAVSQTFOO-FGTMMUONSA-N 2 1 355.479 1.493 20 5 FDBDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049602 928255663 /nfs/dbraw/zinc/25/56/63/928255663.db2.gz WUGNHGOFIQXCHW-BFYDXBDKSA-N 2 1 353.463 1.781 20 5 FDBDMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698148 962587297 /nfs/dbraw/zinc/58/72/97/962587297.db2.gz VGCTXCQNHQOKSD-ZDUSSCGKSA-N 2 1 370.475 1.275 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574545 995027796 /nfs/dbraw/zinc/02/77/96/995027796.db2.gz BGZZKSKIXAITPS-BBRMVZONSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574545 995027805 /nfs/dbraw/zinc/02/78/05/995027805.db2.gz BGZZKSKIXAITPS-BBRMVZONSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574545 995027814 /nfs/dbraw/zinc/02/78/14/995027814.db2.gz BGZZKSKIXAITPS-BBRMVZONSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574545 995027828 /nfs/dbraw/zinc/02/78/28/995027828.db2.gz BGZZKSKIXAITPS-BBRMVZONSA-N 2 1 362.430 1.958 20 5 FDBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000887134739 996960840 /nfs/dbraw/zinc/96/08/40/996960840.db2.gz POAZALCXNNLZGS-DOTOQJQBSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000887134739 996960841 /nfs/dbraw/zinc/96/08/41/996960841.db2.gz POAZALCXNNLZGS-DOTOQJQBSA-N 2 1 372.425 1.940 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441541 1004166521 /nfs/dbraw/zinc/16/65/21/1004166521.db2.gz UMEPZAUBNPRZRH-UONOGXRCSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931441541 1004166530 /nfs/dbraw/zinc/16/65/30/1004166530.db2.gz UMEPZAUBNPRZRH-UONOGXRCSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931441541 1004166534 /nfs/dbraw/zinc/16/65/34/1004166534.db2.gz UMEPZAUBNPRZRH-UONOGXRCSA-N 2 1 362.430 1.816 20 5 FDBDMP C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173396835 258298024 /nfs/dbraw/zinc/29/80/24/258298024.db2.gz XSJJIIRISYKKOH-LJQANCHMSA-N 2 1 373.457 1.749 20 5 FDBDMP C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173396835 258298025 /nfs/dbraw/zinc/29/80/25/258298025.db2.gz XSJJIIRISYKKOH-LJQANCHMSA-N 2 1 373.457 1.749 20 5 FDBDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081572923 172191361 /nfs/dbraw/zinc/19/13/61/172191361.db2.gz HSMKFRUONMAIGQ-RDJZCZTQSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081572923 172191363 /nfs/dbraw/zinc/19/13/63/172191363.db2.gz HSMKFRUONMAIGQ-RDJZCZTQSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081572923 172191366 /nfs/dbraw/zinc/19/13/66/172191366.db2.gz HSMKFRUONMAIGQ-RDJZCZTQSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081572923 172191367 /nfs/dbraw/zinc/19/13/67/172191367.db2.gz HSMKFRUONMAIGQ-RDJZCZTQSA-N 2 1 351.447 1.998 20 5 FDBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176338547 174065927 /nfs/dbraw/zinc/06/59/27/174065927.db2.gz MQPNXGQQXVRUEX-CQSZACIVSA-N 2 1 363.462 1.665 20 5 FDBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000170628286 525647194 /nfs/dbraw/zinc/64/71/94/525647194.db2.gz GLNGIXWJGPQGCX-OAHLLOKOSA-N 2 1 363.462 1.786 20 5 FDBDMP O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247060446 537075984 /nfs/dbraw/zinc/07/59/84/537075984.db2.gz VLFVTTFXGHEFRP-KGLIPLIRSA-N 2 1 368.459 1.090 20 5 FDBDMP O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000247060446 537075985 /nfs/dbraw/zinc/07/59/85/537075985.db2.gz VLFVTTFXGHEFRP-KGLIPLIRSA-N 2 1 368.459 1.090 20 5 FDBDMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472614595 538670877 /nfs/dbraw/zinc/67/08/77/538670877.db2.gz VYNPDWLGZRACOE-SJORKVTESA-N 2 1 364.494 1.892 20 5 FDBDMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000472626792 538675755 /nfs/dbraw/zinc/67/57/55/538675755.db2.gz CTXCBXIKWOCWTR-HUUCEWRRSA-N 2 1 351.451 1.975 20 5 FDBDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506171132 538869156 /nfs/dbraw/zinc/86/91/56/538869156.db2.gz CJRNCVDLZISVNV-HNNXBMFYSA-N 2 1 364.446 1.789 20 5 FDBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506171132 538869161 /nfs/dbraw/zinc/86/91/61/538869161.db2.gz CJRNCVDLZISVNV-HNNXBMFYSA-N 2 1 364.446 1.789 20 5 FDBDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000566116774 547610978 /nfs/dbraw/zinc/61/09/78/547610978.db2.gz QMZRDVNTQUXCDG-KXBFYZLASA-N 2 1 373.457 1.967 20 5 FDBDMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000578956660 550818624 /nfs/dbraw/zinc/81/86/24/550818624.db2.gz OYVIHZOWENKKLF-LJQANCHMSA-N 2 1 373.457 1.715 20 5 FDBDMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1[NH3+] ZINC000592487879 552000544 /nfs/dbraw/zinc/00/05/44/552000544.db2.gz AELBKEZACGNJNY-GXTWGEPZSA-N 2 1 350.419 1.991 20 5 FDBDMP NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c([N+](=O)[O-])c1 ZINC000593729447 552184696 /nfs/dbraw/zinc/18/46/96/552184696.db2.gz FFXQYKTVIGVFSB-BFYDXBDKSA-N 2 1 362.430 1.555 20 5 FDBDMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595863252 552625148 /nfs/dbraw/zinc/62/51/48/552625148.db2.gz MBFLJBRQQVFEGI-QGZVFWFLSA-N 2 1 362.430 1.454 20 5 FDBDMP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595863252 552625149 /nfs/dbraw/zinc/62/51/49/552625149.db2.gz MBFLJBRQQVFEGI-QGZVFWFLSA-N 2 1 362.430 1.454 20 5 FDBDMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595863251 552625158 /nfs/dbraw/zinc/62/51/58/552625158.db2.gz MBFLJBRQQVFEGI-KRWDZBQOSA-N 2 1 362.430 1.454 20 5 FDBDMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595863251 552625159 /nfs/dbraw/zinc/62/51/59/552625159.db2.gz MBFLJBRQQVFEGI-KRWDZBQOSA-N 2 1 362.430 1.454 20 5 FDBDMP O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)n1 ZINC000595907052 552631614 /nfs/dbraw/zinc/63/16/14/552631614.db2.gz DXSMAXOUDPCZHK-UHFFFAOYSA-N 2 1 373.461 1.861 20 5 FDBDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000600746467 553310320 /nfs/dbraw/zinc/31/03/20/553310320.db2.gz TZMJURNLSSQONF-HDICACEKSA-N 2 1 360.414 1.824 20 5 FDBDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000600746467 553310323 /nfs/dbraw/zinc/31/03/23/553310323.db2.gz TZMJURNLSSQONF-HDICACEKSA-N 2 1 360.414 1.824 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000612092726 554733154 /nfs/dbraw/zinc/73/31/54/554733154.db2.gz KZRKNELQNVYPGU-INIZCTEOSA-N 2 1 358.398 1.552 20 5 FDBDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000436059335 681660852 /nfs/dbraw/zinc/66/08/52/681660852.db2.gz ATMXSXXUQBGTLY-HNNXBMFYSA-N 2 1 350.419 1.293 20 5 FDBDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000379653562 774046983 /nfs/dbraw/zinc/04/69/83/774046983.db2.gz GFVBWVBCFKAYQH-SUMDDJOVSA-N 2 1 373.457 1.795 20 5 FDBDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000379653562 774046988 /nfs/dbraw/zinc/04/69/88/774046988.db2.gz GFVBWVBCFKAYQH-SUMDDJOVSA-N 2 1 373.457 1.795 20 5 FDBDMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261833283 774500514 /nfs/dbraw/zinc/50/05/14/774500514.db2.gz LCPYGMJXKJBEIY-DYVFJYSZSA-N 2 1 364.421 1.814 20 5 FDBDMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261833283 774500516 /nfs/dbraw/zinc/50/05/16/774500516.db2.gz LCPYGMJXKJBEIY-DYVFJYSZSA-N 2 1 364.421 1.814 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000261947234 774581622 /nfs/dbraw/zinc/58/16/22/774581622.db2.gz YLFZRTXPQAULBF-BBRMVZONSA-N 2 1 364.421 1.814 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000261947234 774581623 /nfs/dbraw/zinc/58/16/23/774581623.db2.gz YLFZRTXPQAULBF-BBRMVZONSA-N 2 1 364.421 1.814 20 5 FDBDMP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000420330890 813620078 /nfs/dbraw/zinc/62/00/78/813620078.db2.gz IJOVZNZWZBSUER-OKILXGFUSA-N 2 1 362.430 1.863 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311822644 896565524 /nfs/dbraw/zinc/56/55/24/896565524.db2.gz QPMCGPYZKYUCIZ-AEFFLSMTSA-N 2 1 359.430 1.264 20 5 FDBDMP C[NH+](C)CCOCc1ncn2c1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169021914 928245325 /nfs/dbraw/zinc/24/53/25/928245325.db2.gz BBRYGUTXXMIGSD-JKSUJKDBSA-N 2 1 365.478 1.612 20 5 FDBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN2CCC[N@@H+](C)CC2)c1F ZINC001173187674 961957025 /nfs/dbraw/zinc/95/70/25/961957025.db2.gz FFZMVWUWKZZIOH-CQSZACIVSA-N 2 1 368.453 1.901 20 5 FDBDMP COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC001175203399 963075775 /nfs/dbraw/zinc/07/57/75/963075775.db2.gz MYWGXCWMVNPSNW-UHFFFAOYSA-N 2 1 364.446 1.484 20 5 FDBDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000853685260 968249424 /nfs/dbraw/zinc/24/94/24/968249424.db2.gz FTXFMAYDHGSPJV-CQSZACIVSA-N 2 1 358.345 1.981 20 5 FDBDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000853685260 968249437 /nfs/dbraw/zinc/24/94/37/968249437.db2.gz FTXFMAYDHGSPJV-CQSZACIVSA-N 2 1 358.345 1.981 20 5 FDBDMP C[NH+](C)CC1(O)CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000931481037 1004196625 /nfs/dbraw/zinc/19/66/25/1004196625.db2.gz HXKGOTUVZSJQBI-MRXNPFEDSA-N 2 1 362.430 1.089 20 5 FDBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000523484256 539611449 /nfs/dbraw/zinc/61/14/49/539611449.db2.gz HQQGFPSBWALFJW-AWEZNQCLSA-N 2 1 351.451 1.421 20 5 FDBDMP CCc1[nH]nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000275066760 181229495 /nfs/dbraw/zinc/22/94/95/181229495.db2.gz AFLZPCWJSMZVLT-UHFFFAOYSA-N 2 1 354.455 1.226 20 5 FDBDMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174782164 524736343 /nfs/dbraw/zinc/73/63/43/524736343.db2.gz MBEOQDAIQRWFKC-UWWQBHOKSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174782164 524736349 /nfs/dbraw/zinc/73/63/49/524736349.db2.gz MBEOQDAIQRWFKC-UWWQBHOKSA-N 2 1 351.447 1.997 20 5 FDBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162105590 525214387 /nfs/dbraw/zinc/21/43/87/525214387.db2.gz UFMFROONQQAZJD-DVOMOZLQSA-N 2 1 370.475 1.191 20 5 FDBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000183147853 535928209 /nfs/dbraw/zinc/92/82/09/535928209.db2.gz KMEDVFDGPMFCPM-ACJLOTCBSA-N 2 1 370.413 1.997 20 5 FDBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248453423 537184344 /nfs/dbraw/zinc/18/43/44/537184344.db2.gz JZKCXTCAGQWAAC-JYJNAYRXSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248453423 537184345 /nfs/dbraw/zinc/18/43/45/537184345.db2.gz JZKCXTCAGQWAAC-JYJNAYRXSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248453423 537184346 /nfs/dbraw/zinc/18/43/46/537184346.db2.gz JZKCXTCAGQWAAC-JYJNAYRXSA-N 2 1 351.447 1.997 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414827536 537922740 /nfs/dbraw/zinc/92/27/40/537922740.db2.gz XSZOHGHUUNONLH-GXTWGEPZSA-N 2 1 351.403 1.624 20 5 FDBDMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000420321560 538264557 /nfs/dbraw/zinc/26/45/57/538264557.db2.gz CUORHGCFQFLLOK-AWEZNQCLSA-N 2 1 362.430 1.611 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061699 538387921 /nfs/dbraw/zinc/38/79/21/538387921.db2.gz SHHNMXNIGQYNQY-STQMWFEESA-N 2 1 350.419 1.991 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061699 538387926 /nfs/dbraw/zinc/38/79/26/538387926.db2.gz SHHNMXNIGQYNQY-STQMWFEESA-N 2 1 350.419 1.991 20 5 FDBDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000566116764 547611146 /nfs/dbraw/zinc/61/11/46/547611146.db2.gz QMZRDVNTQUXCDG-BEFAXECRSA-N 2 1 373.457 1.967 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000567678914 548208809 /nfs/dbraw/zinc/20/88/09/548208809.db2.gz DWKRAYWLPWOICD-PKOBYXMFSA-N 2 1 373.457 1.306 20 5 FDBDMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000571208996 549565756 /nfs/dbraw/zinc/56/57/56/549565756.db2.gz KYNCZZIFAVZQJI-IRXDYDNUSA-N 2 1 367.446 1.017 20 5 FDBDMP C[C@H]1CC2(C[N@H+]1CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC[NH2+]CC2 ZINC000577171407 550627767 /nfs/dbraw/zinc/62/77/67/550627767.db2.gz GTRVXPFFJZYJKC-AWEZNQCLSA-N 2 1 358.442 1.948 20 5 FDBDMP CN(CCC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC[NH+](C)C ZINC000589210491 551717527 /nfs/dbraw/zinc/71/75/27/551717527.db2.gz CUWCNADHFIWBMZ-UHFFFAOYSA-N 2 1 366.462 1.681 20 5 FDBDMP CN(CCC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC[NH+](C)C ZINC000589210491 551717530 /nfs/dbraw/zinc/71/75/30/551717530.db2.gz CUWCNADHFIWBMZ-UHFFFAOYSA-N 2 1 366.462 1.681 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597941863 552848832 /nfs/dbraw/zinc/84/88/32/552848832.db2.gz FMENYXANXITDKN-NSHDSACASA-N 2 1 355.414 1.318 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597941863 552848833 /nfs/dbraw/zinc/84/88/33/552848833.db2.gz FMENYXANXITDKN-NSHDSACASA-N 2 1 355.414 1.318 20 5 FDBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599660323 553115497 /nfs/dbraw/zinc/11/54/97/553115497.db2.gz NIBMCGCEJQQQFU-GOSISDBHSA-N 2 1 361.446 1.736 20 5 FDBDMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602876623 553657869 /nfs/dbraw/zinc/65/78/69/553657869.db2.gz HMPYRZQJYHNYKT-QGZVFWFLSA-N 2 1 350.419 1.312 20 5 FDBDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602876623 553657872 /nfs/dbraw/zinc/65/78/72/553657872.db2.gz HMPYRZQJYHNYKT-QGZVFWFLSA-N 2 1 350.419 1.312 20 5 FDBDMP C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCCN1CC[NH+](C)CC1 ZINC000182950594 672221109 /nfs/dbraw/zinc/22/11/09/672221109.db2.gz QQQNBRKHFRJAJQ-UHFFFAOYSA-N 2 1 350.463 1.933 20 5 FDBDMP Cn1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262113446 774833298 /nfs/dbraw/zinc/83/32/98/774833298.db2.gz KTPWLNXAINYVDA-GOSISDBHSA-N 2 1 370.457 1.475 20 5 FDBDMP Cc1cc(N2CCC([N@H+](C)Cc3c([N+](=O)[O-])ncn3C)CC2)nc(C)n1 ZINC000365784438 794028913 /nfs/dbraw/zinc/02/89/13/794028913.db2.gz GDCHCJXQKZDAKS-UHFFFAOYSA-N 2 1 359.434 1.836 20 5 FDBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420347596 813613433 /nfs/dbraw/zinc/61/34/33/813613433.db2.gz HOAPTBXCQBEFEQ-HNNXBMFYSA-N 2 1 358.402 1.124 20 5 FDBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420347596 813613438 /nfs/dbraw/zinc/61/34/38/813613438.db2.gz HOAPTBXCQBEFEQ-HNNXBMFYSA-N 2 1 358.402 1.124 20 5 FDBDMP O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366765 889016543 /nfs/dbraw/zinc/01/65/43/889016543.db2.gz OPLAISWOTBCBSL-AWEZNQCLSA-N 2 1 369.263 1.837 20 5 FDBDMP O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366765 889016561 /nfs/dbraw/zinc/01/65/61/889016561.db2.gz OPLAISWOTBCBSL-AWEZNQCLSA-N 2 1 369.263 1.837 20 5 FDBDMP C[N@@H+]1CCc2c(-n3nnc(-c4cccc(C[NH3+])c4)n3)ccc([N+](=O)[O-])c2C1 ZINC001168887226 928166385 /nfs/dbraw/zinc/16/63/85/928166385.db2.gz DVRSBRBUVYUPPS-UHFFFAOYSA-N 2 1 365.397 1.684 20 5 FDBDMP C[N@H+]1CCc2c(-n3nnc(-c4cccc(C[NH3+])c4)n3)ccc([N+](=O)[O-])c2C1 ZINC001168887226 928166389 /nfs/dbraw/zinc/16/63/89/928166389.db2.gz DVRSBRBUVYUPPS-UHFFFAOYSA-N 2 1 365.397 1.684 20 5 FDBDMP Cn1cc[nH+]c1N([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001169019315 928240417 /nfs/dbraw/zinc/24/04/17/928240417.db2.gz HPFOOJXOTFEZQD-XHSDSOJGSA-N 2 1 363.462 1.583 20 5 FDBDMP C[NH+]1CCN(c2ncc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000809736301 940892101 /nfs/dbraw/zinc/89/21/01/940892101.db2.gz OBZFOSUNDOIOTJ-UHFFFAOYSA-N 2 1 371.445 1.102 20 5 FDBDMP CC(C)c1[nH]nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000870020386 985525181 /nfs/dbraw/zinc/52/51/81/985525181.db2.gz OPVQWQLRDVLNCT-CHWSQXEVSA-N 2 1 366.466 1.253 20 5 FDBDMP COCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CC[NH+](C)CC1 ZINC000879125901 994560003 /nfs/dbraw/zinc/56/00/03/994560003.db2.gz LMIHWYBUANIKTC-SFHVURJKSA-N 2 1 351.447 1.918 20 5 FDBDMP C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000880264677 995767657 /nfs/dbraw/zinc/76/76/57/995767657.db2.gz ZGXVAHKXGWDRSF-CRAIPNDOSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000880264677 995767667 /nfs/dbraw/zinc/76/76/67/995767667.db2.gz ZGXVAHKXGWDRSF-CRAIPNDOSA-N 2 1 372.425 1.940 20 5 FDBDMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000076003162 172100122 /nfs/dbraw/zinc/10/01/22/172100122.db2.gz SACQALQOVPXZLZ-WBVHZDCISA-N 2 1 351.447 1.998 20 5 FDBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000076003162 172100125 /nfs/dbraw/zinc/10/01/25/172100125.db2.gz SACQALQOVPXZLZ-WBVHZDCISA-N 2 1 351.447 1.998 20 5 FDBDMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000331929022 259229443 /nfs/dbraw/zinc/22/94/43/259229443.db2.gz PIRKTXIWQHSROQ-UHFFFAOYSA-N 2 1 364.450 1.029 20 5 FDBDMP CCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000006879359 518389080 /nfs/dbraw/zinc/38/90/80/518389080.db2.gz UHXQQWJYVOPQNM-UHFFFAOYSA-N 2 1 370.475 1.337 20 5 FDBDMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075642738 522950432 /nfs/dbraw/zinc/95/04/32/522950432.db2.gz SXJDNVSWMSLZTK-KRWDZBQOSA-N 2 1 353.467 1.596 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151291441 524550347 /nfs/dbraw/zinc/55/03/47/524550347.db2.gz OXKYNMMPEUHCPD-KRWDZBQOSA-N 2 1 358.398 1.552 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114477747 524815317 /nfs/dbraw/zinc/81/53/17/524815317.db2.gz DDZJVVMZOIYUFS-ZDUSSCGKSA-N 2 1 350.419 1.816 20 5 FDBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184675997 536175566 /nfs/dbraw/zinc/17/55/66/536175566.db2.gz YKLMPLLAISNWKU-OAHLLOKOSA-N 2 1 364.446 1.789 20 5 FDBDMP C[C@H]1CC2(C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424286087 538271464 /nfs/dbraw/zinc/27/14/64/538271464.db2.gz GXSKPXRRPDSUMZ-AWEZNQCLSA-N 2 1 367.471 1.833 20 5 FDBDMP C[C@H]1CC2(C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424286087 538271472 /nfs/dbraw/zinc/27/14/72/538271472.db2.gz GXSKPXRRPDSUMZ-AWEZNQCLSA-N 2 1 367.471 1.833 20 5 FDBDMP COc1ccc(NC(=O)CC[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420353873 538275870 /nfs/dbraw/zinc/27/58/70/538275870.db2.gz AUWZDLKTSOUMDG-XWCIJXRUSA-N 2 1 350.419 1.908 20 5 FDBDMP COCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000574910513 550391089 /nfs/dbraw/zinc/39/10/89/550391089.db2.gz LZDHKGZMXVQRIB-JKSUJKDBSA-N 2 1 351.451 1.975 20 5 FDBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000577062403 550616493 /nfs/dbraw/zinc/61/64/93/550616493.db2.gz AQRNRLVYNQQFGY-AEGPPILISA-N 2 1 360.414 1.952 20 5 FDBDMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581071601 551049231 /nfs/dbraw/zinc/04/92/31/551049231.db2.gz GWAMOZGAKUDTMO-HZPDHXFCSA-N 2 1 367.446 1.017 20 5 FDBDMP COc1c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597942290 552848747 /nfs/dbraw/zinc/84/87/47/552848747.db2.gz KSEXMXICLOXEKK-ZDUSSCGKSA-N 2 1 352.435 1.605 20 5 FDBDMP COc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597942290 552848749 /nfs/dbraw/zinc/84/87/49/552848749.db2.gz KSEXMXICLOXEKK-ZDUSSCGKSA-N 2 1 352.435 1.605 20 5 FDBDMP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])cc1OC ZINC000262114672 672728553 /nfs/dbraw/zinc/72/85/53/672728553.db2.gz LABJAYVYBVGIRD-CQSZACIVSA-N 2 1 350.419 1.092 20 5 FDBDMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])cc1OC ZINC000262114672 672728561 /nfs/dbraw/zinc/72/85/61/672728561.db2.gz LABJAYVYBVGIRD-CQSZACIVSA-N 2 1 350.419 1.092 20 5 FDBDMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422983032 680769856 /nfs/dbraw/zinc/76/98/56/680769856.db2.gz SGHBYQSFDMPYIU-QWHCGFSZSA-N 2 1 356.448 1.123 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261833290 774500487 /nfs/dbraw/zinc/50/04/87/774500487.db2.gz LCPYGMJXKJBEIY-SUMWQHHRSA-N 2 1 364.421 1.814 20 5 FDBDMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261833290 774500489 /nfs/dbraw/zinc/50/04/89/774500489.db2.gz LCPYGMJXKJBEIY-SUMWQHHRSA-N 2 1 364.421 1.814 20 5 FDBDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819043348 943392442 /nfs/dbraw/zinc/39/24/42/943392442.db2.gz SJRSIVAIVJOQPO-KRWDZBQOSA-N 2 1 364.446 1.161 20 5 FDBDMP CC[NH+]1CCN(CCCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876928685 992971738 /nfs/dbraw/zinc/97/17/38/992971738.db2.gz MEMNRDAIQLRTSN-UHFFFAOYSA-N 2 1 350.467 1.502 20 5 FDBDMP C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880261551 995764048 /nfs/dbraw/zinc/76/40/48/995764048.db2.gz WKEYNMKMILRNTG-DOTOQJQBSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880261551 995764060 /nfs/dbraw/zinc/76/40/60/995764060.db2.gz WKEYNMKMILRNTG-DOTOQJQBSA-N 2 1 372.425 1.940 20 5 FDBDMP Cn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237927881 178338569 /nfs/dbraw/zinc/33/85/69/178338569.db2.gz YPQCUEJEYRENIX-KRWDZBQOSA-N 2 1 359.430 1.542 20 5 FDBDMP Cc1cc(NC[C@@](C)(O)C[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302211208 259039939 /nfs/dbraw/zinc/03/99/39/259039939.db2.gz YPKCUYICDBNKHN-GOSISDBHSA-N 2 1 360.414 1.947 20 5 FDBDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081636284 524159076 /nfs/dbraw/zinc/15/90/76/524159076.db2.gz YMCAFRLMQNKEMS-WMZOPIPTSA-N 2 1 363.458 1.998 20 5 FDBDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081636284 524159084 /nfs/dbraw/zinc/15/90/84/524159084.db2.gz YMCAFRLMQNKEMS-WMZOPIPTSA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081636284 524159092 /nfs/dbraw/zinc/15/90/92/524159092.db2.gz YMCAFRLMQNKEMS-WMZOPIPTSA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081636284 524159100 /nfs/dbraw/zinc/15/91/00/524159100.db2.gz YMCAFRLMQNKEMS-WMZOPIPTSA-N 2 1 363.458 1.998 20 5 FDBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162105306 525214081 /nfs/dbraw/zinc/21/40/81/525214081.db2.gz UFMFROONQQAZJD-WWGRRREGSA-N 2 1 370.475 1.191 20 5 FDBDMP O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246303841 536922201 /nfs/dbraw/zinc/92/22/01/536922201.db2.gz DHBJNHXJYQXTDD-KBPBESRZSA-N 2 1 368.459 1.090 20 5 FDBDMP O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246303841 536922203 /nfs/dbraw/zinc/92/22/03/536922203.db2.gz DHBJNHXJYQXTDD-KBPBESRZSA-N 2 1 368.459 1.090 20 5 FDBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245427488 537658422 /nfs/dbraw/zinc/65/84/22/537658422.db2.gz MBEOQDAIQRWFKC-ZVZYQTTQSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245427488 537658425 /nfs/dbraw/zinc/65/84/25/537658425.db2.gz MBEOQDAIQRWFKC-ZVZYQTTQSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245427488 537658429 /nfs/dbraw/zinc/65/84/29/537658429.db2.gz MBEOQDAIQRWFKC-ZVZYQTTQSA-N 2 1 351.447 1.997 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000474344849 538834724 /nfs/dbraw/zinc/83/47/24/538834724.db2.gz MDJSBRMHBHMFQA-CABCVRRESA-N 2 1 363.414 1.863 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000474344849 538834728 /nfs/dbraw/zinc/83/47/28/538834728.db2.gz MDJSBRMHBHMFQA-CABCVRRESA-N 2 1 363.414 1.863 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000474344850 538835237 /nfs/dbraw/zinc/83/52/37/538835237.db2.gz MDJSBRMHBHMFQA-GJZGRUSLSA-N 2 1 363.414 1.863 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000474344850 538835244 /nfs/dbraw/zinc/83/52/44/538835244.db2.gz MDJSBRMHBHMFQA-GJZGRUSLSA-N 2 1 363.414 1.863 20 5 FDBDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000564850543 547065815 /nfs/dbraw/zinc/06/58/15/547065815.db2.gz VPTZGYSIRDSCSW-RDJZCZTQSA-N 2 1 351.447 1.902 20 5 FDBDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000575116519 550428432 /nfs/dbraw/zinc/42/84/32/550428432.db2.gz CPXRKUJDVHFRHO-CVEARBPZSA-N 2 1 351.447 1.902 20 5 FDBDMP NC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c([N+](=O)[O-])c1 ZINC000593736085 552187260 /nfs/dbraw/zinc/18/72/60/552187260.db2.gz FPLJZYJCHICZCI-YQQAZPJKSA-N 2 1 362.430 1.412 20 5 FDBDMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601131505 553350824 /nfs/dbraw/zinc/35/08/24/553350824.db2.gz ZLYORSCOTRWNDD-GOSISDBHSA-N 2 1 369.425 1.886 20 5 FDBDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601131505 553350825 /nfs/dbraw/zinc/35/08/25/553350825.db2.gz ZLYORSCOTRWNDD-GOSISDBHSA-N 2 1 369.425 1.886 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602844336 553649119 /nfs/dbraw/zinc/64/91/19/553649119.db2.gz AVNQRKIEWGZGGV-SFHVURJKSA-N 2 1 372.425 1.942 20 5 FDBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430594591 681084859 /nfs/dbraw/zinc/08/48/59/681084859.db2.gz KZSSIAJURLMPLN-ZDUSSCGKSA-N 2 1 350.419 1.752 20 5 FDBDMP O=[N+]([O-])c1c(N2CC[NH+]3CCC[C@H]3C2)ccnc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000376225583 786874122 /nfs/dbraw/zinc/87/41/22/786874122.db2.gz DPUAWJQHJAVVRX-HOTGVXAUSA-N 2 1 372.473 1.559 20 5 FDBDMP O=[N+]([O-])c1c(N2CC[N@@H+]3CCC[C@H]3C2)ccnc1N1CC[NH+]2CCC[C@H]2C1 ZINC000376225583 786874129 /nfs/dbraw/zinc/87/41/29/786874129.db2.gz DPUAWJQHJAVVRX-HOTGVXAUSA-N 2 1 372.473 1.559 20 5 FDBDMP O=[N+]([O-])c1c(N2CC[N@H+]3CCC[C@H]3C2)ccnc1N1CC[NH+]2CCC[C@H]2C1 ZINC000376225583 786874137 /nfs/dbraw/zinc/87/41/37/786874137.db2.gz DPUAWJQHJAVVRX-HOTGVXAUSA-N 2 1 372.473 1.559 20 5 FDBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c([N+](=O)[O-])cnn1C ZINC000892848963 791433486 /nfs/dbraw/zinc/43/34/86/791433486.db2.gz XDCWXSKRYBWVKL-UHFFFAOYSA-N 2 1 364.494 1.961 20 5 FDBDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818998331 943378383 /nfs/dbraw/zinc/37/83/83/943378383.db2.gz QKEUVESDOFTBBR-SJORKVTESA-N 2 1 364.446 1.161 20 5 FDBDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818998331 943378388 /nfs/dbraw/zinc/37/83/88/943378388.db2.gz QKEUVESDOFTBBR-SJORKVTESA-N 2 1 364.446 1.161 20 5 FDBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000819218868 943492795 /nfs/dbraw/zinc/49/27/95/943492795.db2.gz MBECWMLZRBKSJJ-PMACEKPBSA-N 2 1 371.437 1.985 20 5 FDBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCC[NH+](CCO)CCO)CC2 ZINC001172898778 961812118 /nfs/dbraw/zinc/81/21/18/961812118.db2.gz JFYHYDSKKUXCNF-QGZVFWFLSA-N 2 1 351.447 1.109 20 5 FDBDMP C[NH+](C)CCC[N@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000853798233 968327521 /nfs/dbraw/zinc/32/75/21/968327521.db2.gz DMJIEIMBTRNQRU-UHFFFAOYSA-N 2 1 351.407 1.221 20 5 FDBDMP C[NH+](C)CCC[N@@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000853798233 968327530 /nfs/dbraw/zinc/32/75/30/968327530.db2.gz DMJIEIMBTRNQRU-UHFFFAOYSA-N 2 1 351.407 1.221 20 5 FDBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000872255036 987546096 /nfs/dbraw/zinc/54/60/96/987546096.db2.gz OUWZGFKFYOYYNJ-LSHSJHMUSA-N 2 1 358.398 1.475 20 5 FDBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000872255036 987546104 /nfs/dbraw/zinc/54/61/04/987546104.db2.gz OUWZGFKFYOYYNJ-LSHSJHMUSA-N 2 1 358.398 1.475 20 5 FDBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000887134741 996961108 /nfs/dbraw/zinc/96/11/08/996961108.db2.gz POAZALCXNNLZGS-RDJZCZTQSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000887134741 996961116 /nfs/dbraw/zinc/96/11/16/996961116.db2.gz POAZALCXNNLZGS-RDJZCZTQSA-N 2 1 372.425 1.940 20 5 FDBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000571891159 549793309 /nfs/dbraw/zinc/79/33/09/549793309.db2.gz LIPMJDFTLAXDHB-GJZGRUSLSA-N 2 1 364.450 1.029 20 5 FDBDMP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCN2C1=O ZINC000575935563 550492868 /nfs/dbraw/zinc/49/28/68/550492868.db2.gz YUSLBEOZHONXST-GOEBONIOSA-N 2 1 356.382 1.599 20 5 FDBDMP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCN2C1=O ZINC000575935563 550492869 /nfs/dbraw/zinc/49/28/69/550492869.db2.gz YUSLBEOZHONXST-GOEBONIOSA-N 2 1 356.382 1.599 20 5 FDBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@H]21 ZINC000577062405 550616506 /nfs/dbraw/zinc/61/65/06/550616506.db2.gz AQRNRLVYNQQFGY-NWANDNLSSA-N 2 1 360.414 1.952 20 5 FDBDMP C[N@H+]1CCN(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000578981883 550822227 /nfs/dbraw/zinc/82/22/27/550822227.db2.gz UDFDXPJAZBMXRS-UHFFFAOYSA-N 2 1 363.462 1.539 20 5 FDBDMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CCO2 ZINC000592183896 551954670 /nfs/dbraw/zinc/95/46/70/551954670.db2.gz DQEBTDPDZWGZJT-HNNXBMFYSA-N 2 1 365.430 1.131 20 5 FDBDMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CCO2 ZINC000592183896 551954671 /nfs/dbraw/zinc/95/46/71/551954671.db2.gz DQEBTDPDZWGZJT-HNNXBMFYSA-N 2 1 365.430 1.131 20 5 FDBDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000595906285 552631683 /nfs/dbraw/zinc/63/16/83/552631683.db2.gz IUDGIFRMQKTGGR-JKSUJKDBSA-N 2 1 367.446 1.377 20 5 FDBDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000595906285 552631684 /nfs/dbraw/zinc/63/16/84/552631684.db2.gz IUDGIFRMQKTGGR-JKSUJKDBSA-N 2 1 367.446 1.377 20 5 FDBDMP Cn1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])n1 ZINC000602616509 553612754 /nfs/dbraw/zinc/61/27/54/553612754.db2.gz VHTYMFLBTVDIGM-UHFFFAOYSA-N 2 1 350.467 1.178 20 5 FDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000602797409 553640795 /nfs/dbraw/zinc/64/07/95/553640795.db2.gz IRIXLBXVOMZFCQ-GDBMZVCRSA-N 2 1 350.467 1.058 20 5 FDBDMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422949775 680767776 /nfs/dbraw/zinc/76/77/76/680767776.db2.gz WIPJZXYPMHSVMN-GJZGRUSLSA-N 2 1 356.448 1.123 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420360797 680435927 /nfs/dbraw/zinc/43/59/27/680435927.db2.gz HLSWIAMDBWQQRZ-PSTGCABASA-N 2 1 350.419 1.908 20 5 FDBDMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000430953124 681101423 /nfs/dbraw/zinc/10/14/23/681101423.db2.gz GCZKMYVVNRPDQF-GFCCVEGCSA-N 2 1 350.419 1.862 20 5 FDBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000470008042 684998896 /nfs/dbraw/zinc/99/88/96/684998896.db2.gz HPLNAXNVXTZXOB-ZDUSSCGKSA-N 2 1 350.419 1.280 20 5 FDBDMP O=C([C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)N1CC[NH2+]CC1 ZINC000430652899 778030105 /nfs/dbraw/zinc/03/01/05/778030105.db2.gz YBEZWEQUUDPKAZ-CYBMUJFWSA-N 2 1 373.413 1.380 20 5 FDBDMP O=C([C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)N1CC[NH2+]CC1 ZINC000430652899 778030116 /nfs/dbraw/zinc/03/01/16/778030116.db2.gz YBEZWEQUUDPKAZ-CYBMUJFWSA-N 2 1 373.413 1.380 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000364656934 785131036 /nfs/dbraw/zinc/13/10/36/785131036.db2.gz LGVMCHNUGCRSEP-VQHPVUNQSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000364656934 785131043 /nfs/dbraw/zinc/13/10/43/785131043.db2.gz LGVMCHNUGCRSEP-VQHPVUNQSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364656934 785131046 /nfs/dbraw/zinc/13/10/46/785131046.db2.gz LGVMCHNUGCRSEP-VQHPVUNQSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364656934 785131050 /nfs/dbraw/zinc/13/10/50/785131050.db2.gz LGVMCHNUGCRSEP-VQHPVUNQSA-N 2 1 361.442 1.751 20 5 FDBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000505744166 816297364 /nfs/dbraw/zinc/29/73/64/816297364.db2.gz OSDPEDSRZFNWHY-HNNXBMFYSA-N 2 1 366.466 1.056 20 5 FDBDMP COc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000729684451 835244536 /nfs/dbraw/zinc/24/45/36/835244536.db2.gz QDVJMGDAZJISNT-UHFFFAOYSA-N 2 1 366.462 1.729 20 5 FDBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000729684606 835296727 /nfs/dbraw/zinc/29/67/27/835296727.db2.gz UGBISMVTCLZEPK-UHFFFAOYSA-N 2 1 364.446 1.483 20 5 FDBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910756 961849420 /nfs/dbraw/zinc/84/94/20/961849420.db2.gz COMSKXSPAPURFS-KRWDZBQOSA-N 2 1 360.458 1.596 20 5 FDBDMP C[N@@H+](CCO)CCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014093 961886394 /nfs/dbraw/zinc/88/63/94/961886394.db2.gz KMHUVPYSAJHRTJ-UHFFFAOYSA-N 2 1 372.416 1.746 20 5 FDBDMP CN(CC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000776592921 967278101 /nfs/dbraw/zinc/27/81/01/967278101.db2.gz CUIRSRNTSKGALE-GOSISDBHSA-N 2 1 350.463 1.586 20 5 FDBDMP Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000855345517 970303922 /nfs/dbraw/zinc/30/39/22/970303922.db2.gz CIGGCGWJUGNNED-ZDUSSCGKSA-N 2 1 351.451 1.487 20 5 FDBDMP Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000855345517 970303926 /nfs/dbraw/zinc/30/39/26/970303926.db2.gz CIGGCGWJUGNNED-ZDUSSCGKSA-N 2 1 351.451 1.487 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855346309 970304326 /nfs/dbraw/zinc/30/43/26/970304326.db2.gz VVMASOWBBQOUBI-XJKSGUPXSA-N 2 1 352.435 1.016 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855346309 970304333 /nfs/dbraw/zinc/30/43/33/970304333.db2.gz VVMASOWBBQOUBI-XJKSGUPXSA-N 2 1 352.435 1.016 20 5 FDBDMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000295521705 988690323 /nfs/dbraw/zinc/69/03/23/988690323.db2.gz QQKYOGFQNIBFEZ-OAHLLOKOSA-N 2 1 373.413 1.357 20 5 FDBDMP COc1ccc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000779654620 1010664932 /nfs/dbraw/zinc/66/49/32/1010664932.db2.gz PITPLKCHAAMUDM-HNNXBMFYSA-N 2 1 352.391 1.711 20 5 FDBDMP COc1ccc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000779654620 1010664942 /nfs/dbraw/zinc/66/49/42/1010664942.db2.gz PITPLKCHAAMUDM-HNNXBMFYSA-N 2 1 352.391 1.711 20 5 FDBDMP O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090015302 172259161 /nfs/dbraw/zinc/25/91/61/172259161.db2.gz DHBJNHXJYQXTDD-ZIAGYGMSSA-N 2 1 368.459 1.090 20 5 FDBDMP O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090015302 172259164 /nfs/dbraw/zinc/25/91/64/172259164.db2.gz DHBJNHXJYQXTDD-ZIAGYGMSSA-N 2 1 368.459 1.090 20 5 FDBDMP CN(CC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000177378344 174125568 /nfs/dbraw/zinc/12/55/68/174125568.db2.gz CSZNWGHDTPMLPZ-UHFFFAOYSA-N 2 1 350.463 1.931 20 5 FDBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184135464 536102750 /nfs/dbraw/zinc/10/27/50/536102750.db2.gz YOXLEWVVFVBCFY-ZDUSSCGKSA-N 2 1 364.450 1.060 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000247489064 537125340 /nfs/dbraw/zinc/12/53/40/537125340.db2.gz KTMUVJZUBFWCQR-WMZOPIPTSA-N 2 1 365.478 1.740 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000247489064 537125344 /nfs/dbraw/zinc/12/53/44/537125344.db2.gz KTMUVJZUBFWCQR-WMZOPIPTSA-N 2 1 365.478 1.740 20 5 FDBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248453427 537184092 /nfs/dbraw/zinc/18/40/92/537184092.db2.gz JZKCXTCAGQWAAC-XHSDSOJGSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248453427 537184094 /nfs/dbraw/zinc/18/40/94/537184094.db2.gz JZKCXTCAGQWAAC-XHSDSOJGSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248453427 537184095 /nfs/dbraw/zinc/18/40/95/537184095.db2.gz JZKCXTCAGQWAAC-XHSDSOJGSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245427486 537658371 /nfs/dbraw/zinc/65/83/71/537658371.db2.gz MBEOQDAIQRWFKC-LESCRADOSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245427486 537658373 /nfs/dbraw/zinc/65/83/73/537658373.db2.gz MBEOQDAIQRWFKC-LESCRADOSA-N 2 1 351.447 1.997 20 5 FDBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245427486 537658377 /nfs/dbraw/zinc/65/83/77/537658377.db2.gz MBEOQDAIQRWFKC-LESCRADOSA-N 2 1 351.447 1.997 20 5 FDBDMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472614589 538671168 /nfs/dbraw/zinc/67/11/68/538671168.db2.gz VYNPDWLGZRACOE-DLBZAZTESA-N 2 1 364.494 1.892 20 5 FDBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000571891156 549793202 /nfs/dbraw/zinc/79/32/02/549793202.db2.gz LIPMJDFTLAXDHB-CABCVRRESA-N 2 1 364.450 1.029 20 5 FDBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000571891160 549793301 /nfs/dbraw/zinc/79/33/01/549793301.db2.gz LIPMJDFTLAXDHB-HUUCEWRRSA-N 2 1 364.450 1.029 20 5 FDBDMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])cc1OC ZINC000574400597 550308707 /nfs/dbraw/zinc/30/87/07/550308707.db2.gz SGNRROOKTKBXTO-CQSZACIVSA-N 2 1 365.430 1.799 20 5 FDBDMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])cc1OC ZINC000574400597 550308709 /nfs/dbraw/zinc/30/87/09/550308709.db2.gz SGNRROOKTKBXTO-CQSZACIVSA-N 2 1 365.430 1.799 20 5 FDBDMP C[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598961834 552951777 /nfs/dbraw/zinc/95/17/77/552951777.db2.gz CKHHNEJPIFOXKN-CYBMUJFWSA-N 2 1 370.475 1.336 20 5 FDBDMP C[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598961834 552951778 /nfs/dbraw/zinc/95/17/78/552951778.db2.gz CKHHNEJPIFOXKN-CYBMUJFWSA-N 2 1 370.475 1.336 20 5 FDBDMP C[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962509 552951841 /nfs/dbraw/zinc/95/18/41/552951841.db2.gz BMNJDFCVJHCLMA-CYBMUJFWSA-N 2 1 370.475 1.336 20 5 FDBDMP C[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962509 552951842 /nfs/dbraw/zinc/95/18/42/552951842.db2.gz BMNJDFCVJHCLMA-CYBMUJFWSA-N 2 1 370.475 1.336 20 5 FDBDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602542128 553602953 /nfs/dbraw/zinc/60/29/53/553602953.db2.gz UEPQRBDVWJENJG-UHFFFAOYSA-N 2 1 374.363 1.867 20 5 FDBDMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430633240 681088048 /nfs/dbraw/zinc/08/80/48/681088048.db2.gz BQUDTDBNZXLYJR-CYBMUJFWSA-N 2 1 350.419 1.863 20 5 FDBDMP CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443071348 682226995 /nfs/dbraw/zinc/22/69/95/682226995.db2.gz MCHYQQHARPTOBS-ZDUSSCGKSA-N 2 1 350.419 1.993 20 5 FDBDMP CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443071348 682227000 /nfs/dbraw/zinc/22/70/00/682227000.db2.gz MCHYQQHARPTOBS-ZDUSSCGKSA-N 2 1 350.419 1.993 20 5 FDBDMP CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443071346 682227053 /nfs/dbraw/zinc/22/70/53/682227053.db2.gz MCHYQQHARPTOBS-CYBMUJFWSA-N 2 1 350.419 1.993 20 5 FDBDMP CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443071346 682227056 /nfs/dbraw/zinc/22/70/56/682227056.db2.gz MCHYQQHARPTOBS-CYBMUJFWSA-N 2 1 350.419 1.993 20 5 FDBDMP [NH3+]CCCOC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430593580 776494530 /nfs/dbraw/zinc/49/45/30/776494530.db2.gz PEACDPSFJJGBFG-KRWDZBQOSA-N 2 1 362.430 1.530 20 5 FDBDMP CN(C)c1nccc(N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000532732198 835373619 /nfs/dbraw/zinc/37/36/19/835373619.db2.gz SVSSOLQFPFPPCH-UHFFFAOYSA-N 2 1 356.430 1.816 20 5 FDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000819218500 943492825 /nfs/dbraw/zinc/49/28/25/943492825.db2.gz HSQWJUWVVALIRX-UXHICEINSA-N 2 1 371.437 1.985 20 5 FDBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000887130333 996957962 /nfs/dbraw/zinc/95/79/62/996957962.db2.gz BNQGODILVVMYQR-QAPCUYQASA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000887130333 996957964 /nfs/dbraw/zinc/95/79/64/996957964.db2.gz BNQGODILVVMYQR-QAPCUYQASA-N 2 1 372.425 1.940 20 5 FDBDMP C[N@@H+]1C[C@@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@]2(C)C1 ZINC000933735190 1005624079 /nfs/dbraw/zinc/62/40/79/1005624079.db2.gz GDPLKONWFUXUJL-ACJLOTCBSA-N 2 1 360.414 1.776 20 5 FDBDMP C[N@H+]1C[C@@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@]2(C)C1 ZINC000933735190 1005624081 /nfs/dbraw/zinc/62/40/81/1005624081.db2.gz GDPLKONWFUXUJL-ACJLOTCBSA-N 2 1 360.414 1.776 20 5 FDBDMP C[NH+]1C[C@@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@]2(C)C1 ZINC000933735190 1005624084 /nfs/dbraw/zinc/62/40/84/1005624084.db2.gz GDPLKONWFUXUJL-ACJLOTCBSA-N 2 1 360.414 1.776 20 5 FDBDMP C[NH+]1C[C@@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@]2(C)C1 ZINC000933735190 1005624086 /nfs/dbraw/zinc/62/40/86/1005624086.db2.gz GDPLKONWFUXUJL-ACJLOTCBSA-N 2 1 360.414 1.776 20 5 FDBDMP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375236691 261294807 /nfs/dbraw/zinc/29/48/07/261294807.db2.gz HZHYSPWGMWIHAE-UHFFFAOYSA-N 2 1 350.467 1.178 20 5 FDBDMP CCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006879353 518389054 /nfs/dbraw/zinc/38/90/54/518389054.db2.gz MFIZEJXJMQZONX-UHFFFAOYSA-N 2 1 370.475 1.337 20 5 FDBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183634232 536019417 /nfs/dbraw/zinc/01/94/17/536019417.db2.gz SBVSUSKPFOSEOI-CQSZACIVSA-N 2 1 364.450 1.870 20 5 FDBDMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246848279 537037963 /nfs/dbraw/zinc/03/79/63/537037963.db2.gz BFNUXFZCUIRKCM-XJKSGUPXSA-N 2 1 370.475 1.193 20 5 FDBDMP Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000469857102 538816739 /nfs/dbraw/zinc/81/67/39/538816739.db2.gz XUQAZSNKOQPASR-DLBZAZTESA-N 2 1 360.458 1.983 20 5 FDBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562986811 546342587 /nfs/dbraw/zinc/34/25/87/546342587.db2.gz CEKMUQPIZKHDNO-ZDUSSCGKSA-N 2 1 366.443 1.799 20 5 FDBDMP CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000596126597 552658168 /nfs/dbraw/zinc/65/81/68/552658168.db2.gz WXHOQTOEHIRPIW-HNNXBMFYSA-N 2 1 361.446 1.298 20 5 FDBDMP CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000596126597 552658169 /nfs/dbraw/zinc/65/81/69/552658169.db2.gz WXHOQTOEHIRPIW-HNNXBMFYSA-N 2 1 361.446 1.298 20 5 FDBDMP Cn1c2cc(NCC[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000596425706 552678066 /nfs/dbraw/zinc/67/80/66/552678066.db2.gz VSVIBCPRLXUUAY-UHFFFAOYSA-N 2 1 364.450 1.081 20 5 FDBDMP Cn1c2cc(NCC[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000596425706 552678068 /nfs/dbraw/zinc/67/80/68/552678068.db2.gz VSVIBCPRLXUUAY-UHFFFAOYSA-N 2 1 364.450 1.081 20 5 FDBDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171656638 672056904 /nfs/dbraw/zinc/05/69/04/672056904.db2.gz BAUZKTFVGKODSP-UHFFFAOYSA-N 2 1 352.410 1.624 20 5 FDBDMP O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420318765 680431204 /nfs/dbraw/zinc/43/12/04/680431204.db2.gz OVPHKAMRNPJMSZ-CYBMUJFWSA-N 2 1 352.460 1.804 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420417884 680442842 /nfs/dbraw/zinc/44/28/42/680442842.db2.gz WOAJQAHFTPUADL-QWHCGFSZSA-N 2 1 350.419 1.849 20 5 FDBDMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000474346100 685393478 /nfs/dbraw/zinc/39/34/78/685393478.db2.gz BJHZRWZXXNKAHK-AWEZNQCLSA-N 2 1 351.403 1.578 20 5 FDBDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000474346100 685393487 /nfs/dbraw/zinc/39/34/87/685393487.db2.gz BJHZRWZXXNKAHK-AWEZNQCLSA-N 2 1 351.403 1.578 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430540153 681080308 /nfs/dbraw/zinc/08/03/08/681080308.db2.gz GLBBGLCIDOSTSF-STQMWFEESA-N 2 1 350.419 1.991 20 5 FDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000379653561 774047079 /nfs/dbraw/zinc/04/70/79/774047079.db2.gz GFVBWVBCFKAYQH-HHXXYDBFSA-N 2 1 373.457 1.795 20 5 FDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000379653561 774047085 /nfs/dbraw/zinc/04/70/85/774047085.db2.gz GFVBWVBCFKAYQH-HHXXYDBFSA-N 2 1 373.457 1.795 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278922391 807238321 /nfs/dbraw/zinc/23/83/21/807238321.db2.gz RSZHAFKUSFUJSS-QGZVFWFLSA-N 2 1 374.445 1.565 20 5 FDBDMP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N[C@@H]2CC[NH+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895741088 822724593 /nfs/dbraw/zinc/72/45/93/822724593.db2.gz YXDSIAXNTRJBFA-AAVRWANBSA-N 2 1 363.466 1.702 20 5 FDBDMP Cc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895741088 822724595 /nfs/dbraw/zinc/72/45/95/822724595.db2.gz YXDSIAXNTRJBFA-AAVRWANBSA-N 2 1 363.466 1.702 20 5 FDBDMP Cc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895741088 822724597 /nfs/dbraw/zinc/72/45/97/822724597.db2.gz YXDSIAXNTRJBFA-AAVRWANBSA-N 2 1 363.466 1.702 20 5 FDBDMP O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000452384531 830631225 /nfs/dbraw/zinc/63/12/25/830631225.db2.gz GHOZGJRVNZVGKP-HNNXBMFYSA-N 2 1 373.413 1.357 20 5 FDBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCC[NH+](CCO)CCO)CC2 ZINC001172898776 961811700 /nfs/dbraw/zinc/81/17/00/961811700.db2.gz JFYHYDSKKUXCNF-KRWDZBQOSA-N 2 1 351.447 1.109 20 5 FDBDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369825749 989217798 /nfs/dbraw/zinc/21/77/98/989217798.db2.gz KJFPZZHLEOSWNV-RYRKJORJSA-N 2 1 365.478 1.739 20 5 FDBDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369825749 989217813 /nfs/dbraw/zinc/21/78/13/989217813.db2.gz KJFPZZHLEOSWNV-RYRKJORJSA-N 2 1 365.478 1.739 20 5 FDBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369825749 989217823 /nfs/dbraw/zinc/21/78/23/989217823.db2.gz KJFPZZHLEOSWNV-RYRKJORJSA-N 2 1 365.478 1.739 20 5 FDBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369825749 989217830 /nfs/dbraw/zinc/21/78/30/989217830.db2.gz KJFPZZHLEOSWNV-RYRKJORJSA-N 2 1 365.478 1.739 20 5 FDBDMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000247511444 537127629 /nfs/dbraw/zinc/12/76/29/537127629.db2.gz MNHKCOTZJSUDPR-SJLPKXTDSA-N 2 1 365.478 1.596 20 5 FDBDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000247511444 537127630 /nfs/dbraw/zinc/12/76/30/537127630.db2.gz MNHKCOTZJSUDPR-SJLPKXTDSA-N 2 1 365.478 1.596 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420346740 538271075 /nfs/dbraw/zinc/27/10/75/538271075.db2.gz XJRFOWWSENNPAI-OKILXGFUSA-N 2 1 353.444 1.300 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420346740 538271085 /nfs/dbraw/zinc/27/10/85/538271085.db2.gz XJRFOWWSENNPAI-OKILXGFUSA-N 2 1 353.444 1.300 20 5 FDBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430560819 538393516 /nfs/dbraw/zinc/39/35/16/538393516.db2.gz XMSBQUYLXLNXTH-ZDUSSCGKSA-N 2 1 350.419 1.752 20 5 FDBDMP CNc1nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000562596724 546190556 /nfs/dbraw/zinc/19/05/56/546190556.db2.gz OTQTXIGERBOGRI-UHFFFAOYSA-N 2 1 371.401 1.431 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000566355933 547728205 /nfs/dbraw/zinc/72/82/05/547728205.db2.gz LYCVKBNKLBKHSB-LBPRGKRZSA-N 2 1 350.419 1.991 20 5 FDBDMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581071602 551049160 /nfs/dbraw/zinc/04/91/60/551049160.db2.gz GWAMOZGAKUDTMO-JKSUJKDBSA-N 2 1 367.446 1.017 20 5 FDBDMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1[NH3+] ZINC000592487881 552000694 /nfs/dbraw/zinc/00/06/94/552000694.db2.gz AELBKEZACGNJNY-OCCSQVGLSA-N 2 1 350.419 1.991 20 5 FDBDMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595904622 552631362 /nfs/dbraw/zinc/63/13/62/552631362.db2.gz IWEBYYVLOIDRGX-WMZOPIPTSA-N 2 1 367.446 1.377 20 5 FDBDMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595904622 552631363 /nfs/dbraw/zinc/63/13/63/552631363.db2.gz IWEBYYVLOIDRGX-WMZOPIPTSA-N 2 1 367.446 1.377 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000596066971 552651831 /nfs/dbraw/zinc/65/18/31/552651831.db2.gz XCGVOGYZOBZYEQ-IRXDYDNUSA-N 2 1 365.430 1.177 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000596066969 552651980 /nfs/dbraw/zinc/65/19/80/552651980.db2.gz XCGVOGYZOBZYEQ-IAGOWNOFSA-N 2 1 365.430 1.177 20 5 FDBDMP C[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598965078 552952133 /nfs/dbraw/zinc/95/21/33/552952133.db2.gz UUYNOKNKVPVPCN-ZDUSSCGKSA-N 2 1 370.475 1.336 20 5 FDBDMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598965078 552952135 /nfs/dbraw/zinc/95/21/35/552952135.db2.gz UUYNOKNKVPVPCN-ZDUSSCGKSA-N 2 1 370.475 1.336 20 5 FDBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967559 553497226 /nfs/dbraw/zinc/49/72/26/553497226.db2.gz KLONVVKHVHFBMF-SUMDDJOVSA-N 2 1 373.457 1.510 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423030394 680772979 /nfs/dbraw/zinc/77/29/79/680772979.db2.gz BUNMTWXSDCYJMK-ZACQAIPSSA-N 2 1 367.471 1.879 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420363761 680436688 /nfs/dbraw/zinc/43/66/88/680436688.db2.gz JRIHELUNPKQSIT-PSTGCABASA-N 2 1 350.419 1.908 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430540751 681080258 /nfs/dbraw/zinc/08/02/58/681080258.db2.gz AMZOSJXPQNJOEA-CHWSQXEVSA-N 2 1 350.419 1.991 20 5 FDBDMP O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479689145 686043066 /nfs/dbraw/zinc/04/30/66/686043066.db2.gz POXAQZQJRGBQNX-UHFFFAOYSA-N 2 1 352.460 1.804 20 5 FDBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430608445 777024637 /nfs/dbraw/zinc/02/46/37/777024637.db2.gz FJZKHROXDAKNNL-AWEZNQCLSA-N 2 1 364.446 1.669 20 5 FDBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420402675 813649601 /nfs/dbraw/zinc/64/96/01/813649601.db2.gz MMSCXFRCCIEOAU-BVGQSLNGSA-N 2 1 373.457 1.876 20 5 FDBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420402675 813649606 /nfs/dbraw/zinc/64/96/06/813649606.db2.gz MMSCXFRCCIEOAU-BVGQSLNGSA-N 2 1 373.457 1.876 20 5 FDBDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000514863234 816018352 /nfs/dbraw/zinc/01/83/52/816018352.db2.gz QOKPSLZCQHTUSX-APWZRJJASA-N 2 1 374.441 1.312 20 5 FDBDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818998323 943378193 /nfs/dbraw/zinc/37/81/93/943378193.db2.gz QKEUVESDOFTBBR-DLBZAZTESA-N 2 1 364.446 1.161 20 5 FDBDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818998323 943378198 /nfs/dbraw/zinc/37/81/98/943378198.db2.gz QKEUVESDOFTBBR-DLBZAZTESA-N 2 1 364.446 1.161 20 5 FDBDMP Cc1nn(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1[N+](=O)[O-] ZINC000124610998 988970649 /nfs/dbraw/zinc/97/06/49/988970649.db2.gz HFEPEXRRSJYKQP-SJPCQFCGSA-N 2 1 362.478 1.608 20 5 FDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cn1 ZINC000877022898 993016840 /nfs/dbraw/zinc/01/68/40/993016840.db2.gz WYVFUEXXXFKRJI-IAGOWNOFSA-N 2 1 361.446 1.411 20 5 FDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cn1 ZINC000877022898 993016845 /nfs/dbraw/zinc/01/68/45/993016845.db2.gz WYVFUEXXXFKRJI-IAGOWNOFSA-N 2 1 361.446 1.411 20 5 FDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cn1 ZINC000877022899 993017146 /nfs/dbraw/zinc/01/71/46/993017146.db2.gz WYVFUEXXXFKRJI-IRXDYDNUSA-N 2 1 361.446 1.411 20 5 FDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cn1 ZINC000877022899 993017158 /nfs/dbraw/zinc/01/71/58/993017158.db2.gz WYVFUEXXXFKRJI-IRXDYDNUSA-N 2 1 361.446 1.411 20 5 FDBDMP CN(CCC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000288576686 1000028902 /nfs/dbraw/zinc/02/89/02/1000028902.db2.gz BDBKDIDIIKEJAW-MRXNPFEDSA-N 2 1 368.478 1.150 20 5 FDBDMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000564989467 547148860 /nfs/dbraw/zinc/14/88/60/547148860.db2.gz MJUGALRQZBFRGO-AWEZNQCLSA-N 2 1 362.430 1.611 20 5 FDBDMP NC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c([N+](=O)[O-])c1 ZINC000593736087 552187271 /nfs/dbraw/zinc/18/72/71/552187271.db2.gz FPLJZYJCHICZCI-ZOBUZTSGSA-N 2 1 362.430 1.412 20 5 FDBDMP CCO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C[NH3+] ZINC000593737168 552187697 /nfs/dbraw/zinc/18/76/97/552187697.db2.gz RHNKMMRCEVZUKP-CZUORRHYSA-N 2 1 350.419 1.527 20 5 FDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)nc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000596091375 552654213 /nfs/dbraw/zinc/65/42/13/552654213.db2.gz JEKPLCMDOODKPZ-KGLIPLIRSA-N 2 1 372.473 2.287 20 5 FDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[NH+](C3CC3)C2)nc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596091375 552654214 /nfs/dbraw/zinc/65/42/14/552654214.db2.gz JEKPLCMDOODKPZ-KGLIPLIRSA-N 2 1 372.473 2.287 20 5 FDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[NH+](C3CC3)C2)nc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000596091375 552654216 /nfs/dbraw/zinc/65/42/16/552654216.db2.gz JEKPLCMDOODKPZ-KGLIPLIRSA-N 2 1 372.473 2.287 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335177 553378430 /nfs/dbraw/zinc/37/84/30/553378430.db2.gz RDYWYWBJUIRCOF-UKRRQHHQSA-N 2 1 360.414 1.967 20 5 FDBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335177 553378432 /nfs/dbraw/zinc/37/84/32/553378432.db2.gz RDYWYWBJUIRCOF-UKRRQHHQSA-N 2 1 360.414 1.967 20 5 FDBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967556 553496966 /nfs/dbraw/zinc/49/69/66/553496966.db2.gz KLONVVKHVHFBMF-AYBZRNKSSA-N 2 1 373.457 1.510 20 5 FDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000602796490 553640600 /nfs/dbraw/zinc/64/06/00/553640600.db2.gz PFMHTNVJVFMUDW-UHFFFAOYSA-N 2 1 364.494 1.590 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423030393 680772995 /nfs/dbraw/zinc/77/29/95/680772995.db2.gz BUNMTWXSDCYJMK-GVDBMIGSSA-N 2 1 367.471 1.879 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420419234 680443569 /nfs/dbraw/zinc/44/35/69/680443569.db2.gz XKEIEBTZBZOLAC-OLZOCXBDSA-N 2 1 350.419 1.849 20 5 FDBDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000364348090 784977211 /nfs/dbraw/zinc/97/72/11/784977211.db2.gz QDVKIWPZJVQKBA-PVAVHDDUSA-N 2 1 364.446 1.236 20 5 FDBDMP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000420331705 813620290 /nfs/dbraw/zinc/62/02/90/813620290.db2.gz IWYGKSGDKYDBRX-OKILXGFUSA-N 2 1 362.430 1.863 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000422561456 814828500 /nfs/dbraw/zinc/82/85/00/814828500.db2.gz LHNLMFJLSNQHLK-GUTXKFCHSA-N 2 1 365.430 1.952 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000422561456 814828501 /nfs/dbraw/zinc/82/85/01/814828501.db2.gz LHNLMFJLSNQHLK-GUTXKFCHSA-N 2 1 365.430 1.952 20 5 FDBDMP Cn1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000491168573 862348400 /nfs/dbraw/zinc/34/84/00/862348400.db2.gz SLLDBBWWYPIXKT-GOSISDBHSA-N 2 1 370.457 1.475 20 5 FDBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000819218873 943493087 /nfs/dbraw/zinc/49/30/87/943493087.db2.gz MBECWMLZRBKSJJ-VQTJNVASSA-N 2 1 371.437 1.985 20 5 FDBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000866258461 975513475 /nfs/dbraw/zinc/51/34/75/975513475.db2.gz SPHNTPHEVWODQY-CYBMUJFWSA-N 2 1 352.410 1.419 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000360928089 988213804 /nfs/dbraw/zinc/21/38/04/988213804.db2.gz QVZZOQKPFPURRP-SKWUIDRYSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000360928089 988213814 /nfs/dbraw/zinc/21/38/14/988213814.db2.gz QVZZOQKPFPURRP-SKWUIDRYSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000360928089 988213827 /nfs/dbraw/zinc/21/38/27/988213827.db2.gz QVZZOQKPFPURRP-SKWUIDRYSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000360928089 988213845 /nfs/dbraw/zinc/21/38/45/988213845.db2.gz QVZZOQKPFPURRP-SKWUIDRYSA-N 2 1 361.442 1.751 20 5 FDBDMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000878678849 994110418 /nfs/dbraw/zinc/11/04/18/994110418.db2.gz MGXQRRRTLXNZIG-INIZCTEOSA-N 2 1 360.458 1.985 20 5 FDBDMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000878678849 994110428 /nfs/dbraw/zinc/11/04/28/994110428.db2.gz MGXQRRRTLXNZIG-INIZCTEOSA-N 2 1 360.458 1.985 20 5 FDBDMP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576427 995031034 /nfs/dbraw/zinc/03/10/34/995031034.db2.gz UYNFVIFLEFJWOL-CZUORRHYSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576427 995031050 /nfs/dbraw/zinc/03/10/50/995031050.db2.gz UYNFVIFLEFJWOL-CZUORRHYSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576427 995031064 /nfs/dbraw/zinc/03/10/64/995031064.db2.gz UYNFVIFLEFJWOL-CZUORRHYSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576427 995031084 /nfs/dbraw/zinc/03/10/84/995031084.db2.gz UYNFVIFLEFJWOL-CZUORRHYSA-N 2 1 362.430 1.958 20 5 FDBDMP CN(CC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000089269131 172240673 /nfs/dbraw/zinc/24/06/73/172240673.db2.gz RVMRKOJNXDAPFL-UHFFFAOYSA-N 2 1 350.463 1.931 20 5 FDBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000178667857 258331682 /nfs/dbraw/zinc/33/16/82/258331682.db2.gz MAVIVKLWBFNQAV-QGZVFWFLSA-N 2 1 360.458 1.670 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000114199058 524759857 /nfs/dbraw/zinc/75/98/57/524759857.db2.gz FIFFUBVBTPPMIC-CYBMUJFWSA-N 2 1 350.419 1.816 20 5 FDBDMP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(CCc2ccccn2)CC1 ZINC000177256073 525262467 /nfs/dbraw/zinc/26/24/67/525262467.db2.gz MTBMRRRIGRGNST-UHFFFAOYSA-N 2 1 358.446 1.825 20 5 FDBDMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000109147081 526082142 /nfs/dbraw/zinc/08/21/42/526082142.db2.gz SNMFXWMUVGWMBD-XJKSGUPXSA-N 2 1 355.398 1.810 20 5 FDBDMP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362482661 537597694 /nfs/dbraw/zinc/59/76/94/537597694.db2.gz GFQLLHYMAIBOLF-OALUTQOASA-N 2 1 362.474 1.729 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420342877 538269394 /nfs/dbraw/zinc/26/93/94/538269394.db2.gz QJILAMHINJTEPE-KGLIPLIRSA-N 2 1 362.430 1.863 20 5 FDBDMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000580217304 550956300 /nfs/dbraw/zinc/95/63/00/550956300.db2.gz ZWJZLUZSGJINQY-LSDHHAIUSA-N 2 1 371.397 1.036 20 5 FDBDMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000580217304 550956302 /nfs/dbraw/zinc/95/63/02/550956302.db2.gz ZWJZLUZSGJINQY-LSDHHAIUSA-N 2 1 371.397 1.036 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000595010295 552436792 /nfs/dbraw/zinc/43/67/92/552436792.db2.gz GLKRMLYJNMXSDN-CYBMUJFWSA-N 2 1 350.419 1.418 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000596211885 552665290 /nfs/dbraw/zinc/66/52/90/552665290.db2.gz YJMRHWJCSIYNIU-AWEZNQCLSA-N 2 1 351.451 1.666 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000596211885 552665292 /nfs/dbraw/zinc/66/52/92/552665292.db2.gz YJMRHWJCSIYNIU-AWEZNQCLSA-N 2 1 351.451 1.666 20 5 FDBDMP O=[N+]([O-])c1c(N[C@@H]2CC[NH+](C3CC3)C2)ncnc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000603279145 553752024 /nfs/dbraw/zinc/75/20/24/553752024.db2.gz NOAISZUSWNTTRA-CHWSQXEVSA-N 2 1 373.461 1.682 20 5 FDBDMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422933538 680766250 /nfs/dbraw/zinc/76/62/50/680766250.db2.gz HZOXMIMCYMBBTC-HUUCEWRRSA-N 2 1 356.448 1.123 20 5 FDBDMP O=C([C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000430667476 681090228 /nfs/dbraw/zinc/09/02/28/681090228.db2.gz QBFZVOGKWWNYNU-CYBMUJFWSA-N 2 1 350.394 1.378 20 5 FDBDMP O=C([C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000430667476 681090229 /nfs/dbraw/zinc/09/02/29/681090229.db2.gz QBFZVOGKWWNYNU-CYBMUJFWSA-N 2 1 350.394 1.378 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430964407 681101993 /nfs/dbraw/zinc/10/19/93/681101993.db2.gz DZFLFHRZEMERQL-NEPJUHHUSA-N 2 1 350.419 1.990 20 5 FDBDMP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443065978 682226078 /nfs/dbraw/zinc/22/60/78/682226078.db2.gz DCGAAKZBEOOREC-OLZOCXBDSA-N 2 1 350.419 1.991 20 5 FDBDMP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443065977 682226146 /nfs/dbraw/zinc/22/61/46/682226146.db2.gz DCGAAKZBEOOREC-CHWSQXEVSA-N 2 1 350.419 1.991 20 5 FDBDMP [NH3+]CCCOC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000430553623 775904142 /nfs/dbraw/zinc/90/41/42/775904142.db2.gz DNKVXUGAKIZIAN-UHFFFAOYSA-N 2 1 361.402 1.975 20 5 FDBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000525658728 828680239 /nfs/dbraw/zinc/68/02/39/828680239.db2.gz MUGLIDSTCSGTGE-UHFFFAOYSA-N 2 1 355.398 1.923 20 5 FDBDMP C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)[C@@H]2C1 ZINC000451612694 830409577 /nfs/dbraw/zinc/40/95/77/830409577.db2.gz MMUYZMMFLAAPOS-IAGOWNOFSA-N 2 1 371.397 1.326 20 5 FDBDMP CN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)[C@@H]2C1 ZINC000451612694 830409580 /nfs/dbraw/zinc/40/95/80/830409580.db2.gz MMUYZMMFLAAPOS-IAGOWNOFSA-N 2 1 371.397 1.326 20 5 FDBDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818998049 943378012 /nfs/dbraw/zinc/37/80/12/943378012.db2.gz OZPQOKUQBIQIGC-SJORKVTESA-N 2 1 364.446 1.161 20 5 FDBDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818998049 943378018 /nfs/dbraw/zinc/37/80/18/943378018.db2.gz OZPQOKUQBIQIGC-SJORKVTESA-N 2 1 364.446 1.161 20 5 FDBDMP COC(=O)c1cnc(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000365094510 990019139 /nfs/dbraw/zinc/01/91/39/990019139.db2.gz WNWDNVRRNCHNRH-ZDUSSCGKSA-N 2 1 363.418 1.357 20 5 FDBDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000879578028 995035245 /nfs/dbraw/zinc/03/52/45/995035245.db2.gz POTUDCDSJWDCRW-HIFRSBDPSA-N 2 1 360.414 1.919 20 5 FDBDMP C[N@H+]1CC[C@@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000879578028 995035256 /nfs/dbraw/zinc/03/52/56/995035256.db2.gz POTUDCDSJWDCRW-HIFRSBDPSA-N 2 1 360.414 1.919 20 5 FDBDMP C[NH+]1CC[C@@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000879578028 995035268 /nfs/dbraw/zinc/03/52/68/995035268.db2.gz POTUDCDSJWDCRW-HIFRSBDPSA-N 2 1 360.414 1.919 20 5 FDBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000879578028 995035279 /nfs/dbraw/zinc/03/52/79/995035279.db2.gz POTUDCDSJWDCRW-HIFRSBDPSA-N 2 1 360.414 1.919 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171658874 258267724 /nfs/dbraw/zinc/26/77/24/258267724.db2.gz AFKJFGAAIHNOIU-UHFFFAOYSA-N 2 1 364.446 1.493 20 5 FDBDMP Cc1cc(NC[C@](C)(O)C[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302211209 259040037 /nfs/dbraw/zinc/04/00/37/259040037.db2.gz YPKCUYICDBNKHN-SFHVURJKSA-N 2 1 360.414 1.947 20 5 FDBDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000109147086 526081807 /nfs/dbraw/zinc/08/18/07/526081807.db2.gz SNMFXWMUVGWMBD-CJNGLKHVSA-N 2 1 355.398 1.810 20 5 FDBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000263708546 537074060 /nfs/dbraw/zinc/07/40/60/537074060.db2.gz QAPRFRFJRQBORR-ZDUSSCGKSA-N 2 1 352.439 1.114 20 5 FDBDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000263708546 537074064 /nfs/dbraw/zinc/07/40/64/537074064.db2.gz QAPRFRFJRQBORR-ZDUSSCGKSA-N 2 1 352.439 1.114 20 5 FDBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000263708546 537074066 /nfs/dbraw/zinc/07/40/66/537074066.db2.gz QAPRFRFJRQBORR-ZDUSSCGKSA-N 2 1 352.439 1.114 20 5 FDBDMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247573658 537136587 /nfs/dbraw/zinc/13/65/87/537136587.db2.gz SACQALQOVPXZLZ-NVXWUHKLSA-N 2 1 351.447 1.998 20 5 FDBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247573658 537136590 /nfs/dbraw/zinc/13/65/90/537136590.db2.gz SACQALQOVPXZLZ-NVXWUHKLSA-N 2 1 351.447 1.998 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000490087882 538847159 /nfs/dbraw/zinc/84/71/59/538847159.db2.gz OKEBORCUOCVQKE-AWEZNQCLSA-N 2 1 351.403 1.850 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000490087882 538847164 /nfs/dbraw/zinc/84/71/64/538847164.db2.gz OKEBORCUOCVQKE-AWEZNQCLSA-N 2 1 351.403 1.850 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000575869329 550485144 /nfs/dbraw/zinc/48/51/44/550485144.db2.gz PQYNFDWOULCZNU-HUUCEWRRSA-N 2 1 367.471 1.690 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000575869329 550485145 /nfs/dbraw/zinc/48/51/45/550485145.db2.gz PQYNFDWOULCZNU-HUUCEWRRSA-N 2 1 367.471 1.690 20 5 FDBDMP COc1ccc(OCC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000592184020 551955021 /nfs/dbraw/zinc/95/50/21/551955021.db2.gz XJPOSXXEIWLEBY-UHFFFAOYSA-N 2 1 365.430 1.779 20 5 FDBDMP COc1ccc(OCC[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000592184020 551955022 /nfs/dbraw/zinc/95/50/22/551955022.db2.gz XJPOSXXEIWLEBY-UHFFFAOYSA-N 2 1 365.430 1.779 20 5 FDBDMP CCO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593736537 552187076 /nfs/dbraw/zinc/18/70/76/552187076.db2.gz ANCPCSXECXTBGU-MLGOLLRUSA-N 2 1 366.418 1.228 20 5 FDBDMP CCO[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000593737345 552187705 /nfs/dbraw/zinc/18/77/05/552187705.db2.gz XYTBPQNZZYCTQS-CZUORRHYSA-N 2 1 350.419 1.527 20 5 FDBDMP CCOc1cc(CN(C)CC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000602989046 553686994 /nfs/dbraw/zinc/68/69/94/553686994.db2.gz BPCNMCPCVXPPJW-UHFFFAOYSA-N 2 1 350.419 1.199 20 5 FDBDMP Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000604509087 553882785 /nfs/dbraw/zinc/88/27/85/553882785.db2.gz DEBZWDAKVHXOJW-UHFFFAOYSA-N 2 1 373.417 1.275 20 5 FDBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430594589 681084738 /nfs/dbraw/zinc/08/47/38/681084738.db2.gz KZSSIAJURLMPLN-CYBMUJFWSA-N 2 1 350.419 1.752 20 5 FDBDMP O=C(NC[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261910588 774551014 /nfs/dbraw/zinc/55/10/14/774551014.db2.gz SZCLEUHZTMZRAL-AEFFLSMTSA-N 2 1 360.458 1.718 20 5 FDBDMP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000420348164 813608254 /nfs/dbraw/zinc/60/82/54/813608254.db2.gz JXUSDUCZDUTFMP-HUUCEWRRSA-N 2 1 361.446 1.210 20 5 FDBDMP Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000420348164 813608258 /nfs/dbraw/zinc/60/82/58/813608258.db2.gz JXUSDUCZDUTFMP-HUUCEWRRSA-N 2 1 361.446 1.210 20 5 FDBDMP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420337731 813608518 /nfs/dbraw/zinc/60/85/18/813608518.db2.gz KADVFESFJOCQPC-KGLIPLIRSA-N 2 1 362.430 1.863 20 5 FDBDMP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420337731 813608522 /nfs/dbraw/zinc/60/85/22/813608522.db2.gz KADVFESFJOCQPC-KGLIPLIRSA-N 2 1 362.430 1.863 20 5 FDBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000470008302 828810004 /nfs/dbraw/zinc/81/00/04/828810004.db2.gz JWPQDSMTZGEQHO-NSHDSACASA-N 2 1 372.372 1.483 20 5 FDBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000470008302 828810011 /nfs/dbraw/zinc/81/00/11/828810011.db2.gz JWPQDSMTZGEQHO-NSHDSACASA-N 2 1 372.372 1.483 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000459726262 838924044 /nfs/dbraw/zinc/92/40/44/838924044.db2.gz BMBUHGSNLHRRID-CQSZACIVSA-N 2 1 365.430 1.968 20 5 FDBDMP C[NH+](C)CCOCc1ncn2c1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169021912 928244826 /nfs/dbraw/zinc/24/48/26/928244826.db2.gz BBRYGUTXXMIGSD-HZPDHXFCSA-N 2 1 365.478 1.612 20 5 FDBDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049603 928254827 /nfs/dbraw/zinc/25/48/27/928254827.db2.gz WUGNHGOFIQXCHW-INMHGKMJSA-N 2 1 353.463 1.781 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001177328057 963767470 /nfs/dbraw/zinc/76/74/70/963767470.db2.gz FHKGPUFUYZJFMC-CQSZACIVSA-N 2 1 365.430 1.968 20 5 FDBDMP C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000776595814 967349895 /nfs/dbraw/zinc/34/98/95/967349895.db2.gz AYPLAEDWRGWKCM-MNEFBYGVSA-N 2 1 362.474 1.586 20 5 FDBDMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000776595814 967349904 /nfs/dbraw/zinc/34/99/04/967349904.db2.gz AYPLAEDWRGWKCM-MNEFBYGVSA-N 2 1 362.474 1.586 20 5 FDBDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000470980422 994223942 /nfs/dbraw/zinc/22/39/42/994223942.db2.gz YMCAFRLMQNKEMS-SJLPKXTDSA-N 2 1 363.458 1.998 20 5 FDBDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000470980422 994223953 /nfs/dbraw/zinc/22/39/53/994223953.db2.gz YMCAFRLMQNKEMS-SJLPKXTDSA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000470980422 994223967 /nfs/dbraw/zinc/22/39/67/994223967.db2.gz YMCAFRLMQNKEMS-SJLPKXTDSA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000470980422 994223977 /nfs/dbraw/zinc/22/39/77/994223977.db2.gz YMCAFRLMQNKEMS-SJLPKXTDSA-N 2 1 363.458 1.998 20 5 FDBDMP CC(C)[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000162143563 525219424 /nfs/dbraw/zinc/21/94/24/525219424.db2.gz GNPCJYNPKIBHJQ-UHFFFAOYSA-N 2 1 370.475 1.336 20 5 FDBDMP CCOc1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000179419008 525582603 /nfs/dbraw/zinc/58/26/03/525582603.db2.gz AOWQAYILMQRWEQ-CQSZACIVSA-N 2 1 364.446 1.808 20 5 FDBDMP C[C@@H]1C[C@@H](NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000119835269 525880209 /nfs/dbraw/zinc/88/02/09/525880209.db2.gz FCJJMUVMWFNHFJ-CHWSQXEVSA-N 2 1 368.459 1.088 20 5 FDBDMP C[C@@H]1C[C@@H](NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000119835269 525880219 /nfs/dbraw/zinc/88/02/19/525880219.db2.gz FCJJMUVMWFNHFJ-CHWSQXEVSA-N 2 1 368.459 1.088 20 5 FDBDMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181929132 525985770 /nfs/dbraw/zinc/98/57/70/525985770.db2.gz DCMZEPUSDKAEIZ-CVEARBPZSA-N 2 1 351.447 1.998 20 5 FDBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181929132 525985780 /nfs/dbraw/zinc/98/57/80/525985780.db2.gz DCMZEPUSDKAEIZ-CVEARBPZSA-N 2 1 351.447 1.998 20 5 FDBDMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246516689 536971557 /nfs/dbraw/zinc/97/15/57/536971557.db2.gz UIRLBKUPCMLGOE-KBPBESRZSA-N 2 1 370.475 1.193 20 5 FDBDMP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000571756619 549752268 /nfs/dbraw/zinc/75/22/68/549752268.db2.gz XZGFLAPEEBVLNZ-CYBMUJFWSA-N 2 1 353.444 1.609 20 5 FDBDMP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000571756619 549752272 /nfs/dbraw/zinc/75/22/72/549752272.db2.gz XZGFLAPEEBVLNZ-CYBMUJFWSA-N 2 1 353.444 1.609 20 5 FDBDMP Cc1[nH+]ccn1CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580184848 550952176 /nfs/dbraw/zinc/95/21/76/550952176.db2.gz XWECBKZVLYNGED-UHFFFAOYSA-N 2 1 352.416 1.553 20 5 FDBDMP NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c([N+](=O)[O-])c1 ZINC000593729449 552184569 /nfs/dbraw/zinc/18/45/69/552184569.db2.gz FFXQYKTVIGVFSB-UXLLHSPISA-N 2 1 362.430 1.555 20 5 FDBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000596655047 552697554 /nfs/dbraw/zinc/69/75/54/552697554.db2.gz SJMRZKFFHBJALE-JTQLQIEISA-N 2 1 360.374 1.056 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@@H]2CN)c([N+](=O)[O-])c1 ZINC000420294099 680427827 /nfs/dbraw/zinc/42/78/27/680427827.db2.gz SJEKRZPUVBZFPB-WBMJQRKESA-N 2 1 350.419 1.991 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420360800 680436098 /nfs/dbraw/zinc/43/60/98/680436098.db2.gz HLSWIAMDBWQQRZ-XWCIJXRUSA-N 2 1 350.419 1.908 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430540152 681080358 /nfs/dbraw/zinc/08/03/58/681080358.db2.gz GLBBGLCIDOSTSF-QWHCGFSZSA-N 2 1 350.419 1.991 20 5 FDBDMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430935500 681100497 /nfs/dbraw/zinc/10/04/97/681100497.db2.gz UJPOIJDIHNGJTA-GFCCVEGCSA-N 2 1 350.419 1.862 20 5 FDBDMP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443065980 682226131 /nfs/dbraw/zinc/22/61/31/682226131.db2.gz DCGAAKZBEOOREC-STQMWFEESA-N 2 1 350.419 1.991 20 5 FDBDMP O=C([C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CC[NH2+]CC1 ZINC000470002163 684998435 /nfs/dbraw/zinc/99/84/35/684998435.db2.gz HEFDDJXAXFSJNL-CQSZACIVSA-N 2 1 366.849 1.892 20 5 FDBDMP Cc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000875713536 991931185 /nfs/dbraw/zinc/93/11/85/991931185.db2.gz NJKHYARYXTXHOT-HNNXBMFYSA-N 2 1 365.478 1.974 20 5 FDBDMP Cc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000875713536 991931192 /nfs/dbraw/zinc/93/11/92/991931192.db2.gz NJKHYARYXTXHOT-HNNXBMFYSA-N 2 1 365.478 1.974 20 5 FDBDMP COCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC[NH+](C)CC1 ZINC000879125441 994559825 /nfs/dbraw/zinc/55/98/25/994559825.db2.gz CDJFOMMQFPHTTP-SFHVURJKSA-N 2 1 351.447 1.918 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000931441141 1004164757 /nfs/dbraw/zinc/16/47/57/1004164757.db2.gz OLUXUEKZVNHPCR-UONOGXRCSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000931441141 1004164760 /nfs/dbraw/zinc/16/47/60/1004164760.db2.gz OLUXUEKZVNHPCR-UONOGXRCSA-N 2 1 362.430 1.816 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000931441141 1004164766 /nfs/dbraw/zinc/16/47/66/1004164766.db2.gz OLUXUEKZVNHPCR-UONOGXRCSA-N 2 1 362.430 1.816 20 5 FDBDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000507374827 538916226 /nfs/dbraw/zinc/91/62/26/538916226.db2.gz JWHKKAKBAJBKAV-UHFFFAOYSA-N 2 1 352.410 1.624 20 5 FDBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000534135542 540328424 /nfs/dbraw/zinc/32/84/24/540328424.db2.gz JWUWEXHFPISJQK-MRXNPFEDSA-N 2 1 352.435 1.189 20 5 FDBDMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000331717473 259215265 /nfs/dbraw/zinc/21/52/65/259215265.db2.gz HDTXIYZXSMIXPL-HOTGVXAUSA-N 2 1 364.494 1.891 20 5 FDBDMP C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374324471 261110447 /nfs/dbraw/zinc/11/04/47/261110447.db2.gz MHLRKLASDPKIOE-LPHOPBHVSA-N 2 1 362.474 1.931 20 5 FDBDMP C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374324471 261110448 /nfs/dbraw/zinc/11/04/48/261110448.db2.gz MHLRKLASDPKIOE-LPHOPBHVSA-N 2 1 362.474 1.931 20 5 FDBDMP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(CCc2ccncc2)CC1 ZINC000374751930 261188489 /nfs/dbraw/zinc/18/84/89/261188489.db2.gz QNFONFJIIUIGHP-UHFFFAOYSA-N 2 1 358.446 1.825 20 5 FDBDMP CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)n1 ZINC000191793875 537212552 /nfs/dbraw/zinc/21/25/52/537212552.db2.gz ASXVZYPTNQERPY-CQSZACIVSA-N 2 1 366.466 1.299 20 5 FDBDMP Cc1c(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000420397217 538285769 /nfs/dbraw/zinc/28/57/69/538285769.db2.gz FHQGBHSAFDMGSE-SJLPKXTDSA-N 2 1 373.457 1.623 20 5 FDBDMP Cc1c(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000420397217 538285773 /nfs/dbraw/zinc/28/57/73/538285773.db2.gz FHQGBHSAFDMGSE-SJLPKXTDSA-N 2 1 373.457 1.623 20 5 FDBDMP Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000469857107 538817135 /nfs/dbraw/zinc/81/71/35/538817135.db2.gz XUQAZSNKOQPASR-SJORKVTESA-N 2 1 360.458 1.983 20 5 FDBDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000564850544 547066235 /nfs/dbraw/zinc/06/62/35/547066235.db2.gz VPTZGYSIRDSCSW-WBVHZDCISA-N 2 1 351.447 1.902 20 5 FDBDMP COc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000583143662 551309925 /nfs/dbraw/zinc/30/99/25/551309925.db2.gz SLQJXJCVHCANGM-CQSZACIVSA-N 2 1 362.430 1.863 20 5 FDBDMP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCO2 ZINC000592183897 551954625 /nfs/dbraw/zinc/95/46/25/551954625.db2.gz DQEBTDPDZWGZJT-OAHLLOKOSA-N 2 1 365.430 1.131 20 5 FDBDMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCO2 ZINC000592183897 551954627 /nfs/dbraw/zinc/95/46/27/551954627.db2.gz DQEBTDPDZWGZJT-OAHLLOKOSA-N 2 1 365.430 1.131 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000597941920 552848811 /nfs/dbraw/zinc/84/88/11/552848811.db2.gz HAABIRJJJYNALL-LBPRGKRZSA-N 2 1 362.434 1.473 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000597941920 552848812 /nfs/dbraw/zinc/84/88/12/552848812.db2.gz HAABIRJJJYNALL-LBPRGKRZSA-N 2 1 362.434 1.473 20 5 FDBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602810763 553642688 /nfs/dbraw/zinc/64/26/88/553642688.db2.gz IUTXHWHTTVEXPN-GDBMZVCRSA-N 2 1 353.467 1.826 20 5 FDBDMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422983031 680769737 /nfs/dbraw/zinc/76/97/37/680769737.db2.gz SGHBYQSFDMPYIU-OLZOCXBDSA-N 2 1 356.448 1.123 20 5 FDBDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000436059837 681661554 /nfs/dbraw/zinc/66/15/54/681661554.db2.gz LVRWWBPECBBMRV-HNNXBMFYSA-N 2 1 350.419 1.293 20 5 FDBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000360019998 771313069 /nfs/dbraw/zinc/31/30/69/771313069.db2.gz SYZYMJRKRUSZGE-UHFFFAOYSA-N 2 1 365.430 1.133 20 5 FDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000379653560 774046763 /nfs/dbraw/zinc/04/67/63/774046763.db2.gz GFVBWVBCFKAYQH-AYBZRNKSSA-N 2 1 373.457 1.795 20 5 FDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000379653560 774046769 /nfs/dbraw/zinc/04/67/69/774046769.db2.gz GFVBWVBCFKAYQH-AYBZRNKSSA-N 2 1 373.457 1.795 20 5 FDBDMP O=[N+]([O-])c1c(N2CC[NH+]3CCC[C@H]3C2)ccnc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000376225586 786874378 /nfs/dbraw/zinc/87/43/78/786874378.db2.gz DPUAWJQHJAVVRX-JKSUJKDBSA-N 2 1 372.473 1.559 20 5 FDBDMP O=[N+]([O-])c1c(N2CC[N@@H+]3CCC[C@H]3C2)ccnc1N1CC[NH+]2CCC[C@@H]2C1 ZINC000376225586 786874389 /nfs/dbraw/zinc/87/43/89/786874389.db2.gz DPUAWJQHJAVVRX-JKSUJKDBSA-N 2 1 372.473 1.559 20 5 FDBDMP O=[N+]([O-])c1c(N2CC[N@H+]3CCC[C@H]3C2)ccnc1N1CC[NH+]2CCC[C@@H]2C1 ZINC000376225586 786874397 /nfs/dbraw/zinc/87/43/97/786874397.db2.gz DPUAWJQHJAVVRX-JKSUJKDBSA-N 2 1 372.473 1.559 20 5 FDBDMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415146505 791501536 /nfs/dbraw/zinc/50/15/36/791501536.db2.gz YROFBAQDWZQEQS-IRXDYDNUSA-N 2 1 373.457 1.623 20 5 FDBDMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415146505 791501544 /nfs/dbraw/zinc/50/15/44/791501544.db2.gz YROFBAQDWZQEQS-IRXDYDNUSA-N 2 1 373.457 1.623 20 5 FDBDMP Cn1ccnc1[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423189273 814995359 /nfs/dbraw/zinc/99/53/59/814995359.db2.gz QXSGUBBGBRYYIG-KRWDZBQOSA-N 2 1 358.446 1.303 20 5 FDBDMP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420337732 813608383 /nfs/dbraw/zinc/60/83/83/813608383.db2.gz KADVFESFJOCQPC-UONOGXRCSA-N 2 1 362.430 1.863 20 5 FDBDMP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420337732 813608387 /nfs/dbraw/zinc/60/83/87/813608387.db2.gz KADVFESFJOCQPC-UONOGXRCSA-N 2 1 362.430 1.863 20 5 FDBDMP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)[C@H]2C1 ZINC000451612695 830409797 /nfs/dbraw/zinc/40/97/97/830409797.db2.gz MMUYZMMFLAAPOS-IRXDYDNUSA-N 2 1 371.397 1.326 20 5 FDBDMP CN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)[C@H]2C1 ZINC000451612695 830409801 /nfs/dbraw/zinc/40/98/01/830409801.db2.gz MMUYZMMFLAAPOS-IRXDYDNUSA-N 2 1 371.397 1.326 20 5 FDBDMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168978283 928204299 /nfs/dbraw/zinc/20/42/99/928204299.db2.gz QRZXXJMCAYSMLS-UONOGXRCSA-N 2 1 356.467 1.750 20 5 FDBDMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169024001 928247972 /nfs/dbraw/zinc/24/79/72/928247972.db2.gz WPKMOXHYHVYUSP-RDJZCZTQSA-N 2 1 362.474 1.256 20 5 FDBDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818998328 943378346 /nfs/dbraw/zinc/37/83/46/943378346.db2.gz QKEUVESDOFTBBR-IRXDYDNUSA-N 2 1 364.446 1.161 20 5 FDBDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818998328 943378352 /nfs/dbraw/zinc/37/83/52/943378352.db2.gz QKEUVESDOFTBBR-IRXDYDNUSA-N 2 1 364.446 1.161 20 5 FDBDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000863560335 973016898 /nfs/dbraw/zinc/01/68/98/973016898.db2.gz FPDCIUZUOFRTQB-CALCHBBNSA-N 2 1 350.394 1.994 20 5 FDBDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000863560335 973016914 /nfs/dbraw/zinc/01/69/14/973016914.db2.gz FPDCIUZUOFRTQB-CALCHBBNSA-N 2 1 350.394 1.994 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364656935 989703056 /nfs/dbraw/zinc/70/30/56/989703056.db2.gz LGVMCHNUGCRSEP-WCXIOVBPSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000364656935 989703063 /nfs/dbraw/zinc/70/30/63/989703063.db2.gz LGVMCHNUGCRSEP-WCXIOVBPSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000364656935 989703071 /nfs/dbraw/zinc/70/30/71/989703071.db2.gz LGVMCHNUGCRSEP-WCXIOVBPSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364656935 989703077 /nfs/dbraw/zinc/70/30/77/989703077.db2.gz LGVMCHNUGCRSEP-WCXIOVBPSA-N 2 1 361.442 1.751 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364656935 989703087 /nfs/dbraw/zinc/70/30/87/989703087.db2.gz LGVMCHNUGCRSEP-WCXIOVBPSA-N 2 1 361.442 1.751 20 5 FDBDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000470980421 994224314 /nfs/dbraw/zinc/22/43/14/994224314.db2.gz YMCAFRLMQNKEMS-FUHWJXTLSA-N 2 1 363.458 1.998 20 5 FDBDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000470980421 994224322 /nfs/dbraw/zinc/22/43/22/994224322.db2.gz YMCAFRLMQNKEMS-FUHWJXTLSA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000470980421 994224334 /nfs/dbraw/zinc/22/43/34/994224334.db2.gz YMCAFRLMQNKEMS-FUHWJXTLSA-N 2 1 363.458 1.998 20 5 FDBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000470980421 994224349 /nfs/dbraw/zinc/22/43/49/994224349.db2.gz YMCAFRLMQNKEMS-FUHWJXTLSA-N 2 1 363.458 1.998 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574467 995028003 /nfs/dbraw/zinc/02/80/03/995028003.db2.gz ADTNHELCXLHPBU-BBRMVZONSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574467 995028011 /nfs/dbraw/zinc/02/80/11/995028011.db2.gz ADTNHELCXLHPBU-BBRMVZONSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574467 995028019 /nfs/dbraw/zinc/02/80/19/995028019.db2.gz ADTNHELCXLHPBU-BBRMVZONSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574467 995028025 /nfs/dbraw/zinc/02/80/25/995028025.db2.gz ADTNHELCXLHPBU-BBRMVZONSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576429 995031841 /nfs/dbraw/zinc/03/18/41/995031841.db2.gz UYNFVIFLEFJWOL-XJKSGUPXSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576429 995031853 /nfs/dbraw/zinc/03/18/53/995031853.db2.gz UYNFVIFLEFJWOL-XJKSGUPXSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576429 995031866 /nfs/dbraw/zinc/03/18/66/995031866.db2.gz UYNFVIFLEFJWOL-XJKSGUPXSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000879576429 995031876 /nfs/dbraw/zinc/03/18/76/995031876.db2.gz UYNFVIFLEFJWOL-XJKSGUPXSA-N 2 1 362.430 1.958 20 5 FDBDMP CN(CCC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000288576683 1000029047 /nfs/dbraw/zinc/02/90/47/1000029047.db2.gz BDBKDIDIIKEJAW-INIZCTEOSA-N 2 1 368.478 1.150 20 5 FDBDMP C[NH+](C)CC1(O)CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000931487399 1004205433 /nfs/dbraw/zinc/20/54/33/1004205433.db2.gz YZTMMDYZYOFLJQ-UHFFFAOYSA-N 2 1 351.403 1.350 20 5 FDBDMP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000375000344 261244741 /nfs/dbraw/zinc/24/47/41/261244741.db2.gz WBVODFFRKJJQIC-UHFFFAOYSA-N 2 1 365.430 1.133 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000247489061 537123951 /nfs/dbraw/zinc/12/39/51/537123951.db2.gz KTMUVJZUBFWCQR-FUHWJXTLSA-N 2 1 365.478 1.740 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000247489061 537123955 /nfs/dbraw/zinc/12/39/55/537123955.db2.gz KTMUVJZUBFWCQR-FUHWJXTLSA-N 2 1 365.478 1.740 20 5 FDBDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000247511431 537127920 /nfs/dbraw/zinc/12/79/20/537127920.db2.gz MNHKCOTZJSUDPR-FUHWJXTLSA-N 2 1 365.478 1.596 20 5 FDBDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000247511431 537127925 /nfs/dbraw/zinc/12/79/25/537127925.db2.gz MNHKCOTZJSUDPR-FUHWJXTLSA-N 2 1 365.478 1.596 20 5 FDBDMP CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248437785 537181850 /nfs/dbraw/zinc/18/18/50/537181850.db2.gz BMVLXJAJZJTARX-HZPDHXFCSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248437785 537181852 /nfs/dbraw/zinc/18/18/52/537181852.db2.gz BMVLXJAJZJTARX-HZPDHXFCSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248437785 537181855 /nfs/dbraw/zinc/18/18/55/537181855.db2.gz BMVLXJAJZJTARX-HZPDHXFCSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248437785 537181858 /nfs/dbraw/zinc/18/18/58/537181858.db2.gz BMVLXJAJZJTARX-HZPDHXFCSA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248437785 537181859 /nfs/dbraw/zinc/18/18/59/537181859.db2.gz BMVLXJAJZJTARX-HZPDHXFCSA-N 2 1 351.447 1.998 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000414962294 537944729 /nfs/dbraw/zinc/94/47/29/537944729.db2.gz CEFDPFOBPRDRKD-OAHLLOKOSA-N 2 1 351.403 1.624 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415138770 537958609 /nfs/dbraw/zinc/95/86/09/537958609.db2.gz KODYKCOIAGATFK-MSOLQXFVSA-N 2 1 373.457 1.623 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415138770 537958613 /nfs/dbraw/zinc/95/86/13/537958613.db2.gz KODYKCOIAGATFK-MSOLQXFVSA-N 2 1 373.457 1.623 20 5 FDBDMP CCc1n[nH]c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000444156350 538122257 /nfs/dbraw/zinc/12/22/57/538122257.db2.gz NWXLZBPOMZGGBW-ZDUSSCGKSA-N 2 1 366.466 1.368 20 5 FDBDMP CCc1[nH]nc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000444156350 538122262 /nfs/dbraw/zinc/12/22/62/538122262.db2.gz NWXLZBPOMZGGBW-ZDUSSCGKSA-N 2 1 366.466 1.368 20 5 FDBDMP CCc1[nH]nc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000444156350 538122271 /nfs/dbraw/zinc/12/22/71/538122271.db2.gz NWXLZBPOMZGGBW-ZDUSSCGKSA-N 2 1 366.466 1.368 20 5 FDBDMP CC1CC[NH+](C[C@@H](O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000582003370 551162003 /nfs/dbraw/zinc/16/20/03/551162003.db2.gz HFSCTIZEKFRGMV-HNNXBMFYSA-N 2 1 364.446 1.606 20 5 FDBDMP COC(=O)COc1ccc(CNC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994380 552955572 /nfs/dbraw/zinc/95/55/72/552955572.db2.gz LQRQQIOXJRTCFU-HNNXBMFYSA-N 2 1 365.430 1.968 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994380 552955573 /nfs/dbraw/zinc/95/55/73/552955573.db2.gz LQRQQIOXJRTCFU-HNNXBMFYSA-N 2 1 365.430 1.968 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994380 552955574 /nfs/dbraw/zinc/95/55/74/552955574.db2.gz LQRQQIOXJRTCFU-HNNXBMFYSA-N 2 1 365.430 1.968 20 5 FDBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000602891693 553662386 /nfs/dbraw/zinc/66/23/86/553662386.db2.gz NRKKQDGCOIHCIQ-GOSISDBHSA-N 2 1 364.446 1.620 20 5 FDBDMP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000602891693 553662388 /nfs/dbraw/zinc/66/23/88/553662388.db2.gz NRKKQDGCOIHCIQ-GOSISDBHSA-N 2 1 364.446 1.620 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261992527 672707985 /nfs/dbraw/zinc/70/79/85/672707985.db2.gz SOCBETWJPXPKIM-ZDUSSCGKSA-N 2 1 351.403 1.707 20 5 FDBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC[NH+]2CCC(O)CC2)n1 ZINC000472604681 685227446 /nfs/dbraw/zinc/22/74/46/685227446.db2.gz BORRFHZCNRMKIW-CVEARBPZSA-N 2 1 351.451 1.711 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311822658 790360358 /nfs/dbraw/zinc/36/03/58/790360358.db2.gz QPMCGPYZKYUCIZ-SJLPKXTDSA-N 2 1 359.430 1.264 20 5 FDBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000919860734 886296735 /nfs/dbraw/zinc/29/67/35/886296735.db2.gz GJKVKVSIMZWPKH-UHFFFAOYSA-N 2 1 356.386 1.576 20 5 FDBDMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169029013 928228028 /nfs/dbraw/zinc/22/80/28/928228028.db2.gz TVXTXKXZWMPMID-HOTGVXAUSA-N 2 1 374.489 1.074 20 5 FDBDMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169029013 928228043 /nfs/dbraw/zinc/22/80/43/928228043.db2.gz TVXTXKXZWMPMID-HOTGVXAUSA-N 2 1 374.489 1.074 20 5 FDBDMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819062287 943426411 /nfs/dbraw/zinc/42/64/11/943426411.db2.gz PGRPCJDNUXPHEP-GOSISDBHSA-N 2 1 350.463 1.636 20 5 FDBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000819218875 943492910 /nfs/dbraw/zinc/49/29/10/943492910.db2.gz MBECWMLZRBKSJJ-WOJBJXKFSA-N 2 1 371.437 1.985 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001146981774 952266288 /nfs/dbraw/zinc/26/62/88/952266288.db2.gz GJLQSZGBGSJKPV-NSHDSACASA-N 2 1 371.869 1.832 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001146981774 952266292 /nfs/dbraw/zinc/26/62/92/952266292.db2.gz GJLQSZGBGSJKPV-NSHDSACASA-N 2 1 371.869 1.832 20 5 FDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000855346366 970305893 /nfs/dbraw/zinc/30/58/93/970305893.db2.gz YSGIXNDCFQCXBJ-AWEZNQCLSA-N 2 1 365.478 1.663 20 5 FDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000855346366 970305902 /nfs/dbraw/zinc/30/59/02/970305902.db2.gz YSGIXNDCFQCXBJ-AWEZNQCLSA-N 2 1 365.478 1.663 20 5 FDBDMP C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362704924 988709955 /nfs/dbraw/zinc/70/99/55/988709955.db2.gz VUFWKVKQDCPQSQ-IRXDYDNUSA-N 2 1 362.474 1.931 20 5 FDBDMP C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362704924 988709961 /nfs/dbraw/zinc/70/99/61/988709961.db2.gz VUFWKVKQDCPQSQ-IRXDYDNUSA-N 2 1 362.474 1.931 20 5 FDBDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877008091 993006374 /nfs/dbraw/zinc/00/63/74/993006374.db2.gz FTPPCKAOCPGQQN-UHFFFAOYSA-N 2 1 364.450 1.027 20 5 FDBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000887130332 996958251 /nfs/dbraw/zinc/95/82/51/996958251.db2.gz BNQGODILVVMYQR-MAUKXSAKSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000887130332 996958254 /nfs/dbraw/zinc/95/82/54/996958254.db2.gz BNQGODILVVMYQR-MAUKXSAKSA-N 2 1 372.425 1.940 20 5 FDBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289473387 1000101504 /nfs/dbraw/zinc/10/15/04/1000101504.db2.gz RFBQANUQXPAYPF-OAHLLOKOSA-N 2 1 365.478 1.737 20 5 FDBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289473387 1000101506 /nfs/dbraw/zinc/10/15/06/1000101506.db2.gz RFBQANUQXPAYPF-OAHLLOKOSA-N 2 1 365.478 1.737 20 5 FDBDMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269310974 180271282 /nfs/dbraw/zinc/27/12/82/180271282.db2.gz YOFXDPFZCGNPHB-UHFFFAOYSA-N 2 1 352.435 1.646 20 5 FDBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000369266148 260325856 /nfs/dbraw/zinc/32/58/56/260325856.db2.gz ALFLMZFTLWCVOE-UHFFFAOYSA-N 2 1 365.430 1.133 20 5 FDBDMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000162408820 525256501 /nfs/dbraw/zinc/25/65/01/525256501.db2.gz IAEWAKUMPXBWOZ-INIZCTEOSA-N 2 1 362.430 1.212 20 5 FDBDMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248440588 537182072 /nfs/dbraw/zinc/18/20/72/537182072.db2.gz DCMZEPUSDKAEIZ-HZPDHXFCSA-N 2 1 351.447 1.998 20 5 FDBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248440588 537182074 /nfs/dbraw/zinc/18/20/74/537182074.db2.gz DCMZEPUSDKAEIZ-HZPDHXFCSA-N 2 1 351.447 1.998 20 5 FDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420353172 538273822 /nfs/dbraw/zinc/27/38/22/538273822.db2.gz ZZWIDVBMNIKMQQ-MRXNPFEDSA-N 2 1 361.446 1.211 20 5 FDBDMP O=C1N[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420397458 538285415 /nfs/dbraw/zinc/28/54/15/538285415.db2.gz FMMPYLLLQLWILG-ROUUACIJSA-N 2 1 373.457 1.357 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000571605032 549704296 /nfs/dbraw/zinc/70/42/96/549704296.db2.gz QHOCTEFFBQVJPU-GOSISDBHSA-N 2 1 359.430 1.190 20 5 FDBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000571605032 549704300 /nfs/dbraw/zinc/70/43/00/549704300.db2.gz QHOCTEFFBQVJPU-GOSISDBHSA-N 2 1 359.430 1.190 20 5 FDBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593739249 552188233 /nfs/dbraw/zinc/18/82/33/552188233.db2.gz ZKXGGRZYZOZRJI-JJRVBVJISA-N 2 1 362.430 1.752 20 5 FDBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593739249 552188235 /nfs/dbraw/zinc/18/82/35/552188235.db2.gz ZKXGGRZYZOZRJI-JJRVBVJISA-N 2 1 362.430 1.752 20 5 FDBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000596066973 552651874 /nfs/dbraw/zinc/65/18/74/552651874.db2.gz XCGVOGYZOBZYEQ-SJORKVTESA-N 2 1 365.430 1.177 20 5 FDBDMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422949774 680767639 /nfs/dbraw/zinc/76/76/39/680767639.db2.gz WIPJZXYPMHSVMN-CABCVRRESA-N 2 1 356.448 1.123 20 5 FDBDMP COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420419237 680443627 /nfs/dbraw/zinc/44/36/27/680443627.db2.gz XKEIEBTZBZOLAC-QWHCGFSZSA-N 2 1 350.419 1.849 20 5 FDBDMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430935501 681100426 /nfs/dbraw/zinc/10/04/26/681100426.db2.gz UJPOIJDIHNGJTA-LBPRGKRZSA-N 2 1 350.419 1.862 20 5 FDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC[NH+]2CCC(O)CC2)n1 ZINC000472604684 685227560 /nfs/dbraw/zinc/22/75/60/685227560.db2.gz BORRFHZCNRMKIW-HZPDHXFCSA-N 2 1 351.451 1.711 20 5 FDBDMP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511877320 801557198 /nfs/dbraw/zinc/55/71/98/801557198.db2.gz ZKKKFUNCOKGDSF-UHFFFAOYSA-N 2 1 372.473 1.541 20 5 FDBDMP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC[C@@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000420363663 813628195 /nfs/dbraw/zinc/62/81/95/813628195.db2.gz BSEPEGOCQYVGDQ-AWEZNQCLSA-N 2 1 358.446 1.983 20 5 FDBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000505744167 816297774 /nfs/dbraw/zinc/29/77/74/816297774.db2.gz OSDPEDSRZFNWHY-OAHLLOKOSA-N 2 1 366.466 1.056 20 5 FDBDMP Cn1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000491168574 862348926 /nfs/dbraw/zinc/34/89/26/862348926.db2.gz SLLDBBWWYPIXKT-SFHVURJKSA-N 2 1 370.457 1.475 20 5 FDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cn1 ZINC000877022897 993017318 /nfs/dbraw/zinc/01/73/18/993017318.db2.gz WYVFUEXXXFKRJI-DLBZAZTESA-N 2 1 361.446 1.411 20 5 FDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cn1 ZINC000877022897 993017327 /nfs/dbraw/zinc/01/73/27/993017327.db2.gz WYVFUEXXXFKRJI-DLBZAZTESA-N 2 1 361.446 1.411 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000530388653 539959902 /nfs/dbraw/zinc/95/99/02/539959902.db2.gz RFPQDRSBZCGIAS-AWEZNQCLSA-N 2 1 351.403 1.578 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000530388653 539959904 /nfs/dbraw/zinc/95/99/04/539959904.db2.gz RFPQDRSBZCGIAS-AWEZNQCLSA-N 2 1 351.403 1.578 20 5 FDBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015457 172258712 /nfs/dbraw/zinc/25/87/12/172258712.db2.gz JAWMVKOXCBFNAP-MGPQQGTHSA-N 2 1 370.475 1.191 20 5 FDBDMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246848262 537037988 /nfs/dbraw/zinc/03/79/88/537037988.db2.gz BFNUXFZCUIRKCM-BBRMVZONSA-N 2 1 370.475 1.193 20 5 FDBDMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472614591 538672031 /nfs/dbraw/zinc/67/20/31/538672031.db2.gz VYNPDWLGZRACOE-IAGOWNOFSA-N 2 1 364.494 1.892 20 5 FDBDMP C[NH+]1CCN(c2ncc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000571309579 549600950 /nfs/dbraw/zinc/60/09/50/549600950.db2.gz FFLYQETUZQZINV-UHFFFAOYSA-N 2 1 371.445 1.102 20 5 FDBDMP COCC[N@@H+](C)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602512628 553596219 /nfs/dbraw/zinc/59/62/19/553596219.db2.gz WSEGBBDHRIYHMH-UHFFFAOYSA-N 2 1 351.451 1.517 20 5 FDBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847981 553649713 /nfs/dbraw/zinc/64/97/13/553649713.db2.gz WXJVZZHCOGHCIM-KRWDZBQOSA-N 2 1 372.425 1.942 20 5 FDBDMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422933536 680766213 /nfs/dbraw/zinc/76/62/13/680766213.db2.gz HZOXMIMCYMBBTC-CABCVRRESA-N 2 1 356.448 1.123 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423030391 680773021 /nfs/dbraw/zinc/77/30/21/680773021.db2.gz BUNMTWXSDCYJMK-BBWFWOEESA-N 2 1 367.471 1.879 20 5 FDBDMP COC(=O)COc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414898287 679373330 /nfs/dbraw/zinc/37/33/30/679373330.db2.gz BCUOPHYETFSASB-KRWDZBQOSA-N 2 1 351.403 1.626 20 5 FDBDMP O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000430640501 681088876 /nfs/dbraw/zinc/08/88/76/681088876.db2.gz KPSCIRSDOHIAAL-AWEZNQCLSA-N 2 1 366.849 1.892 20 5 FDBDMP O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000430640501 681088877 /nfs/dbraw/zinc/08/88/77/681088877.db2.gz KPSCIRSDOHIAAL-AWEZNQCLSA-N 2 1 366.849 1.892 20 5 FDBDMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000430953128 681101534 /nfs/dbraw/zinc/10/15/34/681101534.db2.gz GCZKMYVVNRPDQF-LBPRGKRZSA-N 2 1 350.419 1.862 20 5 FDBDMP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430952543 681101570 /nfs/dbraw/zinc/10/15/70/681101570.db2.gz QBVMFRVWKNWKCX-NEPJUHHUSA-N 2 1 350.419 1.990 20 5 FDBDMP CCOc1ccc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430957626 681101642 /nfs/dbraw/zinc/10/16/42/681101642.db2.gz TWOOPQMSDYJEMA-GFCCVEGCSA-N 2 1 350.419 1.991 20 5 FDBDMP COCC[N@H+](C)CCCC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000501819904 688217251 /nfs/dbraw/zinc/21/72/51/688217251.db2.gz SPKAUWWOPWBHKX-UHFFFAOYSA-N 2 1 353.467 1.899 20 5 FDBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000501819904 688217255 /nfs/dbraw/zinc/21/72/55/688217255.db2.gz SPKAUWWOPWBHKX-UHFFFAOYSA-N 2 1 353.467 1.899 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430610799 777067053 /nfs/dbraw/zinc/06/70/53/777067053.db2.gz MGRCVKPHMZJZFB-CQSZACIVSA-N 2 1 362.430 1.247 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420342876 813612089 /nfs/dbraw/zinc/61/20/89/813612089.db2.gz QJILAMHINJTEPE-KBPBESRZSA-N 2 1 362.430 1.863 20 5 FDBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420347598 813613611 /nfs/dbraw/zinc/61/36/11/813613611.db2.gz HOAPTBXCQBEFEQ-OAHLLOKOSA-N 2 1 358.402 1.124 20 5 FDBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420347598 813613615 /nfs/dbraw/zinc/61/36/15/813613615.db2.gz HOAPTBXCQBEFEQ-OAHLLOKOSA-N 2 1 358.402 1.124 20 5 FDBDMP O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366768 889016307 /nfs/dbraw/zinc/01/63/07/889016307.db2.gz OPLAISWOTBCBSL-CQSZACIVSA-N 2 1 369.263 1.837 20 5 FDBDMP O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366768 889016320 /nfs/dbraw/zinc/01/63/20/889016320.db2.gz OPLAISWOTBCBSL-CQSZACIVSA-N 2 1 369.263 1.837 20 5 FDBDMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169029014 928228275 /nfs/dbraw/zinc/22/82/75/928228275.db2.gz TVXTXKXZWMPMID-HZPDHXFCSA-N 2 1 374.489 1.074 20 5 FDBDMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169029014 928228286 /nfs/dbraw/zinc/22/82/86/928228286.db2.gz TVXTXKXZWMPMID-HZPDHXFCSA-N 2 1 374.489 1.074 20 5 FDBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CCN2CC[NH+](C)CC2)c1F ZINC001173196823 961961893 /nfs/dbraw/zinc/96/18/93/961961893.db2.gz PPMHYCAVRDWMBE-AWEZNQCLSA-N 2 1 368.453 1.853 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000288777860 1000046652 /nfs/dbraw/zinc/04/66/52/1000046652.db2.gz BLRXXHSSWWNILW-UHFFFAOYSA-N 2 1 365.478 1.657 20 5 FDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000288777860 1000046656 /nfs/dbraw/zinc/04/66/56/1000046656.db2.gz BLRXXHSSWWNILW-UHFFFAOYSA-N 2 1 365.478 1.657 20 5 FDBDMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081572927 172191422 /nfs/dbraw/zinc/19/14/22/172191422.db2.gz HSMKFRUONMAIGQ-WBVHZDCISA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081572927 172191425 /nfs/dbraw/zinc/19/14/25/172191425.db2.gz HSMKFRUONMAIGQ-WBVHZDCISA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081572927 172191428 /nfs/dbraw/zinc/19/14/28/172191428.db2.gz HSMKFRUONMAIGQ-WBVHZDCISA-N 2 1 351.447 1.998 20 5 FDBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081572927 172191430 /nfs/dbraw/zinc/19/14/30/172191430.db2.gz HSMKFRUONMAIGQ-WBVHZDCISA-N 2 1 351.447 1.998 20 5 FDBDMP CN(CC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000180943390 174198004 /nfs/dbraw/zinc/19/80/04/174198004.db2.gz ULRWWDSKPWYBRN-SFHVURJKSA-N 2 1 350.463 1.586 20 5 FDBDMP CN(CC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000180943390 174198006 /nfs/dbraw/zinc/19/80/06/174198006.db2.gz ULRWWDSKPWYBRN-SFHVURJKSA-N 2 1 350.463 1.586 20 5 FDBDMP C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367884907 260105360 /nfs/dbraw/zinc/10/53/60/260105360.db2.gz IZXGGOPOKIHBNN-GOSISDBHSA-N 2 1 374.445 1.396 20 5 FDBDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075743685 522965241 /nfs/dbraw/zinc/96/52/41/522965241.db2.gz KJFPZZHLEOSWNV-NUJGCVRESA-N 2 1 365.478 1.739 20 5 FDBDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075743685 522965247 /nfs/dbraw/zinc/96/52/47/522965247.db2.gz KJFPZZHLEOSWNV-NUJGCVRESA-N 2 1 365.478 1.739 20 5 FDBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075743685 522965257 /nfs/dbraw/zinc/96/52/57/522965257.db2.gz KJFPZZHLEOSWNV-NUJGCVRESA-N 2 1 365.478 1.739 20 5 FDBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075743685 522965269 /nfs/dbraw/zinc/96/52/69/522965269.db2.gz KJFPZZHLEOSWNV-NUJGCVRESA-N 2 1 365.478 1.739 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477749 524817276 /nfs/dbraw/zinc/81/72/76/524817276.db2.gz DDZJVVMZOIYUFS-CYBMUJFWSA-N 2 1 350.419 1.816 20 5 FDBDMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246516697 536971218 /nfs/dbraw/zinc/97/12/18/536971218.db2.gz UIRLBKUPCMLGOE-UONOGXRCSA-N 2 1 370.475 1.193 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000574324459 550296084 /nfs/dbraw/zinc/29/60/84/550296084.db2.gz ZRGLJHGIAYXSJL-QEJZJMRPSA-N 2 1 362.430 1.991 20 5 FDBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593729638 552184865 /nfs/dbraw/zinc/18/48/65/552184865.db2.gz HHONXRVDDQXOHH-COXVUDFISA-N 2 1 362.430 1.894 20 5 FDBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593729638 552184867 /nfs/dbraw/zinc/18/48/67/552184867.db2.gz HHONXRVDDQXOHH-COXVUDFISA-N 2 1 362.430 1.894 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443063391 682225202 /nfs/dbraw/zinc/22/52/02/682225202.db2.gz WLPZATZKNDHDQP-CYBMUJFWSA-N 2 1 350.419 1.993 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443063394 682225355 /nfs/dbraw/zinc/22/53/55/682225355.db2.gz WLPZATZKNDHDQP-ZDUSSCGKSA-N 2 1 350.419 1.993 20 5 FDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443064408 682225741 /nfs/dbraw/zinc/22/57/41/682225741.db2.gz YCIHTBTZNDUESH-CYBMUJFWSA-N 2 1 350.419 1.993 20 5 FDBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420402680 813649533 /nfs/dbraw/zinc/64/95/33/813649533.db2.gz MMSCXFRCCIEOAU-XWIAVFTESA-N 2 1 373.457 1.876 20 5 FDBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420402680 813649539 /nfs/dbraw/zinc/64/95/39/813649539.db2.gz MMSCXFRCCIEOAU-XWIAVFTESA-N 2 1 373.457 1.876 20 5 FDBDMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168978284 928204358 /nfs/dbraw/zinc/20/43/58/928204358.db2.gz QRZXXJMCAYSMLS-ZIAGYGMSSA-N 2 1 356.467 1.750 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879574547 995028539 /nfs/dbraw/zinc/02/85/39/995028539.db2.gz BGZZKSKIXAITPS-CZUORRHYSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879574547 995028547 /nfs/dbraw/zinc/02/85/47/995028547.db2.gz BGZZKSKIXAITPS-CZUORRHYSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574547 995028555 /nfs/dbraw/zinc/02/85/55/995028555.db2.gz BGZZKSKIXAITPS-CZUORRHYSA-N 2 1 362.430 1.958 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574547 995028565 /nfs/dbraw/zinc/02/85/65/995028565.db2.gz BGZZKSKIXAITPS-CZUORRHYSA-N 2 1 362.430 1.958 20 5 FDBDMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000090015319 172258590 /nfs/dbraw/zinc/25/85/90/172258590.db2.gz UIRLBKUPCMLGOE-KGLIPLIRSA-N 2 1 370.475 1.193 20 5 FDBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015454 172258737 /nfs/dbraw/zinc/25/87/37/172258737.db2.gz JAWMVKOXCBFNAP-RDBSUJKOSA-N 2 1 370.475 1.191 20 5 FDBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015459 172259622 /nfs/dbraw/zinc/25/96/22/172259622.db2.gz JAWMVKOXCBFNAP-HZSPNIEDSA-N 2 1 370.475 1.191 20 5 FDBDMP C[C@H]1C[C@@H](NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000119835405 525882056 /nfs/dbraw/zinc/88/20/56/525882056.db2.gz FCJJMUVMWFNHFJ-QWHCGFSZSA-N 2 1 368.459 1.088 20 5 FDBDMP C[C@H]1C[C@@H](NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000119835405 525882063 /nfs/dbraw/zinc/88/20/63/525882063.db2.gz FCJJMUVMWFNHFJ-QWHCGFSZSA-N 2 1 368.459 1.088 20 5 FDBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000190002071 537126028 /nfs/dbraw/zinc/12/60/28/537126028.db2.gz VMMMGYNERUFZEJ-NVXWUHKLSA-N 2 1 366.462 1.483 20 5 FDBDMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000563433169 546534176 /nfs/dbraw/zinc/53/41/76/546534176.db2.gz QYYJXEIEYKLYNJ-ZBFHGGJFSA-N 2 1 356.382 1.599 20 5 FDBDMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000563433169 546534179 /nfs/dbraw/zinc/53/41/79/546534179.db2.gz QYYJXEIEYKLYNJ-ZBFHGGJFSA-N 2 1 356.382 1.599 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000575869327 550485164 /nfs/dbraw/zinc/48/51/64/550485164.db2.gz PQYNFDWOULCZNU-CABCVRRESA-N 2 1 367.471 1.690 20 5 FDBDMP O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000575869327 550485166 /nfs/dbraw/zinc/48/51/66/550485166.db2.gz PQYNFDWOULCZNU-CABCVRRESA-N 2 1 367.471 1.690 20 5 FDBDMP COC(=O)COc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592424700 551993573 /nfs/dbraw/zinc/99/35/73/551993573.db2.gz VBYOAILFUIMRHA-UHFFFAOYSA-N 2 1 363.414 1.863 20 5 FDBDMP COC(=O)COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592424700 551993575 /nfs/dbraw/zinc/99/35/75/551993575.db2.gz VBYOAILFUIMRHA-UHFFFAOYSA-N 2 1 363.414 1.863 20 5 FDBDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595904621 552631509 /nfs/dbraw/zinc/63/15/09/552631509.db2.gz IWEBYYVLOIDRGX-SJLPKXTDSA-N 2 1 367.446 1.377 20 5 FDBDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595904621 552631510 /nfs/dbraw/zinc/63/15/10/552631510.db2.gz IWEBYYVLOIDRGX-SJLPKXTDSA-N 2 1 367.446 1.377 20 5 FDBDMP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000595907758 552631774 /nfs/dbraw/zinc/63/17/74/552631774.db2.gz XPOVYTBRQQPCQE-OAHLLOKOSA-N 2 1 364.446 1.966 20 5 FDBDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000595907758 552631775 /nfs/dbraw/zinc/63/17/75/552631775.db2.gz XPOVYTBRQQPCQE-OAHLLOKOSA-N 2 1 364.446 1.966 20 5 FDBDMP O=C(CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000596064819 552651721 /nfs/dbraw/zinc/65/17/21/552651721.db2.gz AFKYPVQAICFPGI-HNNXBMFYSA-N 2 1 362.430 1.766 20 5 FDBDMP O=[N+]([O-])c1c(N[C@H]2CC[NH+](C3CC3)C2)ncnc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000603279146 553752101 /nfs/dbraw/zinc/75/21/01/553752101.db2.gz NOAISZUSWNTTRA-STQMWFEESA-N 2 1 373.461 1.682 20 5 FDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420410127 680441579 /nfs/dbraw/zinc/44/15/79/680441579.db2.gz RBAJVOBBUJHTJN-OLZOCXBDSA-N 2 1 350.419 1.849 20 5 FDBDMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430649096 681089387 /nfs/dbraw/zinc/08/93/87/681089387.db2.gz HYOPIUUEXAUMIF-CYBMUJFWSA-N 2 1 350.419 1.863 20 5 FDBDMP