smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c(C[NH3+])c1 ZINC001164908356 721719669 /nfs/dbraw/zinc/71/96/69/721719669.db2.gz XGBBIDYJCWRXDH-FQEVSTJZSA-N 1 3 387.478 2.981 20 0 GFADHO Cc1cc2[nH]ccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164980458 722124245 /nfs/dbraw/zinc/12/42/45/722124245.db2.gz RFBIYJFBUUSJHX-RXVVDRJESA-N 1 3 377.492 2.994 20 0 GFADHO O=C(NCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000166426926 551631817 /nfs/dbraw/zinc/63/18/17/551631817.db2.gz DXHPXNCNRSUJDX-DLBZAZTESA-N 1 3 380.330 2.785 20 0 GFADHO O=C(NCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000166426926 551631820 /nfs/dbraw/zinc/63/18/20/551631820.db2.gz DXHPXNCNRSUJDX-DLBZAZTESA-N 1 3 380.330 2.785 20 0 GFADHO CC(C)[C@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418419933 563217290 /nfs/dbraw/zinc/21/72/90/563217290.db2.gz ZTTAYHVKXGYSPM-MRXNPFEDSA-N 1 3 385.350 2.506 20 0 GFADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000418597963 563220626 /nfs/dbraw/zinc/22/06/26/563220626.db2.gz IDTIYPGFTIVMSK-YOEHRIQHSA-N 1 3 397.361 2.663 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418787397 563226051 /nfs/dbraw/zinc/22/60/51/563226051.db2.gz JQSORZULUWSIMN-WBVHZDCISA-N 1 3 397.361 2.650 20 0 GFADHO CC(C)[NH+](CCCNC1CCN(S(=O)(=O)c2cccs2)CC1)C(C)C ZINC000370661922 563251632 /nfs/dbraw/zinc/25/16/32/563251632.db2.gz ICNUGXAETWYFRZ-UHFFFAOYSA-N 1 3 387.615 3.000 20 0 GFADHO CCOC(=O)C1([C@H](C)NCc2cc(F)cc(Br)c2)CC[NH2+]CC1 ZINC000422731678 563348423 /nfs/dbraw/zinc/34/84/23/563348423.db2.gz MDIXFTMOCFPGQS-LBPRGKRZSA-N 1 3 387.293 2.999 20 0 GFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422842662 563350172 /nfs/dbraw/zinc/35/01/72/563350172.db2.gz YUJSXJWJSZETIA-YALNPMBYSA-N 1 3 383.330 2.963 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423151484 563356800 /nfs/dbraw/zinc/35/68/00/563356800.db2.gz DIPPVJFHZKFCGF-XKQJLSEDSA-N 1 3 385.346 2.858 20 0 GFADHO COc1ccc2c(c1)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423388594 563360236 /nfs/dbraw/zinc/36/02/36/563360236.db2.gz MZHOWUNGKDZDQO-GDBMZVCRSA-N 1 3 375.460 2.658 20 0 GFADHO C[C@H]1CC2(CN1CC(=O)N(C)Cc1ccccc1Br)CC[NH2+]CC2 ZINC000424291357 563376140 /nfs/dbraw/zinc/37/61/40/563376140.db2.gz NQCUKCZVVUUAAG-HNNXBMFYSA-N 1 3 394.357 2.872 20 0 GFADHO C[NH2+]CC1CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000430950754 563550706 /nfs/dbraw/zinc/55/07/06/563550706.db2.gz SCKAKJBJLPSRLX-CQSZACIVSA-N 1 3 382.346 2.727 20 0 GFADHO C[C@@H](C[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739673 563751743 /nfs/dbraw/zinc/75/17/43/563751743.db2.gz JDDWAUFMPMFTNV-UONOGXRCSA-N 1 3 388.339 2.890 20 0 GFADHO C[C@@H](C[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739673 563751745 /nfs/dbraw/zinc/75/17/45/563751745.db2.gz JDDWAUFMPMFTNV-UONOGXRCSA-N 1 3 388.339 2.890 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC(N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000414928634 563754346 /nfs/dbraw/zinc/75/43/46/563754346.db2.gz NALRRBWBVTZVTL-SCLBCKFNSA-N 1 3 394.357 2.950 20 0 GFADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000367247369 563837922 /nfs/dbraw/zinc/83/79/22/563837922.db2.gz URGDHXJIPHCFJR-UTRMSSBJSA-N 1 3 397.357 2.962 20 0 GFADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000367247369 563837924 /nfs/dbraw/zinc/83/79/24/563837924.db2.gz URGDHXJIPHCFJR-UTRMSSBJSA-N 1 3 397.357 2.962 20 0 GFADHO COCC[N@H+](C)C[C@H](O)CN[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370281 564278356 /nfs/dbraw/zinc/27/83/56/564278356.db2.gz PFRSRKXGSBAERB-QZTJIDSGSA-N 1 3 385.346 2.819 20 0 GFADHO COCC[N@@H+](C)C[C@H](O)CN[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370281 564278359 /nfs/dbraw/zinc/27/83/59/564278359.db2.gz PFRSRKXGSBAERB-QZTJIDSGSA-N 1 3 385.346 2.819 20 0 GFADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752936 564608782 /nfs/dbraw/zinc/60/87/82/564608782.db2.gz PAJUVOREHAHMHE-GDBMZVCRSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752936 564608786 /nfs/dbraw/zinc/60/87/86/564608786.db2.gz PAJUVOREHAHMHE-GDBMZVCRSA-N 1 3 391.339 2.824 20 0 GFADHO Brc1ccc(OCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530236982 564872936 /nfs/dbraw/zinc/87/29/36/564872936.db2.gz AUWNFGGHWMKAGV-GOSISDBHSA-N 1 3 383.330 2.918 20 0 GFADHO Cc1cc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1Br ZINC000530718734 564893271 /nfs/dbraw/zinc/89/32/71/564893271.db2.gz KZQPPIKGYJKWCR-UHFFFAOYSA-N 1 3 384.362 2.642 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000531357971 564907776 /nfs/dbraw/zinc/90/77/76/564907776.db2.gz XKAKFZUQAHMMCX-SJORKVTESA-N 1 3 382.346 2.504 20 0 GFADHO CC(C)(O)C[NH+]1CCC(NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000638490571 565199403 /nfs/dbraw/zinc/19/94/03/565199403.db2.gz ALQKEDPQDKERTL-UHFFFAOYSA-N 1 3 398.345 2.603 20 0 GFADHO CN(C)C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000638831457 565214616 /nfs/dbraw/zinc/21/46/16/565214616.db2.gz LQCCYIHFRBKJOQ-HUUCEWRRSA-N 1 3 375.460 2.519 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cc(F)ccc1Br ZINC000617506400 565244610 /nfs/dbraw/zinc/24/46/10/565244610.db2.gz LYMXIGCTKAGLQA-ZDUSSCGKSA-N 1 3 388.325 2.519 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cc(F)ccc1Br ZINC000617506400 565244615 /nfs/dbraw/zinc/24/46/15/565244615.db2.gz LYMXIGCTKAGLQA-ZDUSSCGKSA-N 1 3 388.325 2.519 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1sccc1Br ZINC000663867305 565440808 /nfs/dbraw/zinc/44/08/08/565440808.db2.gz OZQVPHGXZANQTO-LBPRGKRZSA-N 1 3 391.379 2.582 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1sccc1Br ZINC000663867305 565440812 /nfs/dbraw/zinc/44/08/12/565440812.db2.gz OZQVPHGXZANQTO-LBPRGKRZSA-N 1 3 391.379 2.582 20 0 GFADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cc(F)c(Br)cc1F ZINC000629650802 565864870 /nfs/dbraw/zinc/86/48/70/565864870.db2.gz FDKINWDAHNKRMS-GHMZBOCLSA-N 1 3 390.272 2.575 20 0 GFADHO O=C(NCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000677237074 565965658 /nfs/dbraw/zinc/96/56/58/565965658.db2.gz AMFIEPLZTPHHJU-SJORKVTESA-N 1 3 380.330 2.785 20 0 GFADHO O=C(NCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000677237074 565965659 /nfs/dbraw/zinc/96/56/59/565965659.db2.gz AMFIEPLZTPHHJU-SJORKVTESA-N 1 3 380.330 2.785 20 0 GFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000131461015 654907825 /nfs/dbraw/zinc/90/78/25/654907825.db2.gz UIASIPNNMCWUEG-JSGCOSHPSA-N 1 3 386.309 2.826 20 0 GFADHO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174715578 655206139 /nfs/dbraw/zinc/20/61/39/655206139.db2.gz RFOFCDSILSRNKL-AWEZNQCLSA-N 1 3 387.355 2.890 20 0 GFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000840764822 661185253 /nfs/dbraw/zinc/18/52/53/661185253.db2.gz AODZXJVJJJLDPN-SJLPKXTDSA-N 1 3 380.627 2.960 20 0 GFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000840764822 661185257 /nfs/dbraw/zinc/18/52/57/661185257.db2.gz AODZXJVJJJLDPN-SJLPKXTDSA-N 1 3 380.627 2.960 20 0 GFADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000764385407 656109587 /nfs/dbraw/zinc/10/95/87/656109587.db2.gz XTPTXXRRIIVIDQ-MRXNPFEDSA-N 1 3 376.372 2.884 20 0 GFADHO COc1ncc(Br)cc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000865619628 662432352 /nfs/dbraw/zinc/43/23/52/662432352.db2.gz BWJRKRYADUXESB-UHFFFAOYSA-N 1 3 398.345 2.833 20 0 GFADHO CC(C)(C[NH3+])C1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000903789020 663807054 /nfs/dbraw/zinc/80/70/54/663807054.db2.gz NFAFSVQMCMWLFG-UHFFFAOYSA-N 1 3 393.329 2.654 20 0 GFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@H](O)c3cccc(Br)c3)C2)C1 ZINC000923390267 664629438 /nfs/dbraw/zinc/62/94/38/664629438.db2.gz WEPKYGMBWTXNPI-RANZSIQMSA-N 1 3 383.330 2.701 20 0 GFADHO C[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Br)n1 ZINC000924687261 664659580 /nfs/dbraw/zinc/65/95/80/664659580.db2.gz ANLUPWAUEHLWOQ-CQSZACIVSA-N 1 3 390.329 2.842 20 0 GFADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncccc4CN4CCCC4)CC[N@@H+]3C2)c1 ZINC001164879866 721185374 /nfs/dbraw/zinc/18/53/74/721185374.db2.gz UWFIIYRFECTUEM-FGZHOGPDSA-N 1 3 393.535 2.552 20 0 GFADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncccc4CN4CCCC4)CC[N@H+]3C2)c1 ZINC001164879866 721185389 /nfs/dbraw/zinc/18/53/89/721185389.db2.gz UWFIIYRFECTUEM-FGZHOGPDSA-N 1 3 393.535 2.552 20 0 GFADHO C[C@@H](Cn1cc(Br)cn1)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000162508932 551608983 /nfs/dbraw/zinc/60/89/83/551608983.db2.gz ZPUFPYJCZYIEKR-AWEZNQCLSA-N 1 3 381.318 2.764 20 0 GFADHO C[C@H](CC[NH3+])NC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000418518131 563219438 /nfs/dbraw/zinc/21/94/38/563219438.db2.gz FKYBIUSVIBEVHR-CQSZACIVSA-N 1 3 397.361 2.792 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418787394 563225899 /nfs/dbraw/zinc/22/58/99/563225899.db2.gz JQSORZULUWSIMN-DOTOQJQBSA-N 1 3 397.361 2.650 20 0 GFADHO Cc1nn(C)c(CNCC2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000279020479 563280413 /nfs/dbraw/zinc/28/04/13/563280413.db2.gz AFQLFUJAPYZZKR-UHFFFAOYSA-N 1 3 378.318 2.892 20 0 GFADHO C[C@@H](CCC[NH3+])NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772971 563349345 /nfs/dbraw/zinc/34/93/45/563349345.db2.gz ZXGYNFKHJXJUGO-LBPRGKRZSA-N 1 3 377.348 2.718 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422906806 563350696 /nfs/dbraw/zinc/35/06/96/563350696.db2.gz KKVSCRCJXXRDOW-WMLDXEAASA-N 1 3 382.346 2.905 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422906806 563350698 /nfs/dbraw/zinc/35/06/98/563350698.db2.gz KKVSCRCJXXRDOW-WMLDXEAASA-N 1 3 382.346 2.905 20 0 GFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423012348 563352982 /nfs/dbraw/zinc/35/29/82/563352982.db2.gz KJZGCEZSLJGAMT-ZKYQVNSYSA-N 1 3 381.826 2.865 20 0 GFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423012348 563352984 /nfs/dbraw/zinc/35/29/84/563352984.db2.gz KJZGCEZSLJGAMT-ZKYQVNSYSA-N 1 3 381.826 2.865 20 0 GFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)c(F)c1 ZINC000423465530 563361412 /nfs/dbraw/zinc/36/14/12/563361412.db2.gz WOHHEDIEXKAGFA-ONUMYQOESA-N 1 3 398.320 2.886 20 0 GFADHO [NH3+][C@@H]1CCC[C@@H](CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000423481929 563361543 /nfs/dbraw/zinc/36/15/43/563361543.db2.gz XDEWBAKHQBGRCW-KYOSRNDESA-N 1 3 387.343 2.775 20 0 GFADHO [NH3+]C1(CNCc2ccc(Br)cn2)CCN(Cc2ccccc2)CC1 ZINC000415127555 563760617 /nfs/dbraw/zinc/76/06/17/563760617.db2.gz IOZVWVCCIMMBSI-UHFFFAOYSA-N 1 3 389.341 2.927 20 0 GFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415990035 563801421 /nfs/dbraw/zinc/80/14/21/563801421.db2.gz BVHLJPSIKFRTOU-CQSZACIVSA-N 1 3 380.842 2.693 20 0 GFADHO COCCNCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000570329352 564501146 /nfs/dbraw/zinc/50/11/46/564501146.db2.gz HPYVDCGTYOJSTE-UHFFFAOYSA-N 1 3 388.339 2.654 20 0 GFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3ccc(Br)cc3F)C[C@@H]21 ZINC000573685254 564649904 /nfs/dbraw/zinc/64/99/04/564649904.db2.gz ZMPGTZFLJDPEAG-CORIIIEPSA-N 1 3 384.293 2.976 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1CC[NH2+]CC1 ZINC000574975656 564690089 /nfs/dbraw/zinc/69/00/89/564690089.db2.gz QLKREOFLJZUDAO-UHFFFAOYSA-N 1 3 397.361 2.522 20 0 GFADHO Cc1cc(Br)c(F)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526186772 564721811 /nfs/dbraw/zinc/72/18/11/564721811.db2.gz BIQOVLKYXDHVQE-UHFFFAOYSA-N 1 3 389.313 2.854 20 0 GFADHO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000554510538 564763358 /nfs/dbraw/zinc/76/33/58/564763358.db2.gz AVSWUSCTNVGXBD-ZDUSSCGKSA-N 1 3 376.328 2.713 20 0 GFADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCCc1cccc(Cl)c1Cl ZINC000580714893 564770972 /nfs/dbraw/zinc/77/09/72/564770972.db2.gz NFDWNJZJSVDECK-HOTGVXAUSA-N 1 3 384.351 2.974 20 0 GFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(Br)cc1 ZINC000499505774 564929962 /nfs/dbraw/zinc/92/99/62/564929962.db2.gz CWAYEUBIHAKGCR-KRWDZBQOSA-N 1 3 382.346 2.937 20 0 GFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(Br)cc1 ZINC000499505774 564929966 /nfs/dbraw/zinc/92/99/66/564929966.db2.gz CWAYEUBIHAKGCR-KRWDZBQOSA-N 1 3 382.346 2.937 20 0 GFADHO CN1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638413016 565195457 /nfs/dbraw/zinc/19/54/57/565195457.db2.gz VYTFNMKQCGIVOU-GBESFXJTSA-N 1 3 396.373 2.631 20 0 GFADHO Cc1c(Br)scc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507113 565244276 /nfs/dbraw/zinc/24/42/76/565244276.db2.gz IRBFFYKZYTVEIE-NSHDSACASA-N 1 3 376.364 2.821 20 0 GFADHO Cc1c(Br)scc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507113 565244277 /nfs/dbraw/zinc/24/42/77/565244277.db2.gz IRBFFYKZYTVEIE-NSHDSACASA-N 1 3 376.364 2.821 20 0 GFADHO CC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(I)cc1 ZINC000610803918 566100593 /nfs/dbraw/zinc/10/05/93/566100593.db2.gz DWFXZQNDJVLDSP-HZPDHXFCSA-N 1 3 388.293 2.789 20 0 GFADHO c1nc2ccc(-c3nnn[n-]3)cn2c1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000738420466 599489823 /nfs/dbraw/zinc/48/98/23/599489823.db2.gz HACGZHACIVIHGL-UHFFFAOYSA-N 1 3 382.516 2.650 20 0 GFADHO c1nc2ccc(-c3nn[n-]n3)cn2c1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000738420466 599489826 /nfs/dbraw/zinc/48/98/26/599489826.db2.gz HACGZHACIVIHGL-UHFFFAOYSA-N 1 3 382.516 2.650 20 0 GFADHO CN(CCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821604694 599592883 /nfs/dbraw/zinc/59/28/83/599592883.db2.gz BARUPQQURKWAPF-LJQANCHMSA-N 1 3 392.507 2.699 20 0 GFADHO CN(CCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821604694 599592884 /nfs/dbraw/zinc/59/28/84/599592884.db2.gz BARUPQQURKWAPF-LJQANCHMSA-N 1 3 392.507 2.699 20 0 GFADHO CC(C)[NH+]1CCC(O)(CNCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000268419711 654970553 /nfs/dbraw/zinc/97/05/53/654970553.db2.gz KWZBYFFCKVSVRK-UHFFFAOYSA-N 1 3 385.302 2.503 20 0 GFADHO COCCC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)cc1 ZINC000268997178 654994460 /nfs/dbraw/zinc/99/44/60/654994460.db2.gz OBLPDQAIBHEQFE-QGZVFWFLSA-N 1 3 385.346 2.963 20 0 GFADHO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC2(C1)CC[NH2+]CC2 ZINC000863543360 662335956 /nfs/dbraw/zinc/33/59/56/662335956.db2.gz YPTRTFTXNBMXDL-MRXNPFEDSA-N 1 3 378.314 2.778 20 0 GFADHO C[NH+](C)[C@@H](CNC(=O)[C@H](N)c1cccc(Br)c1)c1ccsc1 ZINC000870863670 662703781 /nfs/dbraw/zinc/70/37/81/662703781.db2.gz UJZNUSSXPCUFOQ-LSDHHAIUSA-N 1 3 382.327 2.930 20 0 GFADHO CN1CCC(O)(C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872038188 662754503 /nfs/dbraw/zinc/75/45/03/662754503.db2.gz LFSNAEHEQLAODD-NVXWUHKLSA-N 1 3 383.330 2.573 20 0 GFADHO C[C@@H](CNCc1c(Br)c2ccccc2n1C)C[NH+]1CCN(C)CC1 ZINC000873041543 662797291 /nfs/dbraw/zinc/79/72/91/662797291.db2.gz AZFWVVWXVMLRKL-HNNXBMFYSA-N 1 3 393.373 2.914 20 0 GFADHO C[NH+](C)[C@H](CNC(=O)[C@H](N)c1ccc(Br)cc1)c1ccsc1 ZINC000884188284 663066799 /nfs/dbraw/zinc/06/67/99/663066799.db2.gz CSXWWYKWNIUTEO-HUUCEWRRSA-N 1 3 382.327 2.930 20 0 GFADHO Cc1c(C[C@H](CN)C[NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)cnn1C ZINC000903937783 663812804 /nfs/dbraw/zinc/81/28/04/663812804.db2.gz RFJBJDPVOXETSF-GBRSUSRYSA-N 1 3 389.341 2.536 20 0 GFADHO Cc1c(C[C@H](C[NH3+])CN[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)cnn1C ZINC000903937783 663812806 /nfs/dbraw/zinc/81/28/06/663812806.db2.gz RFJBJDPVOXETSF-GBRSUSRYSA-N 1 3 389.341 2.536 20 0 GFADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999497 664664916 /nfs/dbraw/zinc/66/49/16/664664916.db2.gz JDFLXSADWZPBQP-WMLDXEAASA-N 1 3 394.357 2.790 20 0 GFADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999497 664664917 /nfs/dbraw/zinc/66/49/17/664664917.db2.gz JDFLXSADWZPBQP-WMLDXEAASA-N 1 3 394.357 2.790 20 0 GFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164816076 720164872 /nfs/dbraw/zinc/16/48/72/720164872.db2.gz KGLNPPAWRYYBCW-GGAORHGYSA-N 1 3 384.568 2.862 20 0 GFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164816076 720164886 /nfs/dbraw/zinc/16/48/86/720164886.db2.gz KGLNPPAWRYYBCW-GGAORHGYSA-N 1 3 384.568 2.862 20 0 GFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cncc(Br)c1 ZINC000126876852 551333765 /nfs/dbraw/zinc/33/37/65/551333765.db2.gz UTIKQLMVPMPSMI-MRXNPFEDSA-N 1 3 398.349 2.724 20 0 GFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cncc(Br)c1 ZINC000126876852 551333767 /nfs/dbraw/zinc/33/37/67/551333767.db2.gz UTIKQLMVPMPSMI-MRXNPFEDSA-N 1 3 398.349 2.724 20 0 GFADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000168960297 551634732 /nfs/dbraw/zinc/63/47/32/551634732.db2.gz ONLNUECZDATGDP-GOSISDBHSA-N 1 3 386.367 2.960 20 0 GFADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000418597959 563220877 /nfs/dbraw/zinc/22/08/77/563220877.db2.gz IDTIYPGFTIVMSK-PBHICJAKSA-N 1 3 397.361 2.663 20 0 GFADHO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000422910510 563350502 /nfs/dbraw/zinc/35/05/02/563350502.db2.gz QVKJDEQIHJMRLQ-SUMWQHHRSA-N 1 3 398.345 2.685 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422945703 563351745 /nfs/dbraw/zinc/35/17/45/563351745.db2.gz NNFNHSVJEMFGDD-DFEHZGFQSA-N 1 3 382.346 2.617 20 0 GFADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000423092410 563354967 /nfs/dbraw/zinc/35/49/67/563354967.db2.gz BUNAWZBJINFJTA-CHWSQXEVSA-N 1 3 384.318 2.816 20 0 GFADHO C[C@H](CCCC[NH3+])N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423445471 563361135 /nfs/dbraw/zinc/36/11/35/563361135.db2.gz XWJZEMBIESYJGS-BXUZGUMPSA-N 1 3 375.332 2.775 20 0 GFADHO Brc1cccc([C@@H]([NH2+]C[C@@H]2CNCCCO2)C2CCOCC2)c1 ZINC000423489209 563361395 /nfs/dbraw/zinc/36/13/95/563361395.db2.gz FOQRAWICUCPNNE-ROUUACIJSA-N 1 3 383.330 2.885 20 0 GFADHO C[C@H](NC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000431016252 563551589 /nfs/dbraw/zinc/55/15/89/563551589.db2.gz ZGESLCMUPKXPHW-AWEZNQCLSA-N 1 3 380.330 2.702 20 0 GFADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1Br ZINC000414179253 563721901 /nfs/dbraw/zinc/72/19/01/563721901.db2.gz ADEQNVDGEQMCNU-MRXNPFEDSA-N 1 3 396.373 2.896 20 0 GFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(Br)c1 ZINC000505731524 564188613 /nfs/dbraw/zinc/18/86/13/564188613.db2.gz NSQQGHOHRWHFPU-QGZVFWFLSA-N 1 3 382.346 2.937 20 0 GFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(Br)c1 ZINC000505731524 564188614 /nfs/dbraw/zinc/18/86/14/564188614.db2.gz NSQQGHOHRWHFPU-QGZVFWFLSA-N 1 3 382.346 2.937 20 0 GFADHO COCC[N@H+](C)C[C@@H](O)CN[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370282 564277999 /nfs/dbraw/zinc/27/79/99/564277999.db2.gz PFRSRKXGSBAERB-ROUUACIJSA-N 1 3 385.346 2.819 20 0 GFADHO COCC[N@@H+](C)C[C@@H](O)CN[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370282 564278005 /nfs/dbraw/zinc/27/80/05/564278005.db2.gz PFRSRKXGSBAERB-ROUUACIJSA-N 1 3 385.346 2.819 20 0 GFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000566116584 564310534 /nfs/dbraw/zinc/31/05/34/564310534.db2.gz PXULMEJETGITRL-MRVWCRGKSA-N 1 3 391.737 2.915 20 0 GFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000566116584 564310537 /nfs/dbraw/zinc/31/05/37/564310537.db2.gz PXULMEJETGITRL-MRVWCRGKSA-N 1 3 391.737 2.915 20 0 GFADHO CC[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000517554227 564536434 /nfs/dbraw/zinc/53/64/34/564536434.db2.gz VVPCELTVIAGEOT-BHYGNILZSA-N 1 3 385.961 2.677 20 0 GFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000517733085 564541021 /nfs/dbraw/zinc/54/10/21/564541021.db2.gz WVBYCYJNEMHOJY-RDJZCZTQSA-N 1 3 385.346 2.899 20 0 GFADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549709464 564602063 /nfs/dbraw/zinc/60/20/63/564602063.db2.gz DXAWLLNEWQUKIP-QGZVFWFLSA-N 1 3 380.374 2.924 20 0 GFADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000582839728 564864115 /nfs/dbraw/zinc/86/41/15/564864115.db2.gz JCCZHAPRWHWIMD-BRWVUGGUSA-N 1 3 380.330 2.689 20 0 GFADHO C[NH+](C)CCN1CCC(NCc2c(F)ccc(Br)c2F)CC1 ZINC000501483484 564981292 /nfs/dbraw/zinc/98/12/92/564981292.db2.gz VYVOOZFQNGBNSW-UHFFFAOYSA-N 1 3 376.289 2.843 20 0 GFADHO CN(C)CC[NH+]1CCC(NCc2c(F)ccc(Br)c2F)CC1 ZINC000501483484 564981295 /nfs/dbraw/zinc/98/12/95/564981295.db2.gz VYVOOZFQNGBNSW-UHFFFAOYSA-N 1 3 376.289 2.843 20 0 GFADHO COc1cc(C[NH2+]CCCCN2CCN(C)CC2)c(F)cc1Br ZINC000631042096 565935510 /nfs/dbraw/zinc/93/55/10/565935510.db2.gz VWCUPDNCOMDVLJ-UHFFFAOYSA-N 1 3 388.325 2.714 20 0 GFADHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000635007303 566187922 /nfs/dbraw/zinc/18/79/22/566187922.db2.gz VYJUZUIWCKEBOJ-LHIBYTEYSA-N 1 3 377.326 2.834 20 0 GFADHO C[C@@H](Cn1cc(Br)ccc1=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635005410 566188053 /nfs/dbraw/zinc/18/80/53/566188053.db2.gz IQPZMDMTTWWOLT-YOEHRIQHSA-N 1 3 378.314 2.549 20 0 GFADHO COc1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1-c1nnn[n-]1 ZINC000826202104 608286958 /nfs/dbraw/zinc/28/69/58/608286958.db2.gz OAYIWGZRYOQCBA-OAHLLOKOSA-N 1 3 396.495 2.667 20 0 GFADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916523 660211911 /nfs/dbraw/zinc/21/19/11/660211911.db2.gz GYGALLBORQVFSG-HUUCEWRRSA-N 1 3 380.432 2.609 20 0 GFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000127972733 654839144 /nfs/dbraw/zinc/83/91/44/654839144.db2.gz LXLYDVXFQHJWNH-JSGCOSHPSA-N 1 3 386.309 2.826 20 0 GFADHO Cc1cc(Br)cc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000774991695 656582215 /nfs/dbraw/zinc/58/22/15/656582215.db2.gz JFLRKIWXBOAHIU-UHFFFAOYSA-N 1 3 382.346 2.790 20 0 GFADHO Cc1cc([C@@H](N)CC(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc(Cl)n1 ZINC000841857535 661316441 /nfs/dbraw/zinc/31/64/41/661316441.db2.gz URFXZJKERHALNY-ZDUSSCGKSA-N 1 3 379.917 2.996 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000855345648 661987444 /nfs/dbraw/zinc/98/74/44/661987444.db2.gz DWAMHMPGAPLJNV-NSHDSACASA-N 1 3 380.842 2.756 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000855345648 661987446 /nfs/dbraw/zinc/98/74/46/661987446.db2.gz DWAMHMPGAPLJNV-NSHDSACASA-N 1 3 380.842 2.756 20 0 GFADHO COC(=O)c1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1Br ZINC000877084254 662870874 /nfs/dbraw/zinc/87/08/74/662870874.db2.gz FBAWDMJDABEAEP-UHFFFAOYSA-N 1 3 399.329 2.561 20 0 GFADHO Cc1ccnc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1Br ZINC000877527313 662878098 /nfs/dbraw/zinc/87/80/98/662878098.db2.gz YNWLNUIQCVSNFI-INIZCTEOSA-N 1 3 381.362 2.753 20 0 GFADHO C[C@H](N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1nc(Br)ccc1F ZINC000925043473 664665958 /nfs/dbraw/zinc/66/59/58/664665958.db2.gz YQNRINDRSSFSAY-QWHCGFSZSA-N 1 3 385.325 2.802 20 0 GFADHO C[C@H](N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1nc(Br)ccc1F ZINC000925043473 664665960 /nfs/dbraw/zinc/66/59/60/664665960.db2.gz YQNRINDRSSFSAY-QWHCGFSZSA-N 1 3 385.325 2.802 20 0 GFADHO COc1ccc([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Br ZINC000925853702 664675982 /nfs/dbraw/zinc/67/59/82/664675982.db2.gz KOTQVCLOLSYVSK-TZMCWYRMSA-N 1 3 397.313 2.794 20 0 GFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164817518 720179813 /nfs/dbraw/zinc/17/98/13/720179813.db2.gz PQOQBJAGGSKSDO-REWPJTCUSA-N 1 3 384.568 2.861 20 0 GFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164817518 720179821 /nfs/dbraw/zinc/17/98/21/720179821.db2.gz PQOQBJAGGSKSDO-REWPJTCUSA-N 1 3 384.568 2.861 20 0 GFADHO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(-n5ccnc5)ccn4)CC[N@@H+]3C2)c1 ZINC001164903092 721561194 /nfs/dbraw/zinc/56/11/94/721561194.db2.gz AIECJTZBVNOACL-AZUAARDMSA-N 1 3 379.439 2.748 20 0 GFADHO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(-n5ccnc5)ccn4)CC[N@H+]3C2)c1 ZINC001164903092 721561198 /nfs/dbraw/zinc/56/11/98/721561198.db2.gz AIECJTZBVNOACL-AZUAARDMSA-N 1 3 379.439 2.748 20 0 GFADHO O=C(NCC[NH2+]C1CCN(CC2CC2)CC1)c1ccc(Br)cc1 ZINC000130115481 551362194 /nfs/dbraw/zinc/36/21/94/551362194.db2.gz OIYAACMGAONVJG-UHFFFAOYSA-N 1 3 380.330 2.643 20 0 GFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000187204592 552409332 /nfs/dbraw/zinc/40/93/32/552409332.db2.gz CQWXQSNWOYWIAF-HNNXBMFYSA-N 1 3 384.362 2.821 20 0 GFADHO Brc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422700643 563348299 /nfs/dbraw/zinc/34/82/99/563348299.db2.gz ANABCTZMIQJLIO-DSLXNQLJSA-N 1 3 394.357 2.775 20 0 GFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422778147 563349981 /nfs/dbraw/zinc/34/99/81/563349981.db2.gz AFZPWPPVPOMAMT-RDJZCZTQSA-N 1 3 385.599 2.572 20 0 GFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422778147 563349983 /nfs/dbraw/zinc/34/99/83/563349983.db2.gz AFZPWPPVPOMAMT-RDJZCZTQSA-N 1 3 385.599 2.572 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896350 563349989 /nfs/dbraw/zinc/34/99/89/563349989.db2.gz XVKVQJJLPNZXCF-JVPBZIDWSA-N 1 3 396.373 2.755 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900595 563350202 /nfs/dbraw/zinc/35/02/02/563350202.db2.gz QTZQCVTXBMYXKA-IHETXDGRSA-N 1 3 382.346 2.617 20 0 GFADHO CCOC(=O)C1([C@H](C)NCc2sccc2Br)CC[NH2+]CC1 ZINC000422935873 563351896 /nfs/dbraw/zinc/35/18/96/563351896.db2.gz AYDHFQOKJCPMSH-NSHDSACASA-N 1 3 375.332 2.922 20 0 GFADHO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCC[C@H]2CN)cc1Br ZINC000423165267 563357782 /nfs/dbraw/zinc/35/77/82/563357782.db2.gz UFHNDCHEBSCDSZ-ZOBUZTSGSA-N 1 3 385.346 2.716 20 0 GFADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)cs1 ZINC000423372821 563360392 /nfs/dbraw/zinc/36/03/92/563360392.db2.gz BJTVNRGDVFWXMB-JOYOIKCWSA-N 1 3 386.281 2.997 20 0 GFADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000414113689 563719430 /nfs/dbraw/zinc/71/94/30/563719430.db2.gz OADHZJHGXMBDFO-AWEZNQCLSA-N 1 3 382.346 2.996 20 0 GFADHO Cc1cc(Br)cc(CNCCCN2CC[NH2+]CC2)c1OC(F)F ZINC000414777759 563752827 /nfs/dbraw/zinc/75/28/27/563752827.db2.gz HJSFIQHSGALCKH-UHFFFAOYSA-N 1 3 392.288 2.744 20 0 GFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1cc(Br)ccc1F ZINC000449600969 564191970 /nfs/dbraw/zinc/19/19/70/564191970.db2.gz QAUGCQZSGCBGEL-IAOVAPTHSA-N 1 3 385.321 2.956 20 0 GFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1cc(Br)ccc1F ZINC000449600969 564191971 /nfs/dbraw/zinc/19/19/71/564191971.db2.gz QAUGCQZSGCBGEL-IAOVAPTHSA-N 1 3 385.321 2.956 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449681581 564195859 /nfs/dbraw/zinc/19/58/59/564195859.db2.gz MCAGDCGOMRWKSK-WBAXXEDZSA-N 1 3 397.357 2.825 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449681581 564195861 /nfs/dbraw/zinc/19/58/61/564195861.db2.gz MCAGDCGOMRWKSK-WBAXXEDZSA-N 1 3 397.357 2.825 20 0 GFADHO CC[NH+](CC)CCOCCNCc1cnc2c(C)cc(Br)cn12 ZINC000542691292 564320547 /nfs/dbraw/zinc/32/05/47/564320547.db2.gz PSDJUXQISDCZRN-UHFFFAOYSA-N 1 3 383.334 2.853 20 0 GFADHO C[NH+](C)C1CCC(NCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000513661116 564436115 /nfs/dbraw/zinc/43/61/15/564436115.db2.gz MUMNUARLWXJHPB-UHFFFAOYSA-N 1 3 378.318 2.992 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000570565013 564512126 /nfs/dbraw/zinc/51/21/26/564512126.db2.gz ANISDMMBVGARSW-UHFFFAOYSA-N 1 3 378.851 2.899 20 0 GFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000516867651 564514378 /nfs/dbraw/zinc/51/43/78/564514378.db2.gz JWPQZJXWQPXOHL-SJORKVTESA-N 1 3 387.293 2.795 20 0 GFADHO CSC1(CNC(=O)N(CCN(C)C)Cc2ccsc2)CC[NH+](C)CC1 ZINC000458793455 564718798 /nfs/dbraw/zinc/71/87/98/564718798.db2.gz SOKWUULUYGEJPU-UHFFFAOYSA-N 1 3 384.615 2.649 20 0 GFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000489529202 564742888 /nfs/dbraw/zinc/74/28/88/564742888.db2.gz UIASIPNNMCWUEG-GXTWGEPZSA-N 1 3 386.309 2.826 20 0 GFADHO C[C@H]1C[N@H+](CCOc2ccc(Br)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490699957 564780616 /nfs/dbraw/zinc/78/06/16/564780616.db2.gz OMWHIOVQYYGIMW-LPHOPBHVSA-N 1 3 396.373 2.786 20 0 GFADHO C[C@H]1C[N@@H+](CCOc2ccc(Br)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490699957 564780620 /nfs/dbraw/zinc/78/06/20/564780620.db2.gz OMWHIOVQYYGIMW-LPHOPBHVSA-N 1 3 396.373 2.786 20 0 GFADHO CN(C)C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000638831483 565214011 /nfs/dbraw/zinc/21/40/11/565214011.db2.gz LQCCYIHFRBKJOQ-LSDHHAIUSA-N 1 3 375.460 2.519 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000617502694 565242476 /nfs/dbraw/zinc/24/24/76/565242476.db2.gz YXVRASJFYMVFIK-KSSFIOAISA-N 1 3 396.373 2.867 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000617502694 565242481 /nfs/dbraw/zinc/24/24/81/565242481.db2.gz YXVRASJFYMVFIK-KSSFIOAISA-N 1 3 396.373 2.867 20 0 GFADHO CN1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000619336808 565336791 /nfs/dbraw/zinc/33/67/91/565336791.db2.gz NURYLUGOCFTGKP-KRWDZBQOSA-N 1 3 397.361 2.617 20 0 GFADHO C[NH2+]CCCC(=O)N1CCC(NCc2ccc(C)cc2Br)CC1 ZINC000663502825 565423897 /nfs/dbraw/zinc/42/38/97/565423897.db2.gz CAOYPJIUCQEJJP-UHFFFAOYSA-N 1 3 382.346 2.838 20 0 GFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000643540896 565435702 /nfs/dbraw/zinc/43/57/02/565435702.db2.gz PDWAJXMVEAVPCQ-CBYVUKHWSA-N 1 3 399.354 2.773 20 0 GFADHO CN(C)CCC[N@H+](C)CCNc1ncnc2cc(F)c(Br)cc21 ZINC000664247809 565456467 /nfs/dbraw/zinc/45/64/67/565456467.db2.gz IOSNQHUXWYLXDL-UHFFFAOYSA-N 1 3 384.297 2.827 20 0 GFADHO CN(C)CCC[N@@H+](C)CCNc1ncnc2cc(F)c(Br)cc21 ZINC000664247809 565456472 /nfs/dbraw/zinc/45/64/72/565456472.db2.gz IOSNQHUXWYLXDL-UHFFFAOYSA-N 1 3 384.297 2.827 20 0 GFADHO O=C1CC[C@@H](NCc2cnc(-c3ccsc3)s2)[C@H](C2CC[NH2+]CC2)N1 ZINC000666912836 565562313 /nfs/dbraw/zinc/56/23/13/565562313.db2.gz DUSOIYDLMQAJKP-WBVHZDCISA-N 1 3 376.551 2.608 20 0 GFADHO Cc1c(Br)ccnc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000667168100 565574823 /nfs/dbraw/zinc/57/48/23/565574823.db2.gz VVROQBIAFHVEPF-LBPRGKRZSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1c(Br)ccnc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000667168100 565574827 /nfs/dbraw/zinc/57/48/27/565574827.db2.gz VVROQBIAFHVEPF-LBPRGKRZSA-N 1 3 386.338 2.546 20 0 GFADHO O[C@@H](CNCC1(c2ccc(Br)cc2)CCOCC1)C[NH+]1CCCC1 ZINC000629560084 565858778 /nfs/dbraw/zinc/85/87/78/565858778.db2.gz WXOKCCHXBKBDDV-SFHVURJKSA-N 1 3 397.357 2.544 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCc1cccc(Br)c1 ZINC000675454670 565903679 /nfs/dbraw/zinc/90/36/79/565903679.db2.gz NAGCOIKFKAQKQP-UHFFFAOYSA-N 1 3 384.362 2.724 20 0 GFADHO Cc1cc(Br)cn2c(CNCCC[N@H+]3CCCN(C)CC3)cnc12 ZINC000680119391 566063629 /nfs/dbraw/zinc/06/36/29/566063629.db2.gz DCZCOHIRHRRXGK-UHFFFAOYSA-N 1 3 394.361 2.522 20 0 GFADHO Cc1cc(Br)cn2c(CNCCC[N@@H+]3CCCN(C)CC3)cnc12 ZINC000680119391 566063636 /nfs/dbraw/zinc/06/36/36/566063636.db2.gz DCZCOHIRHRRXGK-UHFFFAOYSA-N 1 3 394.361 2.522 20 0 GFADHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000635007304 566188362 /nfs/dbraw/zinc/18/83/62/566188362.db2.gz VYJUZUIWCKEBOJ-QKDSSNGWSA-N 1 3 377.326 2.834 20 0 GFADHO C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824607229 609333360 /nfs/dbraw/zinc/33/33/60/609333360.db2.gz WDIKLUKPWOBJGW-OAHLLOKOSA-N 1 3 398.486 2.840 20 0 GFADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000819084757 660246064 /nfs/dbraw/zinc/24/60/64/660246064.db2.gz OONSLQJTQPEHKX-KDOFPFPSSA-N 1 3 383.330 2.573 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000824826553 660403148 /nfs/dbraw/zinc/40/31/48/660403148.db2.gz KSBPJGWDFDRADC-NSHDSACASA-N 1 3 380.842 2.756 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000824826553 660403150 /nfs/dbraw/zinc/40/31/50/660403150.db2.gz KSBPJGWDFDRADC-NSHDSACASA-N 1 3 380.842 2.756 20 0 GFADHO C[C@H]1C[C@H](NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@@H+]1C ZINC000127071590 654824130 /nfs/dbraw/zinc/82/41/30/654824130.db2.gz JXDNFXDGDNROFQ-JKSUJKDBSA-N 1 3 385.599 2.538 20 0 GFADHO C[C@H]1C[C@H](NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@H+]1C ZINC000127071590 654824132 /nfs/dbraw/zinc/82/41/32/654824132.db2.gz JXDNFXDGDNROFQ-JKSUJKDBSA-N 1 3 385.599 2.538 20 0 GFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC(F)(F)Br)CC2)CC1 ZINC000848080328 661623926 /nfs/dbraw/zinc/62/39/26/661623926.db2.gz IKQMJFKFBZBAKK-UHFFFAOYSA-N 1 3 396.320 2.629 20 0 GFADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000863549362 662336190 /nfs/dbraw/zinc/33/61/90/662336190.db2.gz BIHNVDPYYNMSER-SJORKVTESA-N 1 3 381.929 2.689 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000902319426 663759026 /nfs/dbraw/zinc/75/90/26/663759026.db2.gz LDQQKDNIYIGZLN-HNNXBMFYSA-N 1 3 387.615 2.689 20 0 GFADHO Cc1c(C[C@@H](CN)C[N@H+](C)CCc2ccc(Br)cc2)cnn1C ZINC000903890311 663810060 /nfs/dbraw/zinc/81/00/60/663810060.db2.gz BXXVOAWVHOHNOC-INIZCTEOSA-N 1 3 379.346 2.783 20 0 GFADHO Cc1c(C[C@@H](CN)C[N@@H+](C)CCc2ccc(Br)cc2)cnn1C ZINC000903890311 663810063 /nfs/dbraw/zinc/81/00/63/663810063.db2.gz BXXVOAWVHOHNOC-INIZCTEOSA-N 1 3 379.346 2.783 20 0 GFADHO CC[NH+]1CCC(NC[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000579827055 677673608 /nfs/dbraw/zinc/67/36/08/677673608.db2.gz FDVQFMQFOJBWTI-AWEZNQCLSA-N 1 3 391.737 2.916 20 0 GFADHO CCC[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000169225895 551634865 /nfs/dbraw/zinc/63/48/65/551634865.db2.gz XYZXONBGUBGEQJ-KRWDZBQOSA-N 1 3 398.345 2.536 20 0 GFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000179469407 552194147 /nfs/dbraw/zinc/19/41/47/552194147.db2.gz MWBIKCZAFOSXPB-CQSZACIVSA-N 1 3 378.318 2.935 20 0 GFADHO CC(C)N(CCO)Cc1cc(Br)ccc1C[N@H+](CCO)C(C)C ZINC000192070858 552548746 /nfs/dbraw/zinc/54/87/46/552548746.db2.gz DSOZXTXVBJGCQJ-UHFFFAOYSA-N 1 3 387.362 2.855 20 0 GFADHO CC(C)N(CCO)Cc1cc(Br)ccc1C[N@@H+](CCO)C(C)C ZINC000192070858 552548748 /nfs/dbraw/zinc/54/87/48/552548748.db2.gz DSOZXTXVBJGCQJ-UHFFFAOYSA-N 1 3 387.362 2.855 20 0 GFADHO CC(C)N(CCO)Cc1ccc(Br)cc1C[N@H+](CCO)C(C)C ZINC000192070858 552548749 /nfs/dbraw/zinc/54/87/49/552548749.db2.gz DSOZXTXVBJGCQJ-UHFFFAOYSA-N 1 3 387.362 2.855 20 0 GFADHO CC(C)N(CCO)Cc1ccc(Br)cc1C[N@@H+](CCO)C(C)C ZINC000192070858 552548750 /nfs/dbraw/zinc/54/87/50/552548750.db2.gz DSOZXTXVBJGCQJ-UHFFFAOYSA-N 1 3 387.362 2.855 20 0 GFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422789673 563350182 /nfs/dbraw/zinc/35/01/82/563350182.db2.gz BKVHAJXOMVAFRG-NKGKWGDASA-N 1 3 383.330 2.963 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900598 563350187 /nfs/dbraw/zinc/35/01/87/563350187.db2.gz QTZQCVTXBMYXKA-USJZOSNVSA-N 1 3 382.346 2.617 20 0 GFADHO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@H]1CCCCN1 ZINC000422907473 563350816 /nfs/dbraw/zinc/35/08/16/563350816.db2.gz LHOLEKLGMHEAKB-RHSMWYFYSA-N 1 3 382.346 2.918 20 0 GFADHO COC[C@@H](CCC[NH3+])N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000423057452 563353678 /nfs/dbraw/zinc/35/36/78/563353678.db2.gz ZTQIFNXNRVPJCR-PBHICJAKSA-N 1 3 398.345 2.596 20 0 GFADHO Brc1cccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423089828 563354636 /nfs/dbraw/zinc/35/46/36/563354636.db2.gz TUKMAGDYFYRIEA-GDAAHCPNSA-N 1 3 394.357 2.775 20 0 GFADHO COC[C@H](CCC[NH3+])NCc1ccc(I)cc1Cl ZINC000423092175 563354908 /nfs/dbraw/zinc/35/49/08/563354908.db2.gz AUTLBNMWVXZCLC-LBPRGKRZSA-N 1 3 382.673 2.788 20 0 GFADHO CC(C)N1CCN(CCC[NH2+][C@@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000285525683 563525224 /nfs/dbraw/zinc/52/52/24/563525224.db2.gz RYKLHXYOJRFSBP-IBGZPJMESA-N 1 3 398.389 2.662 20 0 GFADHO CCS(=O)(=O)N(C)CCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449080662 563906442 /nfs/dbraw/zinc/90/64/42/563906442.db2.gz YCVZGMZBDHKOKP-UHFFFAOYSA-N 1 3 375.623 2.927 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000449604687 564192010 /nfs/dbraw/zinc/19/20/10/564192010.db2.gz XYCMIYLPPJTABC-BBWFWOEESA-N 1 3 397.357 2.825 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000449604687 564192011 /nfs/dbraw/zinc/19/20/11/564192011.db2.gz XYCMIYLPPJTABC-BBWFWOEESA-N 1 3 397.357 2.825 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Br)c(F)cc1F ZINC000525972852 564714698 /nfs/dbraw/zinc/71/46/98/564714698.db2.gz RQMYAQROEJNDGS-UHFFFAOYSA-N 1 3 393.276 2.684 20 0 GFADHO CN(C)CC[NH+]1CCC(CNCc2ncc(Cl)cc2Br)CC1 ZINC000527654936 564752683 /nfs/dbraw/zinc/75/26/83/564752683.db2.gz XHJHCPODGHVASI-UHFFFAOYSA-N 1 3 389.769 2.861 20 0 GFADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCc1cccc(Cl)c1Cl ZINC000580714895 564771089 /nfs/dbraw/zinc/77/10/89/564771089.db2.gz NFDWNJZJSVDECK-JKSUJKDBSA-N 1 3 384.351 2.974 20 0 GFADHO COCCC[NH+]1CCC(NCCC(=O)Nc2cccc(Br)c2)CC1 ZINC000562987866 565051516 /nfs/dbraw/zinc/05/15/16/565051516.db2.gz STIFDGBFEFRZSM-UHFFFAOYSA-N 1 3 398.345 2.868 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000636160569 565094273 /nfs/dbraw/zinc/09/42/73/565094273.db2.gz FSDXHUHRNLTBDB-JTQLQIEISA-N 1 3 379.307 2.717 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000636160569 565094278 /nfs/dbraw/zinc/09/42/78/565094278.db2.gz FSDXHUHRNLTBDB-JTQLQIEISA-N 1 3 379.307 2.717 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000617504034 565243038 /nfs/dbraw/zinc/24/30/38/565243038.db2.gz FXGVXAIWNBPLTH-AWEZNQCLSA-N 1 3 380.583 2.802 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000617504034 565243042 /nfs/dbraw/zinc/24/30/42/565243042.db2.gz FXGVXAIWNBPLTH-AWEZNQCLSA-N 1 3 380.583 2.802 20 0 GFADHO CN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000619336809 565337028 /nfs/dbraw/zinc/33/70/28/565337028.db2.gz NURYLUGOCFTGKP-QGZVFWFLSA-N 1 3 397.361 2.617 20 0 GFADHO Brc1ccc([C@H](NCCCN2CC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000643496345 565434489 /nfs/dbraw/zinc/43/44/89/565434489.db2.gz BAMAJSASGDFOMC-ROUUACIJSA-N 1 3 382.346 2.554 20 0 GFADHO CN(C)CC[N@H+](C)CCCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000623088095 565494814 /nfs/dbraw/zinc/49/48/14/565494814.db2.gz WEDZVFHRMFCAIA-UHFFFAOYSA-N 1 3 394.361 2.812 20 0 GFADHO CN(C)CC[N@@H+](C)CCCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000623088095 565494820 /nfs/dbraw/zinc/49/48/20/565494820.db2.gz WEDZVFHRMFCAIA-UHFFFAOYSA-N 1 3 394.361 2.812 20 0 GFADHO CN(CCCNCc1nc(-c2cccc(Br)c2)c[nH]1)CC[NH+](C)C ZINC000623088095 565494824 /nfs/dbraw/zinc/49/48/24/565494824.db2.gz WEDZVFHRMFCAIA-UHFFFAOYSA-N 1 3 394.361 2.812 20 0 GFADHO CCCN(C)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655930749 566097174 /nfs/dbraw/zinc/09/71/74/566097174.db2.gz UBARLQKNQWZNEU-ZIAGYGMSSA-N 1 3 380.842 2.912 20 0 GFADHO CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736453522 598916970 /nfs/dbraw/zinc/91/69/70/598916970.db2.gz PIOPRAYAAGSZLX-UHFFFAOYSA-N 1 3 399.543 2.639 20 0 GFADHO CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736453522 598916972 /nfs/dbraw/zinc/91/69/72/598916972.db2.gz PIOPRAYAAGSZLX-UHFFFAOYSA-N 1 3 399.543 2.639 20 0 GFADHO CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736453522 598916974 /nfs/dbraw/zinc/91/69/74/598916974.db2.gz PIOPRAYAAGSZLX-UHFFFAOYSA-N 1 3 399.543 2.639 20 0 GFADHO CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736453522 598916975 /nfs/dbraw/zinc/91/69/75/598916975.db2.gz PIOPRAYAAGSZLX-UHFFFAOYSA-N 1 3 399.543 2.639 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000844937866 661450059 /nfs/dbraw/zinc/45/00/59/661450059.db2.gz YTBBPUKUGUYXQW-CQSZACIVSA-N 1 3 391.387 2.818 20 0 GFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(Br)nc3)CC2)CC1 ZINC000847587076 661599813 /nfs/dbraw/zinc/59/98/13/661599813.db2.gz BXNZMAMPPMJVKG-UHFFFAOYSA-N 1 3 395.345 2.979 20 0 GFADHO C[N@@H+]1CCCN(CCCNCc2nc(Cl)ccc2Br)CC1 ZINC000882985123 663046034 /nfs/dbraw/zinc/04/60/34/663046034.db2.gz IHBZBRXYIYOZPT-UHFFFAOYSA-N 1 3 375.742 2.615 20 0 GFADHO C[N@H+]1CCCN(CCCNCc2nc(Cl)ccc2Br)CC1 ZINC000882985123 663046037 /nfs/dbraw/zinc/04/60/37/663046037.db2.gz IHBZBRXYIYOZPT-UHFFFAOYSA-N 1 3 375.742 2.615 20 0 GFADHO COCC[C@H](N)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000884308537 663068552 /nfs/dbraw/zinc/06/85/52/663068552.db2.gz UMDSUPMAJLTWFL-INIZCTEOSA-N 1 3 376.328 2.638 20 0 GFADHO CN1CC[NH+](CCCNCc2c(F)c(Cl)ccc2Br)CC1 ZINC000893323530 663407174 /nfs/dbraw/zinc/40/71/74/663407174.db2.gz FPFHBHQWGLYQHH-UHFFFAOYSA-N 1 3 378.717 2.969 20 0 GFADHO [NH3+]CCCOC1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923296887 664627677 /nfs/dbraw/zinc/62/76/77/664627677.db2.gz KJPYDSLMJUQUTN-ZDUSSCGKSA-N 1 3 377.312 2.563 20 0 GFADHO C[C@@H](N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1nc(Br)ccc1F ZINC000925043470 664665902 /nfs/dbraw/zinc/66/59/02/664665902.db2.gz YQNRINDRSSFSAY-OLZOCXBDSA-N 1 3 385.325 2.802 20 0 GFADHO C[C@@H](N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1nc(Br)ccc1F ZINC000925043470 664665906 /nfs/dbraw/zinc/66/59/06/664665906.db2.gz YQNRINDRSSFSAY-OLZOCXBDSA-N 1 3 385.325 2.802 20 0 GFADHO COc1ccc([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Br ZINC000925853701 664676012 /nfs/dbraw/zinc/67/60/12/664676012.db2.gz KOTQVCLOLSYVSK-OCCSQVGLSA-N 1 3 397.313 2.794 20 0 GFADHO C[N@@H+]1CC[C@@H]2CN([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]2C1 ZINC000931442234 664795124 /nfs/dbraw/zinc/79/51/24/664795124.db2.gz ZGEZNOXZWZJCTA-JKIFEVAISA-N 1 3 378.314 2.586 20 0 GFADHO C[N@H+]1CC[C@@H]2CN([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]2C1 ZINC000931442234 664795125 /nfs/dbraw/zinc/79/51/25/664795125.db2.gz ZGEZNOXZWZJCTA-JKIFEVAISA-N 1 3 378.314 2.586 20 0 GFADHO C[NH+]1CCC(Oc2ccnc(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)c2)CC1 ZINC001164784313 721434989 /nfs/dbraw/zinc/43/49/89/721434989.db2.gz LAZBAYRWLKWZOX-IAGOWNOFSA-N 1 3 399.564 2.579 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(F)cc(Br)c3)CC2)CC1 ZINC000050798093 551161461 /nfs/dbraw/zinc/16/14/61/551161461.db2.gz JMNZZPHYOQEDIO-UHFFFAOYSA-N 1 3 398.320 2.877 20 0 GFADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418584579 563220635 /nfs/dbraw/zinc/22/06/35/563220635.db2.gz CFRIFFVPGKOHPI-PBHICJAKSA-N 1 3 397.361 2.520 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418589148 563220797 /nfs/dbraw/zinc/22/07/97/563220797.db2.gz SKNATSCXIJYDJN-SJORKVTESA-N 1 3 397.361 2.792 20 0 GFADHO CCOC(=O)C1([C@H](C)NCc2cc(OC)ccc2Br)CC[NH2+]CC1 ZINC000422943548 563351507 /nfs/dbraw/zinc/35/15/07/563351507.db2.gz YCXHWRNGABDSNS-ZDUSSCGKSA-N 1 3 399.329 2.869 20 0 GFADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000430966247 563551070 /nfs/dbraw/zinc/55/10/70/563551070.db2.gz OGXNYCGKNNVILR-ZIAGYGMSSA-N 1 3 382.346 2.855 20 0 GFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414282557 563724836 /nfs/dbraw/zinc/72/48/36/563724836.db2.gz HQOQEQMQSGYJIH-HUUCEWRRSA-N 1 3 387.977 2.835 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000414827270 563753384 /nfs/dbraw/zinc/75/33/84/563753384.db2.gz KGEAXWLSPRMRGS-OAHLLOKOSA-N 1 3 394.357 2.951 20 0 GFADHO CNC[C@H](C)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414833724 563753831 /nfs/dbraw/zinc/75/38/31/563753831.db2.gz GSIAYVDBYNSWGF-ZDUSSCGKSA-N 1 3 382.346 2.807 20 0 GFADHO C[NH2+]C[C@H](C)CNC1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414833724 563753836 /nfs/dbraw/zinc/75/38/36/563753836.db2.gz GSIAYVDBYNSWGF-ZDUSSCGKSA-N 1 3 382.346 2.807 20 0 GFADHO COCC1(CNCc2cn(-c3cccc(Cl)c3Cl)nn2)CC[NH2+]CC1 ZINC000414972935 563755424 /nfs/dbraw/zinc/75/54/24/563755424.db2.gz KKJRWTZQAJRYSC-UHFFFAOYSA-N 1 3 384.311 2.680 20 0 GFADHO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443062702 563790277 /nfs/dbraw/zinc/79/02/77/563790277.db2.gz VCRMDSDVKBWMCT-GJZGRUSLSA-N 1 3 382.346 2.857 20 0 GFADHO [NH3+]CC[C@@H](NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C(F)(F)F ZINC000415997224 563801888 /nfs/dbraw/zinc/80/18/88/563801888.db2.gz RBPRTBPJOFFQJK-TZMCWYRMSA-N 1 3 378.464 2.539 20 0 GFADHO CN1CCC(N(Cc2ccccc2Br)C(=O)/C=C/C[NH+](C)C)CC1 ZINC000368186075 563866400 /nfs/dbraw/zinc/86/64/00/563866400.db2.gz OYLMYQZTHYWBBX-RMKNXTFCSA-N 1 3 394.357 2.990 20 0 GFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474724607 564286807 /nfs/dbraw/zinc/28/68/07/564286807.db2.gz BZRKJYQQFUWZFI-IXDOHACOSA-N 1 3 386.005 2.873 20 0 GFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Br)s1 ZINC000525962792 564714494 /nfs/dbraw/zinc/71/44/94/564714494.db2.gz IXIJQFIRTZMRJF-GFCCVEGCSA-N 1 3 391.379 2.706 20 0 GFADHO CC1CC[NH+](C[C@H](O)CN[C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555550145 564797782 /nfs/dbraw/zinc/79/77/82/564797782.db2.gz JQPXOKKFZLNTJL-DLBZAZTESA-N 1 3 381.358 2.989 20 0 GFADHO CN1CCN(CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1(C)C ZINC000555586895 564798590 /nfs/dbraw/zinc/79/85/90/564798590.db2.gz JXWINBWPZCLZBI-MRXNPFEDSA-N 1 3 380.374 2.922 20 0 GFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000582296308 564839933 /nfs/dbraw/zinc/83/99/33/564839933.db2.gz DNLFXTHCFIPMFP-ARFHVFGLSA-N 1 3 389.309 2.790 20 0 GFADHO O=C(C[C@H]1CSCC[NH2+]1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000583747575 564906132 /nfs/dbraw/zinc/90/61/32/564906132.db2.gz IABNPTKQZAPYLD-SFHVURJKSA-N 1 3 381.973 2.860 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCc1ccc(Br)s1 ZINC000531358033 564907814 /nfs/dbraw/zinc/90/78/14/564907814.db2.gz YVBFSKQGOCXYLR-UHFFFAOYSA-N 1 3 390.391 2.785 20 0 GFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(Br)cc1 ZINC000499524116 564929976 /nfs/dbraw/zinc/92/99/76/564929976.db2.gz UJBGLGPQGHUKED-SFHVURJKSA-N 1 3 396.373 2.866 20 0 GFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(Br)cc1 ZINC000499524116 564929982 /nfs/dbraw/zinc/92/99/82/564929982.db2.gz UJBGLGPQGHUKED-SFHVURJKSA-N 1 3 396.373 2.866 20 0 GFADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466023 565422726 /nfs/dbraw/zinc/42/27/26/565422726.db2.gz NDBNINFGEIDZME-GOEBONIOSA-N 1 3 382.346 2.711 20 0 GFADHO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H]1CNCCO1 ZINC000645746561 565558564 /nfs/dbraw/zinc/55/85/64/565558564.db2.gz VGITVNQDTDQTMI-HNNXBMFYSA-N 1 3 388.339 2.652 20 0 GFADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cc(F)c(Br)cc1F ZINC000629650805 565864789 /nfs/dbraw/zinc/86/47/89/565864789.db2.gz FDKINWDAHNKRMS-WDEREUQCSA-N 1 3 390.272 2.575 20 0 GFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631042598 565935590 /nfs/dbraw/zinc/93/55/90/565935590.db2.gz JSLLZXRBLKBEBF-HUUCEWRRSA-N 1 3 387.977 2.835 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000607224946 565981730 /nfs/dbraw/zinc/98/17/30/565981730.db2.gz DXDXVNPACJAIAY-UHFFFAOYSA-N 1 3 375.344 2.671 20 0 GFADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000092615701 655014904 /nfs/dbraw/zinc/01/49/04/655014904.db2.gz AYFQVHFVIHCGGA-UHFFFAOYSA-N 1 3 378.567 2.761 20 0 GFADHO CN(Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000277329176 655313344 /nfs/dbraw/zinc/31/33/44/655313344.db2.gz CNWAYGMPZXTLHR-ROUUACIJSA-N 1 3 383.330 2.891 20 0 GFADHO CN(Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000277329176 655313347 /nfs/dbraw/zinc/31/33/47/655313347.db2.gz CNWAYGMPZXTLHR-ROUUACIJSA-N 1 3 383.330 2.891 20 0 GFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)cc2)CC1 ZINC000775377425 656633641 /nfs/dbraw/zinc/63/36/41/656633641.db2.gz WYYSKUOSHPTOKS-VAMGGRTRSA-N 1 3 377.623 2.903 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855346221 661987114 /nfs/dbraw/zinc/98/71/14/661987114.db2.gz RZEZDRCTEQZTNU-SUMWQHHRSA-N 1 3 390.355 2.805 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855346221 661987116 /nfs/dbraw/zinc/98/71/16/661987116.db2.gz RZEZDRCTEQZTNU-SUMWQHHRSA-N 1 3 390.355 2.805 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000855347090 661987135 /nfs/dbraw/zinc/98/71/35/661987135.db2.gz SNVGASZHJOCGPH-NSHDSACASA-N 1 3 380.842 2.756 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000855347090 661987139 /nfs/dbraw/zinc/98/71/39/661987139.db2.gz SNVGASZHJOCGPH-NSHDSACASA-N 1 3 380.842 2.756 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000855344229 661987421 /nfs/dbraw/zinc/98/74/21/661987421.db2.gz CRBQOUIYWDPFSD-LBPRGKRZSA-N 1 3 386.327 2.643 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000855344229 661987424 /nfs/dbraw/zinc/98/74/24/661987424.db2.gz CRBQOUIYWDPFSD-LBPRGKRZSA-N 1 3 386.327 2.643 20 0 GFADHO CN(CCCCCC[NH3+])CC(=O)N(C)Cc1cc(Br)cs1 ZINC000872155501 662757056 /nfs/dbraw/zinc/75/70/56/662757056.db2.gz NBTFMCGFDHMFEJ-UHFFFAOYSA-N 1 3 376.364 2.920 20 0 GFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000892574541 663377655 /nfs/dbraw/zinc/37/76/55/663377655.db2.gz LSTYSMOXIBFXQM-CQSZACIVSA-N 1 3 397.361 2.523 20 0 GFADHO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000894254511 663451224 /nfs/dbraw/zinc/45/12/24/663451224.db2.gz SOLVLNMQMHHEFF-UHFFFAOYSA-N 1 3 397.361 2.523 20 0 GFADHO Brc1ccc(OCCCCN2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000903750100 663805754 /nfs/dbraw/zinc/80/57/54/663805754.db2.gz USIRKDRWLIAVFQ-KRWDZBQOSA-N 1 3 382.346 2.588 20 0 GFADHO O=C1O[C@H](CN[C@@H]2CCc3c2ccc(F)c3Br)CC12CC[NH2+]CC2 ZINC000925848118 664675725 /nfs/dbraw/zinc/67/57/25/664675725.db2.gz AFGMAKSJCFXDAJ-XHDPSFHLSA-N 1 3 397.288 2.850 20 0 GFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164816080 720164295 /nfs/dbraw/zinc/16/42/95/720164295.db2.gz KGLNPPAWRYYBCW-JTHBVZDNSA-N 1 3 384.568 2.862 20 0 GFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164816080 720164303 /nfs/dbraw/zinc/16/43/03/720164303.db2.gz KGLNPPAWRYYBCW-JTHBVZDNSA-N 1 3 384.568 2.862 20 0 GFADHO Cn1ccc2c1cc[nH+]c2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982362 722107541 /nfs/dbraw/zinc/10/75/41/722107541.db2.gz NZCNGVGWOZPRFT-RXVVDRJESA-N 1 3 377.492 2.696 20 0 GFADHO CN(Cc1cc(Br)ccc1Cl)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414748957 563751961 /nfs/dbraw/zinc/75/19/61/563751961.db2.gz VMAOCXCWLVWEFK-LBPRGKRZSA-N 1 3 388.737 2.732 20 0 GFADHO OCCN1CCN(CCCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000154696622 551481067 /nfs/dbraw/zinc/48/10/67/551481067.db2.gz KDCOIHBYHIHCIF-IBGZPJMESA-N 1 3 386.367 2.960 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3SCCc4sccc43)CC2)CC1 ZINC000172929817 551690112 /nfs/dbraw/zinc/69/01/12/551690112.db2.gz UPMVVZVDXFTLDW-SFHVURJKSA-N 1 3 379.595 2.753 20 0 GFADHO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182958692 552296921 /nfs/dbraw/zinc/29/69/21/552296921.db2.gz ATGRVIVEZINVOJ-AWEZNQCLSA-N 1 3 387.355 2.890 20 0 GFADHO C[C@H]([NH3+])[C@H](C)NC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000418697677 563223031 /nfs/dbraw/zinc/22/30/31/563223031.db2.gz MEUIWZXRYNYJMR-KBPBESRZSA-N 1 3 397.361 2.791 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418787396 563225780 /nfs/dbraw/zinc/22/57/80/563225780.db2.gz JQSORZULUWSIMN-RDJZCZTQSA-N 1 3 397.361 2.650 20 0 GFADHO CCOC(=O)C1([C@@H](C)NCc2ccc(Br)s2)CC[NH2+]CC1 ZINC000422945396 563351512 /nfs/dbraw/zinc/35/15/12/563351512.db2.gz ULKPSUSHBUZXPN-LLVKDONJSA-N 1 3 375.332 2.922 20 0 GFADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1 ZINC000423377882 563360596 /nfs/dbraw/zinc/36/05/96/563360596.db2.gz FQBSOLKXTZALPA-SMDDNHRTSA-N 1 3 380.252 2.936 20 0 GFADHO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430966246 563550955 /nfs/dbraw/zinc/55/09/55/563550955.db2.gz OGXNYCGKNNVILR-UONOGXRCSA-N 1 3 382.346 2.855 20 0 GFADHO CC(=O)NCCN(Cc1ccc(Br)s1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414769824 563753031 /nfs/dbraw/zinc/75/30/31/563753031.db2.gz XJDZIZCJNWCWLZ-GXTWGEPZSA-N 1 3 388.375 2.837 20 0 GFADHO CNC[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414833719 563753872 /nfs/dbraw/zinc/75/38/72/563753872.db2.gz GSIAYVDBYNSWGF-CYBMUJFWSA-N 1 3 382.346 2.807 20 0 GFADHO C[NH2+]C[C@@H](C)CNC1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414833719 563753875 /nfs/dbraw/zinc/75/38/75/563753875.db2.gz GSIAYVDBYNSWGF-CYBMUJFWSA-N 1 3 382.346 2.807 20 0 GFADHO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443062701 563790156 /nfs/dbraw/zinc/79/01/56/563790156.db2.gz VCRMDSDVKBWMCT-CABCVRRESA-N 1 3 382.346 2.857 20 0 GFADHO CN(C)[C@@]1(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCSC1 ZINC000415952468 563801416 /nfs/dbraw/zinc/80/14/16/563801416.db2.gz HIMWODNIYXMTNS-OAHLLOKOSA-N 1 3 376.448 2.723 20 0 GFADHO [NH3+]CC[C@@H](NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C(F)(F)F ZINC000415997221 563802008 /nfs/dbraw/zinc/80/20/08/563802008.db2.gz RBPRTBPJOFFQJK-GXTWGEPZSA-N 1 3 378.464 2.539 20 0 GFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000564798514 564249583 /nfs/dbraw/zinc/24/95/83/564249583.db2.gz YXKIWUKBXVCEGE-UONOGXRCSA-N 1 3 385.350 2.648 20 0 GFADHO C[C@@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)CN1CCCC1 ZINC000569715484 564474991 /nfs/dbraw/zinc/47/49/91/564474991.db2.gz MDAMQJJPXNFRFU-BBRMVZONSA-N 1 3 389.309 2.649 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(Br)c1F ZINC000570143173 564493654 /nfs/dbraw/zinc/49/36/54/564493654.db2.gz NSFOMFJCPRNRJK-UHFFFAOYSA-N 1 3 393.276 2.684 20 0 GFADHO C[C@@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000519450737 564577654 /nfs/dbraw/zinc/57/76/54/564577654.db2.gz JEBRMZRUNGMBQU-HNNXBMFYSA-N 1 3 399.377 2.863 20 0 GFADHO Cc1cc(Br)cc(C)c1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524931468 564690570 /nfs/dbraw/zinc/69/05/70/564690570.db2.gz JPGCMJGVARFEIS-UHFFFAOYSA-N 1 3 399.377 2.701 20 0 GFADHO CN1CCC[N@H+](CCCNCc2ccc(Br)c(F)c2F)CC1 ZINC000527655182 564753216 /nfs/dbraw/zinc/75/32/16/564753216.db2.gz YVKYBOVCUCSWJH-UHFFFAOYSA-N 1 3 376.289 2.845 20 0 GFADHO CN1CCC[N@@H+](CCCNCc2ccc(Br)c(F)c2F)CC1 ZINC000527655182 564753220 /nfs/dbraw/zinc/75/32/20/564753220.db2.gz YVKYBOVCUCSWJH-UHFFFAOYSA-N 1 3 376.289 2.845 20 0 GFADHO C[N@@H+]1CCCN(CCCNCc2ccc(Br)c(F)c2F)CC1 ZINC000527655182 564753225 /nfs/dbraw/zinc/75/32/25/564753225.db2.gz YVKYBOVCUCSWJH-UHFFFAOYSA-N 1 3 376.289 2.845 20 0 GFADHO C[N@H+]1CCCN(CCCNCc2ccc(Br)c(F)c2F)CC1 ZINC000527655182 564753227 /nfs/dbraw/zinc/75/32/27/564753227.db2.gz YVKYBOVCUCSWJH-UHFFFAOYSA-N 1 3 376.289 2.845 20 0 GFADHO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000581801513 564818703 /nfs/dbraw/zinc/81/87/03/564818703.db2.gz ILVZZJHJUQKZEH-MPTYRVRUSA-N 1 3 385.961 2.677 20 0 GFADHO Cc1nn(-c2ccc(Br)cc2)cc1CNCCOCC[NH+](C)C ZINC000499250948 564922138 /nfs/dbraw/zinc/92/21/38/564922138.db2.gz MSUZWXAWTITBEY-UHFFFAOYSA-N 1 3 381.318 2.611 20 0 GFADHO CN1CCC[N@H+](CCCNCC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000591718874 565237782 /nfs/dbraw/zinc/23/77/82/565237782.db2.gz KKFKQQJKVTYQNQ-UHFFFAOYSA-N 1 3 394.357 2.842 20 0 GFADHO CN1CCC[N@@H+](CCCNCC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000591718874 565237786 /nfs/dbraw/zinc/23/77/86/565237786.db2.gz KKFKQQJKVTYQNQ-UHFFFAOYSA-N 1 3 394.357 2.842 20 0 GFADHO Cc1c(F)c(Br)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617502126 565242208 /nfs/dbraw/zinc/24/22/08/565242208.db2.gz CYDAMHDFGASNLY-LBPRGKRZSA-N 1 3 388.325 2.898 20 0 GFADHO Cc1c(F)c(Br)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617502126 565242211 /nfs/dbraw/zinc/24/22/11/565242211.db2.gz CYDAMHDFGASNLY-LBPRGKRZSA-N 1 3 388.325 2.898 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1ccccc1Br ZINC000617504952 565243174 /nfs/dbraw/zinc/24/31/74/565243174.db2.gz QPXOSRYQOBGUTK-HNNXBMFYSA-N 1 3 384.362 2.770 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1ccccc1Br ZINC000617504952 565243176 /nfs/dbraw/zinc/24/31/76/565243176.db2.gz QPXOSRYQOBGUTK-HNNXBMFYSA-N 1 3 384.362 2.770 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641050378 565343820 /nfs/dbraw/zinc/34/38/20/565343820.db2.gz CADOEKRLRVSFSU-KRWDZBQOSA-N 1 3 397.361 2.664 20 0 GFADHO CN1CCC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000662743935 565383434 /nfs/dbraw/zinc/38/34/34/565383434.db2.gz ABHOXHHFZXZZNT-XNRPHZJLSA-N 1 3 375.460 2.789 20 0 GFADHO NC1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCOCC1 ZINC000629389621 565849023 /nfs/dbraw/zinc/84/90/23/565849023.db2.gz PBOOFOSWXVYJIC-UHFFFAOYSA-N 1 3 382.346 2.511 20 0 GFADHO [NH3+]C1(CNC2CCN(Cc3ccccc3Br)CC2)CCOCC1 ZINC000629389621 565849029 /nfs/dbraw/zinc/84/90/29/565849029.db2.gz PBOOFOSWXVYJIC-UHFFFAOYSA-N 1 3 382.346 2.511 20 0 GFADHO O[C@H](CNCCCOc1ncc(C(F)(F)F)cc1Cl)C[NH+]1CCCC1 ZINC000629573497 565860388 /nfs/dbraw/zinc/86/03/88/565860388.db2.gz DIFVMFPKAXGLDI-CYBMUJFWSA-N 1 3 381.826 2.569 20 0 GFADHO CCCN(C)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655930748 566096121 /nfs/dbraw/zinc/09/61/21/566096121.db2.gz UBARLQKNQWZNEU-UONOGXRCSA-N 1 3 380.842 2.912 20 0 GFADHO CC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(I)cc1 ZINC000610803917 566100312 /nfs/dbraw/zinc/10/03/12/566100312.db2.gz DWFXZQNDJVLDSP-HOTGVXAUSA-N 1 3 388.293 2.789 20 0 GFADHO COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1-c1nnn[n-]1 ZINC000821818087 599397115 /nfs/dbraw/zinc/39/71/15/599397115.db2.gz KONLRVQNSSWEFT-UHFFFAOYSA-N 1 3 378.480 2.761 20 0 GFADHO C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824607226 609333430 /nfs/dbraw/zinc/33/34/30/609333430.db2.gz WDIKLUKPWOBJGW-HNNXBMFYSA-N 1 3 398.486 2.840 20 0 GFADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000819083592 660245840 /nfs/dbraw/zinc/24/58/40/660245840.db2.gz BRKYWWWJVAQOBL-KDOFPFPSSA-N 1 3 383.330 2.573 20 0 GFADHO COCC[C@@H](N)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000884308132 663068544 /nfs/dbraw/zinc/06/85/44/663068544.db2.gz GJOZXKKXFXZPIF-QGZVFWFLSA-N 1 3 388.339 2.782 20 0 GFADHO Cc1c(C[C@H](CN)C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)cnn1C ZINC000903936355 663812764 /nfs/dbraw/zinc/81/27/64/663812764.db2.gz ZOWVJNMXUTXRHC-PSVFENSKSA-N 1 3 389.341 2.536 20 0 GFADHO Cc1c(C[C@H](C[NH3+])CN[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)cnn1C ZINC000903936355 663812766 /nfs/dbraw/zinc/81/27/66/663812766.db2.gz ZOWVJNMXUTXRHC-PSVFENSKSA-N 1 3 389.341 2.536 20 0 GFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3c1CCNC3)C2 ZINC001164820213 720155305 /nfs/dbraw/zinc/15/53/05/720155305.db2.gz ZSYSUMONQMSZJF-KKSFZXQISA-N 1 3 390.959 2.565 20 0 GFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3c1CCNC3)C2 ZINC001164820213 720155310 /nfs/dbraw/zinc/15/53/10/720155310.db2.gz ZSYSUMONQMSZJF-KKSFZXQISA-N 1 3 390.959 2.565 20 0 GFADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CCN3C2)c1 ZINC001164867269 721113673 /nfs/dbraw/zinc/11/36/73/721113673.db2.gz XPAJIHDJLRQIOX-NHCUHLMSSA-N 1 3 379.508 2.557 20 0 GFADHO OCCN1CCN(CCCC[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000168953999 551634772 /nfs/dbraw/zinc/63/47/72/551634772.db2.gz YEHWBCNCNDMCMT-SFHVURJKSA-N 1 3 383.989 2.857 20 0 GFADHO C[NH+](C)C1CCN(CCNCC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000176989783 552149012 /nfs/dbraw/zinc/14/90/12/552149012.db2.gz MLWGBHGHYCOTAW-UHFFFAOYSA-N 1 3 394.357 2.841 20 0 GFADHO CCOC(=O)C1([C@@H](C)NCc2sccc2Br)CC[NH2+]CC1 ZINC000422935872 563350884 /nfs/dbraw/zinc/35/08/84/563350884.db2.gz AYDHFQOKJCPMSH-LLVKDONJSA-N 1 3 375.332 2.922 20 0 GFADHO CC[NH2+]CCNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000418315912 563215856 /nfs/dbraw/zinc/21/58/56/563215856.db2.gz IUYFUDLFVLHUDI-UHFFFAOYSA-N 1 3 397.361 2.664 20 0 GFADHO C[C@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418693477 563222642 /nfs/dbraw/zinc/22/26/42/563222642.db2.gz UMQUXIDBNQIYCQ-CQSZACIVSA-N 1 3 385.350 2.650 20 0 GFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCC(=O)N(C)Cc1ccccc1Br ZINC000422903325 563349873 /nfs/dbraw/zinc/34/98/73/563349873.db2.gz FKTABZONPIYRQM-PBHICJAKSA-N 1 3 382.346 2.775 20 0 GFADHO CCOC(=O)C1([C@@H](C)NCc2cc(OC)ccc2Br)CC[NH2+]CC1 ZINC000422943547 563351869 /nfs/dbraw/zinc/35/18/69/563351869.db2.gz YCXHWRNGABDSNS-CYBMUJFWSA-N 1 3 399.329 2.869 20 0 GFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1Br ZINC000423451219 563361578 /nfs/dbraw/zinc/36/15/78/563361578.db2.gz IFMBLUFXFYFABL-ONUMYQOESA-N 1 3 398.320 2.886 20 0 GFADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000376804014 563454845 /nfs/dbraw/zinc/45/48/45/563454845.db2.gz XZCQMZJJVBXFKA-MRXNPFEDSA-N 1 3 385.599 2.754 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741679 563751968 /nfs/dbraw/zinc/75/19/68/563751968.db2.gz FMEVWRSVOYKDEA-ZFWWWQNUSA-N 1 3 386.323 2.644 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741679 563751971 /nfs/dbraw/zinc/75/19/71/563751971.db2.gz FMEVWRSVOYKDEA-ZFWWWQNUSA-N 1 3 386.323 2.644 20 0 GFADHO COCC1(CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[NH2+]CC1 ZINC000414977106 563756299 /nfs/dbraw/zinc/75/62/99/563756299.db2.gz QLUQXJFGGXBPAA-UHFFFAOYSA-N 1 3 384.311 2.680 20 0 GFADHO C[C@@H](C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1)c1cccc(Br)c1 ZINC000415102697 563759417 /nfs/dbraw/zinc/75/94/17/563759417.db2.gz CQVXYRGAKRXPLF-SUMWQHHRSA-N 1 3 378.318 2.940 20 0 GFADHO C[C@@H](C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1)c1cccc(Br)c1 ZINC000415102697 563759420 /nfs/dbraw/zinc/75/94/20/563759420.db2.gz CQVXYRGAKRXPLF-SUMWQHHRSA-N 1 3 378.318 2.940 20 0 GFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415990034 563801252 /nfs/dbraw/zinc/80/12/52/563801252.db2.gz BVHLJPSIKFRTOU-AWEZNQCLSA-N 1 3 380.842 2.693 20 0 GFADHO CSc1ccc([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000416038793 563803962 /nfs/dbraw/zinc/80/39/62/563803962.db2.gz FKLXBAHRCRFXGK-UONOGXRCSA-N 1 3 378.464 2.590 20 0 GFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(Br)c1 ZINC000505731523 564188353 /nfs/dbraw/zinc/18/83/53/564188353.db2.gz NSQQGHOHRWHFPU-KRWDZBQOSA-N 1 3 382.346 2.937 20 0 GFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(Br)c1 ZINC000505731523 564188358 /nfs/dbraw/zinc/18/83/58/564188358.db2.gz NSQQGHOHRWHFPU-KRWDZBQOSA-N 1 3 382.346 2.937 20 0 GFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000486066111 564637491 /nfs/dbraw/zinc/63/74/91/564637491.db2.gz UMRSVJGTJKPCCO-WMLDXEAASA-N 1 3 382.346 2.537 20 0 GFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000486066111 564637495 /nfs/dbraw/zinc/63/74/95/564637495.db2.gz UMRSVJGTJKPCCO-WMLDXEAASA-N 1 3 382.346 2.537 20 0 GFADHO Brc1cccc2c1C[C@@H](NCc1nnc(C3CC[NH2+]CC3)[nH]1)CC2 ZINC000580304428 564755592 /nfs/dbraw/zinc/75/55/92/564755592.db2.gz FKPZCSCGSYAUIG-AWEZNQCLSA-N 1 3 390.329 2.681 20 0 GFADHO CN1CCC(C[NH2+]Cc2ccsc2C(F)(F)F)(N2CCOCC2)CC1 ZINC000527721976 564758248 /nfs/dbraw/zinc/75/82/48/564758248.db2.gz WIVGRLBQRRDFGK-UHFFFAOYSA-N 1 3 377.476 2.653 20 0 GFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1cc(F)cc(Br)c1 ZINC000582296602 564839959 /nfs/dbraw/zinc/83/99/59/564839959.db2.gz OVHIVDDCSAPCQX-MRXNPFEDSA-N 1 3 387.293 2.544 20 0 GFADHO CC[NH+]1CCC(NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000532235245 564932095 /nfs/dbraw/zinc/93/20/95/564932095.db2.gz UMYKYVXMWPESRO-UHFFFAOYSA-N 1 3 385.599 2.539 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000617504477 565242847 /nfs/dbraw/zinc/24/28/47/565242847.db2.gz XOMAKZYUAHZBPI-HNNXBMFYSA-N 1 3 396.373 2.869 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000617504477 565242849 /nfs/dbraw/zinc/24/28/49/565242849.db2.gz XOMAKZYUAHZBPI-HNNXBMFYSA-N 1 3 396.373 2.869 20 0 GFADHO C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cccc(Br)c1 ZINC000617507898 565243680 /nfs/dbraw/zinc/24/36/80/565243680.db2.gz NYDKVQQMUVJUSJ-LSDHHAIUSA-N 1 3 384.362 2.941 20 0 GFADHO C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cccc(Br)c1 ZINC000617507898 565243685 /nfs/dbraw/zinc/24/36/85/565243685.db2.gz NYDKVQQMUVJUSJ-LSDHHAIUSA-N 1 3 384.362 2.941 20 0 GFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000644532054 565480168 /nfs/dbraw/zinc/48/01/68/565480168.db2.gz XCVUKBNMRLYSCH-RDJZCZTQSA-N 1 3 385.346 2.899 20 0 GFADHO COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826157675 608420495 /nfs/dbraw/zinc/42/04/95/608420495.db2.gz GTAARNRSRPOIRJ-UHFFFAOYSA-N 1 3 390.507 2.576 20 0 GFADHO COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826157675 608420496 /nfs/dbraw/zinc/42/04/96/608420496.db2.gz GTAARNRSRPOIRJ-UHFFFAOYSA-N 1 3 390.507 2.576 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000836278090 660898048 /nfs/dbraw/zinc/89/80/48/660898048.db2.gz IQRADXFOUQLJOL-KRWDZBQOSA-N 1 3 391.387 2.818 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000844937865 661450077 /nfs/dbraw/zinc/45/00/77/661450077.db2.gz YTBBPUKUGUYXQW-AWEZNQCLSA-N 1 3 391.387 2.818 20 0 GFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(Br)c1 ZINC000849098182 661692024 /nfs/dbraw/zinc/69/20/24/661692024.db2.gz FZQQOJDHJPVXSK-ZFWWWQNUSA-N 1 3 383.334 2.815 20 0 GFADHO C[NH+](C)Cc1cc(CNC(=O)[C@H](N)c2cccc(Br)c2)ccc1F ZINC000870889074 662705765 /nfs/dbraw/zinc/70/57/65/662705765.db2.gz VOQHOVGHBCOTOT-QGZVFWFLSA-N 1 3 394.288 2.966 20 0 GFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2COc3cccc(Br)c3C2)CC1 ZINC000877758513 662882958 /nfs/dbraw/zinc/88/29/58/662882958.db2.gz GKFYSKBKIVRWAM-AWEZNQCLSA-N 1 3 383.330 2.578 20 0 GFADHO Cc1c(C[C@@H](CN)C[NH2+]CC2(c3cccc(Br)c3)CC2)cnn1C ZINC000903924684 663811918 /nfs/dbraw/zinc/81/19/18/663811918.db2.gz HACCVJZLWOWRTN-HNNXBMFYSA-N 1 3 391.357 2.930 20 0 GFADHO c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)cn2)c1 ZINC001164724404 720480404 /nfs/dbraw/zinc/48/04/04/720480404.db2.gz FYTIEVCJXAMKIY-VXKWHMMOSA-N 1 3 393.535 2.708 20 0 GFADHO c1cncc(CN2CC[C@H]3[C@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)cn2)c1 ZINC001164724406 720481871 /nfs/dbraw/zinc/48/18/71/720481871.db2.gz FYTIEVCJXAMKIY-YADHBBJMSA-N 1 3 393.535 2.708 20 0 GFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)ccc1CN1CCCC1 ZINC001164924306 721867786 /nfs/dbraw/zinc/86/77/86/721867786.db2.gz KSJZEPGZKUPEBQ-ZWKOTPCHSA-N 1 3 377.964 2.545 20 0 GFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)ccc1CN1CCCC1 ZINC001164924306 721867789 /nfs/dbraw/zinc/86/77/89/721867789.db2.gz KSJZEPGZKUPEBQ-ZWKOTPCHSA-N 1 3 377.964 2.545 20 0 GFADHO CC(=O)NCCN(Cc1ccc(Br)s1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414769827 563752939 /nfs/dbraw/zinc/75/29/39/563752939.db2.gz XJDZIZCJNWCWLZ-JSGCOSHPSA-N 1 3 388.375 2.837 20 0 GFADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(Br)c1 ZINC000168948902 551634958 /nfs/dbraw/zinc/63/49/58/551634958.db2.gz JSIYFVJWHMFLSW-IBGZPJMESA-N 1 3 398.389 2.880 20 0 GFADHO CCOC(=O)C1([C@H](C)NCc2csc(Br)c2)CC[NH2+]CC1 ZINC000422861157 563349798 /nfs/dbraw/zinc/34/97/98/563349798.db2.gz MIRJPXCGOSDALF-NSHDSACASA-N 1 3 375.332 2.922 20 0 GFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(Br)cc1N1CCOCC1 ZINC000422989548 563352243 /nfs/dbraw/zinc/35/22/43/563352243.db2.gz LRLIHTVJTKGEGF-PBHICJAKSA-N 1 3 382.346 2.893 20 0 GFADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000423096228 563355680 /nfs/dbraw/zinc/35/56/80/563355680.db2.gz OEAZBLBHGUFHID-GVDBMIGSSA-N 1 3 399.320 2.725 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423154268 563357152 /nfs/dbraw/zinc/35/71/52/563357152.db2.gz JEKLYEUOVXPAHX-KEYYUXOJSA-N 1 3 385.346 2.586 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423154268 563357153 /nfs/dbraw/zinc/35/71/53/563357153.db2.gz JEKLYEUOVXPAHX-KEYYUXOJSA-N 1 3 385.346 2.586 20 0 GFADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000430966244 563550985 /nfs/dbraw/zinc/55/09/85/563550985.db2.gz OGXNYCGKNNVILR-KBPBESRZSA-N 1 3 382.346 2.855 20 0 GFADHO CC[NH+]1CCC(NC(=O)CNC(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000411371248 563616791 /nfs/dbraw/zinc/61/67/91/563616791.db2.gz RNQMMTQPSUXPFX-UHFFFAOYSA-N 1 3 396.373 2.960 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000414676033 563750143 /nfs/dbraw/zinc/75/01/43/563750143.db2.gz HCZFKPBIFZINBX-AUUYWEPGSA-N 1 3 375.563 2.954 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000414676033 563750146 /nfs/dbraw/zinc/75/01/46/563750146.db2.gz HCZFKPBIFZINBX-AUUYWEPGSA-N 1 3 375.563 2.954 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C2CCNCC2)CC1 ZINC000414774795 563752724 /nfs/dbraw/zinc/75/27/24/563752724.db2.gz BQPXBQVTFDOHLI-UHFFFAOYSA-N 1 3 380.330 2.704 20 0 GFADHO C[NH+]1CCC(CCO)(NCc2ccnc3c(Br)cccc23)CC1 ZINC000449242067 564177926 /nfs/dbraw/zinc/17/79/26/564177926.db2.gz DJLKFCBOBUDXJE-UHFFFAOYSA-N 1 3 378.314 2.934 20 0 GFADHO O=S1(=O)CC[C@@H](NCCC2=CC[NH2+]CC2)c2cc(Br)ccc21 ZINC000566092097 564308486 /nfs/dbraw/zinc/30/84/86/564308486.db2.gz CWRWLLBJPGNNSU-OAHLLOKOSA-N 1 3 385.327 2.567 20 0 GFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Br)cc2c1OCC2 ZINC000516512919 564503724 /nfs/dbraw/zinc/50/37/24/564503724.db2.gz IUOYJHMZKMMJIW-UHFFFAOYSA-N 1 3 396.373 2.842 20 0 GFADHO C[C@H]1C[N@H+](CCCNC[C@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252866 564695837 /nfs/dbraw/zinc/69/58/37/564695837.db2.gz PUXPTCOIQJBNLU-GJZGRUSLSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252866 564695840 /nfs/dbraw/zinc/69/58/40/564695840.db2.gz PUXPTCOIQJBNLU-GJZGRUSLSA-N 1 3 391.339 2.824 20 0 GFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(Br)cc1 ZINC000499524114 564929914 /nfs/dbraw/zinc/92/99/14/564929914.db2.gz UJBGLGPQGHUKED-GOSISDBHSA-N 1 3 396.373 2.866 20 0 GFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(Br)cc1 ZINC000499524114 564929919 /nfs/dbraw/zinc/92/99/19/564929919.db2.gz UJBGLGPQGHUKED-GOSISDBHSA-N 1 3 396.373 2.866 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)c(F)cc1Br ZINC000617506203 565243638 /nfs/dbraw/zinc/24/36/38/565243638.db2.gz FMKHYQIDWCZCQU-NSHDSACASA-N 1 3 392.288 2.729 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)c(F)cc1Br ZINC000617506203 565243641 /nfs/dbraw/zinc/24/36/41/565243641.db2.gz FMKHYQIDWCZCQU-NSHDSACASA-N 1 3 392.288 2.729 20 0 GFADHO Cc1nc(C)c(Br)c(NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000663481314 565423388 /nfs/dbraw/zinc/42/33/88/565423388.db2.gz IWLBCOAIVHXXNI-UHFFFAOYSA-N 1 3 382.350 2.826 20 0 GFADHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(Br)ccc2OC)CC1 ZINC000663503274 565424444 /nfs/dbraw/zinc/42/44/44/565424444.db2.gz MTXFBNSOWZGOSA-UHFFFAOYSA-N 1 3 398.345 2.538 20 0 GFADHO C[NH+]1CCC(N2CC[C@H](NCc3ccc(Br)c(F)c3F)C2)CC1 ZINC000623415897 565509439 /nfs/dbraw/zinc/50/94/39/565509439.db2.gz BMSOYKVKGSYFIZ-ZDUSSCGKSA-N 1 3 388.300 2.985 20 0 GFADHO O[C@@H](CNCCCOc1ncc(C(F)(F)F)cc1Cl)C[NH+]1CCCC1 ZINC000629573498 565860425 /nfs/dbraw/zinc/86/04/25/565860425.db2.gz DIFVMFPKAXGLDI-ZDUSSCGKSA-N 1 3 381.826 2.569 20 0 GFADHO CN1CC[NH+](CCCCNCc2ncc(Br)cc2Cl)CC1 ZINC000631040192 565934443 /nfs/dbraw/zinc/93/44/43/565934443.db2.gz HJJIMTIRESSRBI-UHFFFAOYSA-N 1 3 375.742 2.615 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCOc1cccc(Cl)c1Cl ZINC000607235775 565981901 /nfs/dbraw/zinc/98/19/01/565981901.db2.gz BGFDKFKMNFJPGK-UHFFFAOYSA-N 1 3 391.343 2.507 20 0 GFADHO CC1CCN([C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c2cccs2)CC1 ZINC000655912772 566095681 /nfs/dbraw/zinc/09/56/81/566095681.db2.gz PCIBDYFRWOHOPA-TZMCWYRMSA-N 1 3 378.464 2.710 20 0 GFADHO C[C@@H](N[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH+](C)CC1 ZINC000683695750 566210189 /nfs/dbraw/zinc/21/01/89/566210189.db2.gz NBVXTLAMUCNKQW-DYVFJYSZSA-N 1 3 380.330 2.874 20 0 GFADHO CC[N@H+](CCOc1cccc(-c2nn[n-]n2)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736541433 598509710 /nfs/dbraw/zinc/50/97/10/598509710.db2.gz GCXHIUXUIRZWGF-UHFFFAOYSA-N 1 3 380.496 2.829 20 0 GFADHO CC[N@@H+](CCOc1cccc(-c2nn[n-]n2)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736541433 598509712 /nfs/dbraw/zinc/50/97/12/598509712.db2.gz GCXHIUXUIRZWGF-UHFFFAOYSA-N 1 3 380.496 2.829 20 0 GFADHO N[C@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916522 660211892 /nfs/dbraw/zinc/21/18/92/660211892.db2.gz GYGALLBORQVFSG-GJZGRUSLSA-N 1 3 380.432 2.609 20 0 GFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000819172587 660248590 /nfs/dbraw/zinc/24/85/90/660248590.db2.gz DTGKAVQBQPZEOG-IPMKNSEASA-N 1 3 397.357 2.840 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1Cc2ccc(Br)cc2C1 ZINC000820080466 660280509 /nfs/dbraw/zinc/28/05/09/660280509.db2.gz BVBXLIAVSDKQIU-AWEZNQCLSA-N 1 3 397.361 2.746 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1Cc2ccc(Br)cc2C1 ZINC000820080466 660280512 /nfs/dbraw/zinc/28/05/12/660280512.db2.gz BVBXLIAVSDKQIU-AWEZNQCLSA-N 1 3 397.361 2.746 20 0 GFADHO CN(C)CC[NH+]1CCC(CNCc2nc(Cl)ccc2Br)CC1 ZINC000821219047 660318846 /nfs/dbraw/zinc/31/88/46/660318846.db2.gz CTQVWJOICMMUNF-UHFFFAOYSA-N 1 3 389.769 2.861 20 0 GFADHO C[C@@H]1C[C@H](NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@@H+]1C ZINC000127071392 654824020 /nfs/dbraw/zinc/82/40/20/654824020.db2.gz JXDNFXDGDNROFQ-HZPDHXFCSA-N 1 3 385.599 2.538 20 0 GFADHO C[C@@H]1C[C@H](NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@H+]1C ZINC000127071392 654824021 /nfs/dbraw/zinc/82/40/21/654824021.db2.gz JXDNFXDGDNROFQ-HZPDHXFCSA-N 1 3 385.599 2.538 20 0 GFADHO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174715592 655206279 /nfs/dbraw/zinc/20/62/79/655206279.db2.gz RFOFCDSILSRNKL-CQSZACIVSA-N 1 3 387.355 2.890 20 0 GFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)cc2)CC1 ZINC000775377424 656633759 /nfs/dbraw/zinc/63/37/59/656633759.db2.gz WYYSKUOSHPTOKS-HSALFYBXSA-N 1 3 377.623 2.903 20 0 GFADHO FC(F)(F)c1ccc(CNC2CC[NH+](CCN3CCOCC3)CC2)s1 ZINC000872107455 662756045 /nfs/dbraw/zinc/75/60/45/662756045.db2.gz MHMRNLDMAYIDJY-UHFFFAOYSA-N 1 3 377.476 2.653 20 0 GFADHO C[NH+]1CCC2(CCCN(Cc3cnn4cc(Br)cnc34)C2)CC1 ZINC000877497158 662877144 /nfs/dbraw/zinc/87/71/44/662877144.db2.gz HPKFTJDGMJDRNY-UHFFFAOYSA-N 1 3 378.318 2.800 20 0 GFADHO COC[C@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1cccc(Br)c1 ZINC000877758679 662882948 /nfs/dbraw/zinc/88/29/48/662882948.db2.gz KCLUZPJSDGYYCZ-KRWDZBQOSA-N 1 3 385.346 2.962 20 0 GFADHO c1csc([C@@H]2CCN(CCOCC[N@@H+]3CC[C@@H](c4nccs4)C3)C2)n1 ZINC000880319223 662957832 /nfs/dbraw/zinc/95/78/32/662957832.db2.gz CZVYHLNBGNNMOO-HZPDHXFCSA-N 1 3 378.567 2.895 20 0 GFADHO c1csc([C@@H]2CCN(CCOCC[N@H+]3CC[C@@H](c4nccs4)C3)C2)n1 ZINC000880319223 662957834 /nfs/dbraw/zinc/95/78/34/662957834.db2.gz CZVYHLNBGNNMOO-HZPDHXFCSA-N 1 3 378.567 2.895 20 0 GFADHO CN(Cc1cnc(CC(F)(F)F)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894459853 663462976 /nfs/dbraw/zinc/46/29/76/663462976.db2.gz PYJZDLWGZIMEHB-AWEZNQCLSA-N 1 3 376.492 2.848 20 0 GFADHO Cc1c(Br)cncc1CN[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922388433 664598253 /nfs/dbraw/zinc/59/82/53/664598253.db2.gz DWJFCTIHMXREBG-ZJPYXAASSA-N 1 3 382.346 2.722 20 0 GFADHO Cc1c(Br)cncc1CN[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922388433 664598254 /nfs/dbraw/zinc/59/82/54/664598254.db2.gz DWJFCTIHMXREBG-ZJPYXAASSA-N 1 3 382.346 2.722 20 0 GFADHO [NH3+]CCCOC1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923298530 664627761 /nfs/dbraw/zinc/62/77/61/664627761.db2.gz VFMLAUZXXXUMHZ-AWEZNQCLSA-N 1 3 377.312 2.563 20 0 GFADHO O=C1O[C@@H](CN[C@@H]2CCc3c2cc(Br)cc3F)CC12CC[NH2+]CC2 ZINC000925851531 664675942 /nfs/dbraw/zinc/67/59/42/664675942.db2.gz FYNNAZGGBCFNTO-MLGOLLRUSA-N 1 3 397.288 2.850 20 0 GFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1cccc(Br)n1)C2 ZINC000926878676 664698469 /nfs/dbraw/zinc/69/84/69/664698469.db2.gz HQLWWEOUARCSOY-FPHDVWFLSA-N 1 3 382.346 2.974 20 0 GFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1cccc(Br)n1)C2 ZINC000926878676 664698470 /nfs/dbraw/zinc/69/84/70/664698470.db2.gz HQLWWEOUARCSOY-FPHDVWFLSA-N 1 3 382.346 2.974 20 0 GFADHO CN(Cc1ccc(N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)nc1)C1CC1 ZINC001164692515 719759700 /nfs/dbraw/zinc/75/97/00/719759700.db2.gz UPUANANYQZCMOS-XMSQKQJNSA-N 1 3 397.498 2.869 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccnc3Br)CC2)CC1 ZINC000122244646 551296168 /nfs/dbraw/zinc/29/61/68/551296168.db2.gz FJGMBMNJGMEXMM-UHFFFAOYSA-N 1 3 396.333 2.524 20 0 GFADHO CN1CCC[N@H+](CCCNCc2cc(Br)cc3c2OCC3)CC1 ZINC000155811472 551508025 /nfs/dbraw/zinc/50/80/25/551508025.db2.gz FIPSEHJAOVJRCB-UHFFFAOYSA-N 1 3 382.346 2.501 20 0 GFADHO CN1CCC[N@@H+](CCCNCc2cc(Br)cc3c2OCC3)CC1 ZINC000155811472 551508030 /nfs/dbraw/zinc/50/80/30/551508030.db2.gz FIPSEHJAOVJRCB-UHFFFAOYSA-N 1 3 382.346 2.501 20 0 GFADHO CCOC(=O)C1([C@@H](C)NCc2cc(F)cc(Br)c2)CC[NH2+]CC1 ZINC000422731674 563348161 /nfs/dbraw/zinc/34/81/61/563348161.db2.gz MDIXFTMOCFPGQS-GFCCVEGCSA-N 1 3 387.293 2.999 20 0 GFADHO COCC1(CN[C@@H](C)c2ccccc2I)CC[NH2+]CC1 ZINC000423406324 563360602 /nfs/dbraw/zinc/36/06/02/563360602.db2.gz KMYBNIAXANDYEL-ZDUSSCGKSA-N 1 3 388.293 2.958 20 0 GFADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423466407 563361402 /nfs/dbraw/zinc/36/14/02/563361402.db2.gz ANTURAINSVJMGU-GHMZBOCLSA-N 1 3 380.341 2.824 20 0 GFADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(I)c2)CC1 ZINC000283791224 563454394 /nfs/dbraw/zinc/45/43/94/563454394.db2.gz ABXKOXGBSYJLPH-UHFFFAOYSA-N 1 3 388.293 2.616 20 0 GFADHO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414751588 563751857 /nfs/dbraw/zinc/75/18/57/563751857.db2.gz SQXLILCKDWSZNC-ZDUSSCGKSA-N 1 3 386.309 2.607 20 0 GFADHO CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414751588 563751859 /nfs/dbraw/zinc/75/18/59/563751859.db2.gz SQXLILCKDWSZNC-ZDUSSCGKSA-N 1 3 386.309 2.607 20 0 GFADHO Brc1ccc(-c2ncc(CNCCCN3CC[NH2+]CC3)s2)cc1 ZINC000414780156 563752689 /nfs/dbraw/zinc/75/26/89/563752689.db2.gz KRJBEPPCOMIXPE-UHFFFAOYSA-N 1 3 395.370 2.958 20 0 GFADHO C[C@H](N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ncc(Br)cc1F ZINC000364462315 563753647 /nfs/dbraw/zinc/75/36/47/563753647.db2.gz CFZJIPKPDZLAFG-GXTWGEPZSA-N 1 3 385.325 2.802 20 0 GFADHO C[C@H](N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ncc(Br)cc1F ZINC000364462315 563753648 /nfs/dbraw/zinc/75/36/48/563753648.db2.gz CFZJIPKPDZLAFG-GXTWGEPZSA-N 1 3 385.325 2.802 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC(NC[C@@H]([NH3+])C2CC2)CC1 ZINC000414895499 563753795 /nfs/dbraw/zinc/75/37/95/563753795.db2.gz XRXQZMNPPSPXRU-QGZVFWFLSA-N 1 3 380.330 2.689 20 0 GFADHO COc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1Br ZINC000563708675 564203517 /nfs/dbraw/zinc/20/35/17/564203517.db2.gz MIUGKJDOPZIJQR-UHFFFAOYSA-N 1 3 384.362 2.916 20 0 GFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3ccc(Br)cc3F)C[C@@H]21 ZINC000573685258 564649822 /nfs/dbraw/zinc/64/98/22/564649822.db2.gz ZMPGTZFLJDPEAG-OSAQELSMSA-N 1 3 384.293 2.976 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000531357969 564907645 /nfs/dbraw/zinc/90/76/45/564907645.db2.gz XKAKFZUQAHMMCX-IAGOWNOFSA-N 1 3 382.346 2.504 20 0 GFADHO CC(C)[C@H]([NH3+])CCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000659625697 565221299 /nfs/dbraw/zinc/22/12/99/565221299.db2.gz XPGFQKYTCUNXIS-QGZVFWFLSA-N 1 3 399.377 2.896 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC000666701988 565553282 /nfs/dbraw/zinc/55/32/82/565553282.db2.gz VYOSKBRTANPPFO-YOEHRIQHSA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC000666701988 565553290 /nfs/dbraw/zinc/55/32/90/565553290.db2.gz VYOSKBRTANPPFO-YOEHRIQHSA-N 1 3 380.330 2.783 20 0 GFADHO COc1c(Br)cc(CN(C)CCOCC[NH3+])cc1Br ZINC000629665382 565866495 /nfs/dbraw/zinc/86/64/95/565866495.db2.gz VEJAWSDLFLWOSX-UHFFFAOYSA-N 1 3 396.123 2.627 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682493758 566158246 /nfs/dbraw/zinc/15/82/46/566158246.db2.gz WJNQJXQHIALRSN-UHFFFAOYSA-N 1 3 390.753 2.597 20 0 GFADHO C[C@H](Cn1cc(Br)ccc1=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635005408 566188021 /nfs/dbraw/zinc/18/80/21/566188021.db2.gz IQPZMDMTTWWOLT-RHSMWYFYSA-N 1 3 378.314 2.549 20 0 GFADHO COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826157826 608378180 /nfs/dbraw/zinc/37/81/80/608378180.db2.gz NIZBGAACRMQEDT-UHFFFAOYSA-N 1 3 390.507 2.576 20 0 GFADHO COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826157826 608378182 /nfs/dbraw/zinc/37/81/82/608378182.db2.gz NIZBGAACRMQEDT-UHFFFAOYSA-N 1 3 390.507 2.576 20 0 GFADHO c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826517835 608430122 /nfs/dbraw/zinc/43/01/22/608430122.db2.gz QICPJCRCEHMSGS-UHFFFAOYSA-N 1 3 392.507 2.674 20 0 GFADHO c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826517835 608430123 /nfs/dbraw/zinc/43/01/23/608430123.db2.gz QICPJCRCEHMSGS-UHFFFAOYSA-N 1 3 392.507 2.674 20 0 GFADHO C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824984987 609138420 /nfs/dbraw/zinc/13/84/20/609138420.db2.gz QAHSWCORUOUSAE-RBSFLKMASA-N 1 3 376.480 2.546 20 0 GFADHO Cc1nc(Br)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000822337113 660343156 /nfs/dbraw/zinc/34/31/56/660343156.db2.gz NDHAPKUVGXAYMU-LBPRGKRZSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1nc(Br)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000822337113 660343157 /nfs/dbraw/zinc/34/31/57/660343157.db2.gz NDHAPKUVGXAYMU-LBPRGKRZSA-N 1 3 386.338 2.546 20 0 GFADHO COCCC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Br)cc1 ZINC000268881027 654990139 /nfs/dbraw/zinc/99/01/39/654990139.db2.gz XSTSUGZDHZATGR-MSOLQXFVSA-N 1 3 385.346 2.963 20 0 GFADHO COCCC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)cc1 ZINC000268997176 654994504 /nfs/dbraw/zinc/99/45/04/654994504.db2.gz OBLPDQAIBHEQFE-KRWDZBQOSA-N 1 3 385.346 2.963 20 0 GFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000848192819 661631842 /nfs/dbraw/zinc/63/18/42/661631842.db2.gz JOOWWDCBWAZEIR-KRWDZBQOSA-N 1 3 376.372 2.883 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)OCc1ccc(Br)cc1 ZINC000859216788 662145643 /nfs/dbraw/zinc/14/56/43/662145643.db2.gz FENKTJCNXUIOPG-AWEZNQCLSA-N 1 3 386.334 2.947 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)OCc1ccc(Br)cc1 ZINC000859216788 662145645 /nfs/dbraw/zinc/14/56/45/662145645.db2.gz FENKTJCNXUIOPG-AWEZNQCLSA-N 1 3 386.334 2.947 20 0 GFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cc(Br)cc3c1OCC3)CC2 ZINC000904391796 663832314 /nfs/dbraw/zinc/83/23/14/663832314.db2.gz JUTDMTNVSRJIMM-INIZCTEOSA-N 1 3 381.314 2.714 20 0 GFADHO COc1cc(Br)c(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(OC)c1 ZINC000904392333 663832378 /nfs/dbraw/zinc/83/23/78/663832378.db2.gz PTOHPEVOGOANFJ-CQSZACIVSA-N 1 3 399.329 2.796 20 0 GFADHO [NH3+]C[C@H](NC[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000923371658 664629144 /nfs/dbraw/zinc/62/91/44/664629144.db2.gz CXBKMMZEDOJSSY-WBVHZDCISA-N 1 3 389.309 2.825 20 0 GFADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(CN(C)C)ccn3)CC[C@@H]21 ZINC001164838752 720624891 /nfs/dbraw/zinc/62/48/91/720624891.db2.gz LMKBODYWJGPVFJ-HKBOAZHASA-N 1 3 382.556 2.718 20 0 GFADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(CN(C)C)ccn3)CC[C@@H]21 ZINC001164838752 720624898 /nfs/dbraw/zinc/62/48/98/720624898.db2.gz LMKBODYWJGPVFJ-HKBOAZHASA-N 1 3 382.556 2.718 20 0 GFADHO c1cncc(CO[C@H]2C[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CCN3C2)c1 ZINC001164867272 721114872 /nfs/dbraw/zinc/11/48/72/721114872.db2.gz XPAJIHDJLRQIOX-SFTDATJTSA-N 1 3 379.508 2.557 20 0 GFADHO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)c2)CC1 ZINC001164784317 721434820 /nfs/dbraw/zinc/43/48/20/721434820.db2.gz LAZBAYRWLKWZOX-IRXDYDNUSA-N 1 3 399.564 2.579 20 0 GFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)ccc1CN1CCCC1 ZINC001164924305 721867907 /nfs/dbraw/zinc/86/79/07/721867907.db2.gz KSJZEPGZKUPEBQ-ROUUACIJSA-N 1 3 377.964 2.545 20 0 GFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)ccc1CN1CCCC1 ZINC001164924305 721867909 /nfs/dbraw/zinc/86/79/09/721867909.db2.gz KSJZEPGZKUPEBQ-ROUUACIJSA-N 1 3 377.964 2.545 20 0 GFADHO CN(Cc1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)nc1)C1CC1 ZINC001164958020 722051266 /nfs/dbraw/zinc/05/12/66/722051266.db2.gz AKWVNUUWJHTXMA-KKLQWCBXSA-N 1 3 393.535 2.976 20 0 GFADHO CN(C)c1cc[nH+]c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164962369 722055609 /nfs/dbraw/zinc/05/56/09/722055609.db2.gz DIAYADPQRXYQJB-UHFFFAOYSA-N 1 3 381.524 2.662 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(Br)cc3)CC2)CC1 ZINC000050802308 551161638 /nfs/dbraw/zinc/16/16/38/551161638.db2.gz IALCREKYKVGOTN-UHFFFAOYSA-N 1 3 394.357 2.666 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3SCCc4sccc43)CC2)CC1 ZINC000172929820 551690290 /nfs/dbraw/zinc/69/02/90/551690290.db2.gz UPMVVZVDXFTLDW-GOSISDBHSA-N 1 3 379.595 2.753 20 0 GFADHO C(CCN1CCS[C@H]2COCC[C@H]21)CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000246777821 553112650 /nfs/dbraw/zinc/11/26/50/553112650.db2.gz IIFJSZLWZLEWHD-SEXKYXSUSA-N 1 3 386.627 2.569 20 0 GFADHO C(CCN1CCS[C@H]2COCC[C@H]21)CC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000246777821 553112652 /nfs/dbraw/zinc/11/26/52/553112652.db2.gz IIFJSZLWZLEWHD-SEXKYXSUSA-N 1 3 386.627 2.569 20 0 GFADHO C(CCN1CCS[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246777821 553112654 /nfs/dbraw/zinc/11/26/54/553112654.db2.gz IIFJSZLWZLEWHD-SEXKYXSUSA-N 1 3 386.627 2.569 20 0 GFADHO C(CCN1CCS[C@@H]2COCC[C@@H]21)CC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246777821 553112655 /nfs/dbraw/zinc/11/26/55/553112655.db2.gz IIFJSZLWZLEWHD-SEXKYXSUSA-N 1 3 386.627 2.569 20 0 GFADHO C[C@@H](CC[NH3+])NC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000418518130 563219313 /nfs/dbraw/zinc/21/93/13/563219313.db2.gz FKYBIUSVIBEVHR-AWEZNQCLSA-N 1 3 397.361 2.792 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418547011 563220184 /nfs/dbraw/zinc/22/01/84/563220184.db2.gz IONFIVFIWWMRDT-QGZVFWFLSA-N 1 3 397.361 2.664 20 0 GFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422797356 563349531 /nfs/dbraw/zinc/34/95/31/563349531.db2.gz MEYRYDKGSAVAAX-NKGKWGDASA-N 1 3 383.330 2.963 20 0 GFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422797355 563349901 /nfs/dbraw/zinc/34/99/01/563349901.db2.gz MEYRYDKGSAVAAX-BVPBIZIASA-N 1 3 383.330 2.963 20 0 GFADHO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@H]1CCCCN1 ZINC000422907474 563350889 /nfs/dbraw/zinc/35/08/89/563350889.db2.gz LHOLEKLGMHEAKB-WMLDXEAASA-N 1 3 382.346 2.918 20 0 GFADHO CCOC(=O)C1([C@@H](C)NCc2ccsc2Br)CC[NH2+]CC1 ZINC000423116869 563356386 /nfs/dbraw/zinc/35/63/86/563356386.db2.gz RVFGYXBDEQDBMR-LLVKDONJSA-N 1 3 375.332 2.922 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423151482 563356691 /nfs/dbraw/zinc/35/66/91/563356691.db2.gz DIPPVJFHZKFCGF-JQFCIGGWSA-N 1 3 385.346 2.858 20 0 GFADHO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCC[C@@H]2CN)cc1Br ZINC000423165266 563357794 /nfs/dbraw/zinc/35/77/94/563357794.db2.gz UFHNDCHEBSCDSZ-ZMSDIMECSA-N 1 3 385.346 2.716 20 0 GFADHO COc1cc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1SC ZINC000423377718 563360463 /nfs/dbraw/zinc/36/04/63/563360463.db2.gz FGDQGQOADDKQCP-BLLLJJGKSA-N 1 3 377.476 2.904 20 0 GFADHO COc1cc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1SC ZINC000423377734 563360508 /nfs/dbraw/zinc/36/05/08/563360508.db2.gz FGDQGQOADDKQCP-WBMJQRKESA-N 1 3 377.476 2.904 20 0 GFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000333246116 563625564 /nfs/dbraw/zinc/62/55/64/563625564.db2.gz FTTCJCUXNWGXNJ-SIVJFFJCSA-N 1 3 386.359 2.808 20 0 GFADHO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443062704 563790428 /nfs/dbraw/zinc/79/04/28/563790428.db2.gz VCRMDSDVKBWMCT-LSDHHAIUSA-N 1 3 382.346 2.857 20 0 GFADHO CN1CCC[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H]1c1cccs1 ZINC000416017222 563802537 /nfs/dbraw/zinc/80/25/37/563802537.db2.gz XXDVFPUVLFZAHW-BNOWGMLFSA-N 1 3 378.464 2.710 20 0 GFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sccc1Br ZINC000505816752 564190955 /nfs/dbraw/zinc/19/09/55/564190955.db2.gz AOQZBXFCPLLRAG-CYBMUJFWSA-N 1 3 388.375 2.999 20 0 GFADHO C[C@@H](C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)CN1CCCC1 ZINC000569715487 564475392 /nfs/dbraw/zinc/47/53/92/564475392.db2.gz MDAMQJJPXNFRFU-XJKSGUPXSA-N 1 3 389.309 2.649 20 0 GFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000572393430 564592873 /nfs/dbraw/zinc/59/28/73/564592873.db2.gz JTDCDEVTUIWHSX-CZUORRHYSA-N 1 3 389.309 2.649 20 0 GFADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752937 564609414 /nfs/dbraw/zinc/60/94/14/564609414.db2.gz PAJUVOREHAHMHE-GOEBONIOSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752937 564609416 /nfs/dbraw/zinc/60/94/16/564609416.db2.gz PAJUVOREHAHMHE-GOEBONIOSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530641084 564890325 /nfs/dbraw/zinc/89/03/25/564890325.db2.gz ARGUQQSXXATBPQ-CYBMUJFWSA-N 1 3 376.328 2.713 20 0 GFADHO Cc1nn(C)c(CNCC2CC[NH+](Cc3ccncc3)CC2)c1Br ZINC000657613194 565113193 /nfs/dbraw/zinc/11/31/93/565113193.db2.gz HVEQWYYAHFLQHB-UHFFFAOYSA-N 1 3 392.345 2.888 20 0 GFADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698709 565382245 /nfs/dbraw/zinc/38/22/45/565382245.db2.gz LNDSLEBNODYAGW-INIZCTEOSA-N 1 3 375.460 2.618 20 0 GFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698229 565382433 /nfs/dbraw/zinc/38/24/33/565382433.db2.gz JWVWXRHINOQBKA-BBRMVZONSA-N 1 3 375.460 2.618 20 0 GFADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632306 565486658 /nfs/dbraw/zinc/48/66/58/565486658.db2.gz WIYPOGKDEVDGBV-LSDHHAIUSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632306 565486660 /nfs/dbraw/zinc/48/66/60/565486660.db2.gz WIYPOGKDEVDGBV-LSDHHAIUSA-N 1 3 391.339 2.824 20 0 GFADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc([O-])cc(Br)c1 ZINC000625541236 565637845 /nfs/dbraw/zinc/63/78/45/565637845.db2.gz WNAXPALWZCNLKL-UHFFFAOYSA-N 1 3 386.334 2.500 20 0 GFADHO CN1CCC([N@@H+]2CC[C@H](NCc3ncc(Br)cc3Cl)C2)CC1 ZINC000631070273 565938071 /nfs/dbraw/zinc/93/80/71/565938071.db2.gz RZYDYHZPMUFOKJ-ZDUSSCGKSA-N 1 3 387.753 2.756 20 0 GFADHO CN1CCC([N@H+]2CC[C@H](NCc3ncc(Br)cc3Cl)C2)CC1 ZINC000631070273 565938075 /nfs/dbraw/zinc/93/80/75/565938075.db2.gz RZYDYHZPMUFOKJ-ZDUSSCGKSA-N 1 3 387.753 2.756 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000607236942 565981352 /nfs/dbraw/zinc/98/13/52/565981352.db2.gz JLGSSHLUCLFLJM-UHFFFAOYSA-N 1 3 383.949 2.585 20 0 GFADHO CC1CCN([C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c2cccs2)CC1 ZINC000655912771 566095626 /nfs/dbraw/zinc/09/56/26/566095626.db2.gz PCIBDYFRWOHOPA-OCCSQVGLSA-N 1 3 378.464 2.710 20 0 GFADHO C[NH+]1CCC(C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000736848823 598562249 /nfs/dbraw/zinc/56/22/49/598562249.db2.gz NREIWYYCIDJMKW-UHFFFAOYSA-N 1 3 392.507 2.877 20 0 GFADHO C[NH+]1CCC(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000736848823 598562251 /nfs/dbraw/zinc/56/22/51/598562251.db2.gz NREIWYYCIDJMKW-UHFFFAOYSA-N 1 3 392.507 2.877 20 0 GFADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820705036 606914944 /nfs/dbraw/zinc/91/49/44/606914944.db2.gz RQHKVEQICCGNDB-UWJYYQICSA-N 1 3 398.555 2.877 20 0 GFADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820705036 606914945 /nfs/dbraw/zinc/91/49/45/606914945.db2.gz RQHKVEQICCGNDB-UWJYYQICSA-N 1 3 398.555 2.877 20 0 GFADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820705036 606914946 /nfs/dbraw/zinc/91/49/46/606914946.db2.gz RQHKVEQICCGNDB-UWJYYQICSA-N 1 3 398.555 2.877 20 0 GFADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820705036 606914947 /nfs/dbraw/zinc/91/49/47/606914947.db2.gz RQHKVEQICCGNDB-UWJYYQICSA-N 1 3 398.555 2.877 20 0 GFADHO CC[N@H+](CCC1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1)CC1CC1 ZINC000825419390 608211854 /nfs/dbraw/zinc/21/18/54/608211854.db2.gz OPISRNQGQKKVDR-NRFANRHFSA-N 1 3 398.555 2.734 20 0 GFADHO CC[N@@H+](CCC1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1)CC1CC1 ZINC000825419390 608211855 /nfs/dbraw/zinc/21/18/55/608211855.db2.gz OPISRNQGQKKVDR-NRFANRHFSA-N 1 3 398.555 2.734 20 0 GFADHO CC[N@H+](CCC1CC[NH+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1)CC1CC1 ZINC000825419390 608211856 /nfs/dbraw/zinc/21/18/56/608211856.db2.gz OPISRNQGQKKVDR-NRFANRHFSA-N 1 3 398.555 2.734 20 0 GFADHO CC[N@@H+](CCC1CC[NH+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1)CC1CC1 ZINC000825419390 608211857 /nfs/dbraw/zinc/21/18/57/608211857.db2.gz OPISRNQGQKKVDR-NRFANRHFSA-N 1 3 398.555 2.734 20 0 GFADHO COc1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1-c1nnn[n-]1 ZINC000826202040 608286492 /nfs/dbraw/zinc/28/64/92/608286492.db2.gz MOFLTEJHSQJGMZ-HNNXBMFYSA-N 1 3 396.495 2.667 20 0 GFADHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cnc1Br ZINC000822493564 660346799 /nfs/dbraw/zinc/34/67/99/660346799.db2.gz YGXYXWMIIXDBJJ-ZDUSSCGKSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cnc1Br ZINC000822493564 660346801 /nfs/dbraw/zinc/34/68/01/660346801.db2.gz YGXYXWMIIXDBJJ-ZDUSSCGKSA-N 1 3 386.338 2.546 20 0 GFADHO O=C1[C@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1cccc(Br)c1 ZINC000843364557 661378901 /nfs/dbraw/zinc/37/89/01/661378901.db2.gz HHWQAYIJRCWHFL-MRXNPFEDSA-N 1 3 378.314 2.630 20 0 GFADHO O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)CN1CCCC1 ZINC000872027974 662754140 /nfs/dbraw/zinc/75/41/40/662754140.db2.gz OPQPZXYOFXTQEA-NXHRZFHOSA-N 1 3 383.330 2.573 20 0 GFADHO CC(C)CN(Cc1ccc(S(=O)(=O)N(C)C)s1)CC1CC[NH+](C)CC1 ZINC000879703431 662937263 /nfs/dbraw/zinc/93/72/63/662937263.db2.gz MECGIYVQXQDANS-UHFFFAOYSA-N 1 3 387.615 2.798 20 0 GFADHO C[C@@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)CC[C@@H]1C[NH3+] ZINC000904410965 663833356 /nfs/dbraw/zinc/83/33/56/663833356.db2.gz RXWDDUAXUDHJNX-HUUCEWRRSA-N 1 3 382.346 2.702 20 0 GFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cncc(Br)c3)C2)[C@H]1C(C)C ZINC000922395155 664599308 /nfs/dbraw/zinc/59/93/08/664599308.db2.gz UJHGHYZWIVMYOW-BRSBDYLESA-N 1 3 382.346 2.804 20 0 GFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cncc(Br)c3)C2)[C@H]1C(C)C ZINC000922395155 664599314 /nfs/dbraw/zinc/59/93/14/664599314.db2.gz UJHGHYZWIVMYOW-BRSBDYLESA-N 1 3 382.346 2.804 20 0 GFADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)c(Br)c1 ZINC000925850820 664675967 /nfs/dbraw/zinc/67/59/67/664675967.db2.gz BRMVYWLFELXJIJ-AAEUAGOBSA-N 1 3 385.277 2.924 20 0 GFADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1cccc(Br)n1)C2 ZINC000926878687 664698487 /nfs/dbraw/zinc/69/84/87/664698487.db2.gz HQLWWEOUARCSOY-UUWMRLDISA-N 1 3 382.346 2.974 20 0 GFADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1cccc(Br)n1)C2 ZINC000926878687 664698488 /nfs/dbraw/zinc/69/84/88/664698488.db2.gz HQLWWEOUARCSOY-UUWMRLDISA-N 1 3 382.346 2.974 20 0 GFADHO CN(Cc1ccc(N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1)C1CC1 ZINC001164692512 719760144 /nfs/dbraw/zinc/76/01/44/719760144.db2.gz UPUANANYQZCMOS-GCJKJVERSA-N 1 3 397.498 2.869 20 0 GFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164816078 720165606 /nfs/dbraw/zinc/16/56/06/720165606.db2.gz KGLNPPAWRYYBCW-GMAHTHKFSA-N 1 3 384.568 2.862 20 0 GFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164816078 720165628 /nfs/dbraw/zinc/16/56/28/720165628.db2.gz KGLNPPAWRYYBCW-GMAHTHKFSA-N 1 3 384.568 2.862 20 0 GFADHO c1cncc(CO[C@H]2C[C@H]3CN(c4ncccc4CN4CCCC4)CC[N@@H+]3C2)c1 ZINC001164879867 721184278 /nfs/dbraw/zinc/18/42/78/721184278.db2.gz UWFIIYRFECTUEM-VXKWHMMOSA-N 1 3 393.535 2.552 20 0 GFADHO c1cncc(CO[C@H]2C[C@H]3CN(c4ncccc4CN4CCCC4)CC[N@H+]3C2)c1 ZINC001164879867 721184279 /nfs/dbraw/zinc/18/42/79/721184279.db2.gz UWFIIYRFECTUEM-VXKWHMMOSA-N 1 3 393.535 2.552 20 0 GFADHO Cn1ccc2c1cc[nH+]c2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982360 722107455 /nfs/dbraw/zinc/10/74/55/722107455.db2.gz NZCNGVGWOZPRFT-GHTZIAJQSA-N 1 3 377.492 2.696 20 0 GFADHO OCCN1CCN(CCCC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000168960387 551634565 /nfs/dbraw/zinc/63/45/65/551634565.db2.gz ONLNUECZDATGDP-SFHVURJKSA-N 1 3 386.367 2.960 20 0 GFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000247311061 553120780 /nfs/dbraw/zinc/12/07/80/553120780.db2.gz QYCUQKVFTLFISL-ZBFHGGJFSA-N 1 3 395.345 2.979 20 0 GFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000247311061 553120782 /nfs/dbraw/zinc/12/07/82/553120782.db2.gz QYCUQKVFTLFISL-ZBFHGGJFSA-N 1 3 395.345 2.979 20 0 GFADHO CCN(Cc1cc(Br)ccc1C[N@H+](CC)C[C@H](C)O)C[C@H](C)O ZINC000510096547 564325468 /nfs/dbraw/zinc/32/54/68/564325468.db2.gz BXWIZANMCXBXPK-GJZGRUSLSA-N 1 3 387.362 2.855 20 0 GFADHO CCN(Cc1cc(Br)ccc1C[N@@H+](CC)C[C@H](C)O)C[C@H](C)O ZINC000510096547 564325472 /nfs/dbraw/zinc/32/54/72/564325472.db2.gz BXWIZANMCXBXPK-GJZGRUSLSA-N 1 3 387.362 2.855 20 0 GFADHO CCN(Cc1ccc(Br)cc1C[N@H+](CC)C[C@H](C)O)C[C@H](C)O ZINC000510096547 564325475 /nfs/dbraw/zinc/32/54/75/564325475.db2.gz BXWIZANMCXBXPK-GJZGRUSLSA-N 1 3 387.362 2.855 20 0 GFADHO CCN(Cc1ccc(Br)cc1C[N@@H+](CC)C[C@H](C)O)C[C@H](C)O ZINC000510096547 564325479 /nfs/dbraw/zinc/32/54/79/564325479.db2.gz BXWIZANMCXBXPK-GJZGRUSLSA-N 1 3 387.362 2.855 20 0 GFADHO O=C(NCC1C[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418494577 563218710 /nfs/dbraw/zinc/21/87/10/563218710.db2.gz YGNSNKPTEXLMDR-UHFFFAOYSA-N 1 3 385.339 2.820 20 0 GFADHO CC[C@@H]([NH3+])CNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000418715191 563222988 /nfs/dbraw/zinc/22/29/88/563222988.db2.gz QZYWRGPPKLVUJQ-OAHLLOKOSA-N 1 3 397.361 2.792 20 0 GFADHO Brc1cccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423089829 563354599 /nfs/dbraw/zinc/35/45/99/563354599.db2.gz TUKMAGDYFYRIEA-JCHJZTRSSA-N 1 3 394.357 2.775 20 0 GFADHO COCC1(CN[C@H](C)c2ccccc2I)CC[NH2+]CC1 ZINC000423406323 563360271 /nfs/dbraw/zinc/36/02/71/563360271.db2.gz KMYBNIAXANDYEL-CYBMUJFWSA-N 1 3 388.293 2.958 20 0 GFADHO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CNCCCO1 ZINC000423496386 563361503 /nfs/dbraw/zinc/36/15/03/563361503.db2.gz WTEZBKUIYMIFKI-CZUORRHYSA-N 1 3 388.293 2.580 20 0 GFADHO C[C@H](CCc1ccc(I)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000423496386 563361504 /nfs/dbraw/zinc/36/15/04/563361504.db2.gz WTEZBKUIYMIFKI-CZUORRHYSA-N 1 3 388.293 2.580 20 0 GFADHO COC[C@H](CCC[NH3+])NCc1cc(Cl)cc(I)c1 ZINC000424373987 563377481 /nfs/dbraw/zinc/37/74/81/563377481.db2.gz ILJBQGWKXKCNCJ-ZDUSSCGKSA-N 1 3 382.673 2.788 20 0 GFADHO [NH3+]CCCOC1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000430548294 563545245 /nfs/dbraw/zinc/54/52/45/563545245.db2.gz BURLEBQAZDTNIS-UHFFFAOYSA-N 1 3 384.318 2.608 20 0 GFADHO C[C@H](CC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCC1 ZINC000363867513 563735498 /nfs/dbraw/zinc/73/54/98/563735498.db2.gz YUTLYTRDISRXTA-MRXNPFEDSA-N 1 3 385.599 2.755 20 0 GFADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000414713187 563751073 /nfs/dbraw/zinc/75/10/73/563751073.db2.gz TWYIGZZXWWEZNY-CQSZACIVSA-N 1 3 380.330 2.615 20 0 GFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(Br)c1 ZINC000505772758 564190132 /nfs/dbraw/zinc/19/01/32/564190132.db2.gz MRJQNJQJBGGEMU-SFHVURJKSA-N 1 3 396.373 2.866 20 0 GFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(Br)c1 ZINC000505772758 564190135 /nfs/dbraw/zinc/19/01/35/564190135.db2.gz MRJQNJQJBGGEMU-SFHVURJKSA-N 1 3 396.373 2.866 20 0 GFADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc(F)c1Br ZINC000563570900 564197221 /nfs/dbraw/zinc/19/72/21/564197221.db2.gz ZLPUTVQJMJMMGX-UHFFFAOYSA-N 1 3 389.313 2.854 20 0 GFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000564798512 564249908 /nfs/dbraw/zinc/24/99/08/564249908.db2.gz YXKIWUKBXVCEGE-KBPBESRZSA-N 1 3 385.350 2.648 20 0 GFADHO CC[NH+](CC)CCOCCNCc1cc(Br)c2c(c1)OCCO2 ZINC000541783600 564288729 /nfs/dbraw/zinc/28/87/29/564288729.db2.gz IJKFSRSOCTXORO-UHFFFAOYSA-N 1 3 387.318 2.668 20 0 GFADHO Brc1ccc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000480387072 564471017 /nfs/dbraw/zinc/47/10/17/564471017.db2.gz UCDLSHRZUXPTAV-UHFFFAOYSA-N 1 3 379.302 2.739 20 0 GFADHO CC[NH2+]CCCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000570147037 564493478 /nfs/dbraw/zinc/49/34/78/564493478.db2.gz DXTXBWOVNLLHIU-UHFFFAOYSA-N 1 3 385.350 2.522 20 0 GFADHO Cc1sc(Br)c(C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000573460051 564639153 /nfs/dbraw/zinc/63/91/53/564639153.db2.gz GBTLTAAQTAIKRG-UHFFFAOYSA-N 1 3 376.364 2.693 20 0 GFADHO COc1cc(C[NH2+]C[C@@H](C)CN(C)C)cc(I)c1OC ZINC000491545856 564792238 /nfs/dbraw/zinc/79/22/38/564792238.db2.gz LIQVTOPWZZEQRW-LLVKDONJSA-N 1 3 392.281 2.596 20 0 GFADHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Br)s1 ZINC000530641867 564889961 /nfs/dbraw/zinc/88/99/61/564889961.db2.gz WOIAWCCZDFSLNR-LBPRGKRZSA-N 1 3 376.364 2.566 20 0 GFADHO Cc1ccc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Br)c1 ZINC000617503319 565242185 /nfs/dbraw/zinc/24/21/85/565242185.db2.gz DVQVSJUIFIMBRF-HNNXBMFYSA-N 1 3 384.362 2.688 20 0 GFADHO Cc1ccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Br)c1 ZINC000617503319 565242189 /nfs/dbraw/zinc/24/21/89/565242189.db2.gz DVQVSJUIFIMBRF-HNNXBMFYSA-N 1 3 384.362 2.688 20 0 GFADHO Cc1c([C@@H](C)NCC2CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000643497868 565434456 /nfs/dbraw/zinc/43/44/56/565434456.db2.gz STPXJAWSUKIQTE-GFCCVEGCSA-N 1 3 378.318 2.988 20 0 GFADHO CN(C)C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000670133250 565716189 /nfs/dbraw/zinc/71/61/89/565716189.db2.gz CHOUTHXTQVJRID-SJLPKXTDSA-N 1 3 384.977 2.679 20 0 GFADHO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC2(CC[NH2+]C2)CC1 ZINC000629532210 565857838 /nfs/dbraw/zinc/85/78/38/565857838.db2.gz RGSXRVRURKBZLX-INIZCTEOSA-N 1 3 378.314 2.778 20 0 GFADHO COc1cc(CNCCCC[N@@H+]2CCC[C@H]2CO)c(F)cc1Br ZINC000631067666 565938779 /nfs/dbraw/zinc/93/87/79/565938779.db2.gz DVZLPOFHTAGYPD-AWEZNQCLSA-N 1 3 389.309 2.923 20 0 GFADHO COc1cc(CNCCCC[N@H+]2CCC[C@H]2CO)c(F)cc1Br ZINC000631067666 565938782 /nfs/dbraw/zinc/93/87/82/565938782.db2.gz DVZLPOFHTAGYPD-AWEZNQCLSA-N 1 3 389.309 2.923 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Br)cnc1C1CC1 ZINC000824826918 660403032 /nfs/dbraw/zinc/40/30/32/660403032.db2.gz TZLOXZOKCZHQSX-ZDUSSCGKSA-N 1 3 397.361 2.723 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Br)cnc1C1CC1 ZINC000824826918 660403034 /nfs/dbraw/zinc/40/30/34/660403034.db2.gz TZLOXZOKCZHQSX-ZDUSSCGKSA-N 1 3 397.361 2.723 20 0 GFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000849088013 661691440 /nfs/dbraw/zinc/69/14/40/661691440.db2.gz NGGFZPOZNVOQDB-HIFRSBDPSA-N 1 3 383.334 2.815 20 0 GFADHO O=S1(=O)CC[C@H](NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc(Br)ccc21 ZINC000873261926 662804625 /nfs/dbraw/zinc/80/46/25/662804625.db2.gz TZBHBZNAAKKOSD-AEIGPULVSA-N 1 3 399.354 2.788 20 0 GFADHO C[C@]1(Br)C[C@H]1C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000893354363 663408025 /nfs/dbraw/zinc/40/80/25/663408025.db2.gz JUOUHVWDKYZLFP-HKUYNNGSSA-N 1 3 394.357 2.775 20 0 GFADHO CC[NH+](CC)CCC[C@@H](C)NCc1cn(C)nc1I ZINC000894384720 663459280 /nfs/dbraw/zinc/45/92/80/663459280.db2.gz PMKOPFLKPYSIMS-GFCCVEGCSA-N 1 3 378.302 2.625 20 0 GFADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923384430 664629325 /nfs/dbraw/zinc/62/93/25/664629325.db2.gz XKZPEBFQWNHNEY-IACUBPJLSA-N 1 3 377.710 2.702 20 0 GFADHO C[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Br)n1 ZINC000924687259 664659584 /nfs/dbraw/zinc/65/95/84/664659584.db2.gz ANLUPWAUEHLWOQ-AWEZNQCLSA-N 1 3 390.329 2.842 20 0 GFADHO CN(Cc1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164873530 721159344 /nfs/dbraw/zinc/15/93/44/721159344.db2.gz INHIJPPKBYLYEU-FGZHOGPDSA-N 1 3 393.535 2.551 20 0 GFADHO CN(Cc1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164873530 721159347 /nfs/dbraw/zinc/15/93/47/721159347.db2.gz INHIJPPKBYLYEU-FGZHOGPDSA-N 1 3 393.535 2.551 20 0 GFADHO c1cncc(CN2CCO[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164985504 722130368 /nfs/dbraw/zinc/13/03/68/722130368.db2.gz ZRJXBKIRFQOACY-IFMALSPDSA-N 1 3 393.535 2.804 20 0 GFADHO O[C@@H](COc1ccc(Br)cc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047970422 551155189 /nfs/dbraw/zinc/15/51/89/551155189.db2.gz JMSUKXJODCFKJD-GOSISDBHSA-N 1 3 397.357 2.997 20 0 GFADHO CC(C)([NH3+])CC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000236839072 553072039 /nfs/dbraw/zinc/07/20/39/553072039.db2.gz BDSBXQGTMMXJNN-UHFFFAOYSA-N 1 3 398.345 2.536 20 0 GFADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000262510444 553171859 /nfs/dbraw/zinc/17/18/59/553171859.db2.gz LSDPLWHMTFEFRD-ZEIJEMSESA-N 1 3 382.291 2.746 20 0 GFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sccc1Br ZINC000505816753 564190494 /nfs/dbraw/zinc/19/04/94/564190494.db2.gz AOQZBXFCPLLRAG-ZDUSSCGKSA-N 1 3 388.375 2.999 20 0 GFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000570125391 564492472 /nfs/dbraw/zinc/49/24/72/564492472.db2.gz KUTLBLBMQOYGKA-AWEZNQCLSA-N 1 3 385.350 2.645 20 0 GFADHO C[C@@H](C[NH3+])CNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000418480009 563217990 /nfs/dbraw/zinc/21/79/90/563217990.db2.gz BYXQPXNWJAMQNE-AWEZNQCLSA-N 1 3 397.361 2.650 20 0 GFADHO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCCCN1 ZINC000422907472 563350926 /nfs/dbraw/zinc/35/09/26/563350926.db2.gz LHOLEKLGMHEAKB-PBHICJAKSA-N 1 3 382.346 2.918 20 0 GFADHO FC(F)(F)[C@H](CN[C@@H]1CCc2cc(Br)ccc21)N1CC[NH2+]CC1 ZINC000423384219 563360522 /nfs/dbraw/zinc/36/05/22/563360522.db2.gz KATRZPRCDLJNDF-CABCVRRESA-N 1 3 392.263 2.862 20 0 GFADHO Cc1ccc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)c(Br)c1 ZINC000414482467 563744487 /nfs/dbraw/zinc/74/44/87/563744487.db2.gz LQEACYLYEPNOHL-UHFFFAOYSA-N 1 3 396.373 2.644 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2csc(Br)c2)C2CC2)C1 ZINC000414711315 563751083 /nfs/dbraw/zinc/75/10/83/563751083.db2.gz SGMVUWVWJUMLMT-LBPRGKRZSA-N 1 3 386.359 2.672 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2csc(Br)c2)C2CC2)C1 ZINC000414711315 563751085 /nfs/dbraw/zinc/75/10/85/563751085.db2.gz SGMVUWVWJUMLMT-LBPRGKRZSA-N 1 3 386.359 2.672 20 0 GFADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000414753380 563751760 /nfs/dbraw/zinc/75/17/60/563751760.db2.gz DMFBZGPDYLUHLW-QWHCGFSZSA-N 1 3 386.359 2.845 20 0 GFADHO C[C@@H](N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ncc(Br)cc1F ZINC000364462317 563753970 /nfs/dbraw/zinc/75/39/70/563753970.db2.gz CFZJIPKPDZLAFG-OCCSQVGLSA-N 1 3 385.325 2.802 20 0 GFADHO C[C@@H](N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ncc(Br)cc1F ZINC000364462317 563753973 /nfs/dbraw/zinc/75/39/73/563753973.db2.gz CFZJIPKPDZLAFG-OCCSQVGLSA-N 1 3 385.325 2.802 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCNC[C@@H]2C)CC1 ZINC000414940806 563755018 /nfs/dbraw/zinc/75/50/18/563755018.db2.gz KLYPZAPAFHADOH-KSSFIOAISA-N 1 3 394.357 2.950 20 0 GFADHO COC[C@]1(CNC2CCN(Cc3ccccc3Br)CC2)CCC[NH2+]1 ZINC000414944399 563755475 /nfs/dbraw/zinc/75/54/75/563755475.db2.gz NZSIPGCYJFGBIM-LJQANCHMSA-N 1 3 396.373 2.772 20 0 GFADHO COC[C@]1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCN1 ZINC000414944399 563755479 /nfs/dbraw/zinc/75/54/79/563755479.db2.gz NZSIPGCYJFGBIM-LJQANCHMSA-N 1 3 396.373 2.772 20 0 GFADHO Cc1c([C@@H](C)NCC[C@H]2CC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000567638508 564381326 /nfs/dbraw/zinc/38/13/26/564381326.db2.gz MBVJTILLEKJXMT-TZMCWYRMSA-N 1 3 378.318 2.988 20 0 GFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000567639968 564381691 /nfs/dbraw/zinc/38/16/91/564381691.db2.gz QVPLKVISXTZQOZ-BRWVUGGUSA-N 1 3 385.599 2.659 20 0 GFADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000571681747 564562038 /nfs/dbraw/zinc/56/20/38/564562038.db2.gz DDRJEKGUGZZOJI-BHYGNILZSA-N 1 3 394.357 2.948 20 0 GFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1sccc1Br ZINC000572028223 564578271 /nfs/dbraw/zinc/57/82/71/564578271.db2.gz NOSQTMZASCNRTD-YVLXSGLVSA-N 1 3 386.359 2.808 20 0 GFADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252862 564695648 /nfs/dbraw/zinc/69/56/48/564695648.db2.gz PUXPTCOIQJBNLU-CABCVRRESA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252862 564695651 /nfs/dbraw/zinc/69/56/51/564695651.db2.gz PUXPTCOIQJBNLU-CABCVRRESA-N 1 3 391.339 2.824 20 0 GFADHO Brc1ccc(OCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530236984 564873080 /nfs/dbraw/zinc/87/30/80/564873080.db2.gz AUWNFGGHWMKAGV-SFHVURJKSA-N 1 3 383.330 2.918 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(Br)cc1 ZINC000664026108 565449158 /nfs/dbraw/zinc/44/91/58/565449158.db2.gz YNBDESDGHQHGKR-AWEZNQCLSA-N 1 3 385.350 2.520 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(Br)cc1 ZINC000664026108 565449162 /nfs/dbraw/zinc/44/91/62/565449162.db2.gz YNBDESDGHQHGKR-AWEZNQCLSA-N 1 3 385.350 2.520 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(Br)ccc1F ZINC000666046779 565520822 /nfs/dbraw/zinc/52/08/22/565520822.db2.gz FFILGCVQOMUQQU-LBPRGKRZSA-N 1 3 389.313 2.982 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(Br)ccc1F ZINC000666046779 565520824 /nfs/dbraw/zinc/52/08/24/565520824.db2.gz FFILGCVQOMUQQU-LBPRGKRZSA-N 1 3 389.313 2.982 20 0 GFADHO COc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000821809959 599415206 /nfs/dbraw/zinc/41/52/06/599415206.db2.gz UORREBVIFAHCOI-UHFFFAOYSA-N 1 3 392.507 2.877 20 0 GFADHO COc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000821809959 599415208 /nfs/dbraw/zinc/41/52/08/599415208.db2.gz UORREBVIFAHCOI-UHFFFAOYSA-N 1 3 392.507 2.877 20 0 GFADHO Cc1nn(C)c(CNCCc2ccc(OCC[NH+](C)C)cc2)c1Br ZINC000279171421 655327619 /nfs/dbraw/zinc/32/76/19/655327619.db2.gz QVKIVKIWKFLHJP-UHFFFAOYSA-N 1 3 395.345 2.764 20 0 GFADHO C[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ncc1F ZINC000762743363 656057433 /nfs/dbraw/zinc/05/74/33/656057433.db2.gz BANKDGAUIMQWNH-STQMWFEESA-N 1 3 385.325 2.802 20 0 GFADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CC2(Br)CC2)CC1 ZINC000846834210 661567286 /nfs/dbraw/zinc/56/72/86/661567286.db2.gz YWDSAEUEFHMOKZ-UHFFFAOYSA-N 1 3 386.378 2.618 20 0 GFADHO O[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)CN1CCCC1 ZINC000872027972 662754076 /nfs/dbraw/zinc/75/40/76/662754076.db2.gz OPQPZXYOFXTQEA-KBAYOESNSA-N 1 3 383.330 2.573 20 0 GFADHO Cc1ccnc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1Br ZINC000877527315 662878042 /nfs/dbraw/zinc/87/80/42/662878042.db2.gz YNWLNUIQCVSNFI-MRXNPFEDSA-N 1 3 381.362 2.753 20 0 GFADHO Cn1cc(CNCCCCCCC[NH+](C)C)c(I)n1 ZINC000894208486 663448677 /nfs/dbraw/zinc/44/86/77/663448677.db2.gz INGQUEBFKPFTMI-UHFFFAOYSA-N 1 3 378.302 2.626 20 0 GFADHO CN(Cc1cnc(CC(F)(F)F)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894459854 663462999 /nfs/dbraw/zinc/46/29/99/663462999.db2.gz PYJZDLWGZIMEHB-CQSZACIVSA-N 1 3 376.492 2.848 20 0 GFADHO Cc1c(C[C@@H](CN)C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)cnn1C ZINC000903936214 663812742 /nfs/dbraw/zinc/81/27/42/663812742.db2.gz ZGIYFZBQLGXCGE-MDVLYUJXSA-N 1 3 389.341 2.536 20 0 GFADHO Cc1c(C[C@@H](C[NH3+])CN[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)cnn1C ZINC000903936214 663812744 /nfs/dbraw/zinc/81/27/44/663812744.db2.gz ZGIYFZBQLGXCGE-MDVLYUJXSA-N 1 3 389.341 2.536 20 0 GFADHO CN1CCN(CC[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1(C)C ZINC000926358362 664688646 /nfs/dbraw/zinc/68/86/46/664688646.db2.gz XSAJCWVWIMFFKP-INIZCTEOSA-N 1 3 381.362 2.837 20 0 GFADHO C[C@H](C(=O)Nc1cccc(Br)c1)N(C)CCCN(C)CC[NH+](C)C ZINC000579767394 677673499 /nfs/dbraw/zinc/67/34/99/677673499.db2.gz FQLIULSIHCTDGI-OAHLLOKOSA-N 1 3 399.377 2.591 20 0 GFADHO CN1CCCN(CCC[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000246857360 553114278 /nfs/dbraw/zinc/11/42/78/553114278.db2.gz BUBYLMDZIWHQBO-IBGZPJMESA-N 1 3 380.374 2.924 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)s1 ZINC000247021935 553117204 /nfs/dbraw/zinc/11/72/04/553117204.db2.gz MXQWZTGRNODPPO-BFYDXBDKSA-N 1 3 387.615 2.639 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)s1 ZINC000247021935 553117205 /nfs/dbraw/zinc/11/72/05/553117205.db2.gz MXQWZTGRNODPPO-BFYDXBDKSA-N 1 3 387.615 2.639 20 0 GFADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000423096229 563355163 /nfs/dbraw/zinc/35/51/63/563355163.db2.gz OEAZBLBHGUFHID-ZACQAIPSSA-N 1 3 399.320 2.725 20 0 GFADHO CCOC(=O)C1([C@H](C)NCc2ccsc2Br)CC[NH2+]CC1 ZINC000423116870 563356131 /nfs/dbraw/zinc/35/61/31/563356131.db2.gz RVFGYXBDEQDBMR-NSHDSACASA-N 1 3 375.332 2.922 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423154267 563357178 /nfs/dbraw/zinc/35/71/78/563357178.db2.gz JEKLYEUOVXPAHX-JKIFEVAISA-N 1 3 385.346 2.586 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423154267 563357179 /nfs/dbraw/zinc/35/71/79/563357179.db2.gz JEKLYEUOVXPAHX-JKIFEVAISA-N 1 3 385.346 2.586 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@H]2CCCCC[C@@H]2[NH3+])cc1Br ZINC000423154886 563357193 /nfs/dbraw/zinc/35/71/93/563357193.db2.gz KHIIKVSVDWOXDA-XIRDDKMYSA-N 1 3 385.346 2.858 20 0 GFADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423268271 563359421 /nfs/dbraw/zinc/35/94/21/563359421.db2.gz FTFGFLPNOBMHLB-MNOVXSKESA-N 1 3 380.341 2.681 20 0 GFADHO C[C@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Br)cc1 ZINC000391804962 563525437 /nfs/dbraw/zinc/52/54/37/563525437.db2.gz VJERENNGDPLPMV-CWRNSKLLSA-N 1 3 380.330 2.558 20 0 GFADHO OCCN1CCN(CCCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432243101 563577960 /nfs/dbraw/zinc/57/79/60/563577960.db2.gz RWLQONYGKJUVCY-UHFFFAOYSA-N 1 3 378.319 2.612 20 0 GFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414282556 563724431 /nfs/dbraw/zinc/72/44/31/563724431.db2.gz HQOQEQMQSGYJIH-GJZGRUSLSA-N 1 3 387.977 2.835 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000414681809 563750303 /nfs/dbraw/zinc/75/03/03/563750303.db2.gz WQYVMDJMDQOZFG-OAHLLOKOSA-N 1 3 380.330 2.611 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000414681809 563750305 /nfs/dbraw/zinc/75/03/05/563750305.db2.gz WQYVMDJMDQOZFG-OAHLLOKOSA-N 1 3 380.330 2.611 20 0 GFADHO [NH3+]CCCN(Cc1cc(=O)n2cc(Br)ccc2n1)CC1CCCC1 ZINC000567889231 564394807 /nfs/dbraw/zinc/39/48/07/564394807.db2.gz DITGYFAGRVPOPO-UHFFFAOYSA-N 1 3 393.329 2.798 20 0 GFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000482889958 564552849 /nfs/dbraw/zinc/55/28/49/564552849.db2.gz MQECNKODDWSXOW-GOSISDBHSA-N 1 3 394.357 2.969 20 0 GFADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000571681751 564561412 /nfs/dbraw/zinc/56/14/12/564561412.db2.gz DDRJEKGUGZZOJI-USXIJHARSA-N 1 3 394.357 2.948 20 0 GFADHO C[C@@H]1C[N@H+](CCOc2cccc(Br)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490983275 564784498 /nfs/dbraw/zinc/78/44/98/564784498.db2.gz BTXZGERAXIQFHY-VQIMIIECSA-N 1 3 396.373 2.786 20 0 GFADHO C[C@@H]1C[N@@H+](CCOc2cccc(Br)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490983275 564784500 /nfs/dbraw/zinc/78/45/00/564784500.db2.gz BTXZGERAXIQFHY-VQIMIIECSA-N 1 3 396.373 2.786 20 0 GFADHO CN(C)CCN(C)c1ccc(Br)cc1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636066536 565089000 /nfs/dbraw/zinc/08/90/00/565089000.db2.gz VZGJZJZTYDIDTP-CQSZACIVSA-N 1 3 397.361 2.727 20 0 GFADHO CN(C)CCN(C)c1ccc(Br)cc1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636066536 565089006 /nfs/dbraw/zinc/08/90/06/565089006.db2.gz VZGJZJZTYDIDTP-CQSZACIVSA-N 1 3 397.361 2.727 20 0 GFADHO CC(C)(O)CN1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000638439616 565196090 /nfs/dbraw/zinc/19/60/90/565196090.db2.gz IGCPUGFWFOFVHX-UHFFFAOYSA-N 1 3 399.329 2.545 20 0 GFADHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Br)s1 ZINC000617506207 565244190 /nfs/dbraw/zinc/24/41/90/565244190.db2.gz FOCCCDZGVQJSGR-NSHDSACASA-N 1 3 376.364 2.821 20 0 GFADHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Br)s1 ZINC000617506207 565244195 /nfs/dbraw/zinc/24/41/95/565244195.db2.gz FOCCCDZGVQJSGR-NSHDSACASA-N 1 3 376.364 2.821 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1csc(Br)c1 ZINC000663703911 565431679 /nfs/dbraw/zinc/43/16/79/565431679.db2.gz DDLIAHFHIMRCJV-LBPRGKRZSA-N 1 3 391.379 2.582 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1csc(Br)c1 ZINC000663703911 565431681 /nfs/dbraw/zinc/43/16/81/565431681.db2.gz DDLIAHFHIMRCJV-LBPRGKRZSA-N 1 3 391.379 2.582 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccccc1Br ZINC000663856648 565439814 /nfs/dbraw/zinc/43/98/14/565439814.db2.gz ATZZRAOKZAWANC-AWEZNQCLSA-N 1 3 385.350 2.520 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccccc1Br ZINC000663856648 565439819 /nfs/dbraw/zinc/43/98/19/565439819.db2.gz ATZZRAOKZAWANC-AWEZNQCLSA-N 1 3 385.350 2.520 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Br)cc1F ZINC000664317464 565458673 /nfs/dbraw/zinc/45/86/73/565458673.db2.gz ZVLYEZJACFRVML-LBPRGKRZSA-N 1 3 389.313 2.982 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Br)cc1F ZINC000664317464 565458681 /nfs/dbraw/zinc/45/86/81/565458681.db2.gz ZVLYEZJACFRVML-LBPRGKRZSA-N 1 3 389.313 2.982 20 0 GFADHO Brc1ccc(-c2n[n-]c(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000647791451 565676558 /nfs/dbraw/zinc/67/65/58/565676558.db2.gz DGSUKXZNMSSYFB-VNHYZAJKSA-N 1 3 376.302 2.712 20 0 GFADHO Brc1ccc(-c2nnc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[n-]2)cc1 ZINC000647791451 565676562 /nfs/dbraw/zinc/67/65/62/565676562.db2.gz DGSUKXZNMSSYFB-VNHYZAJKSA-N 1 3 376.302 2.712 20 0 GFADHO CN1CCC(O)(C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679341879 566037584 /nfs/dbraw/zinc/03/75/84/566037584.db2.gz YUKXXSUHSYOFPP-SJORKVTESA-N 1 3 383.330 2.716 20 0 GFADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(I)cc1 ZINC000610821862 566101581 /nfs/dbraw/zinc/10/15/81/566101581.db2.gz XUGYOXDIAMQGRI-OAHLLOKOSA-N 1 3 388.293 2.789 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635443136 566213529 /nfs/dbraw/zinc/21/35/29/566213529.db2.gz FODAOANKGDPXKG-MRXNPFEDSA-N 1 3 382.346 2.681 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635443136 566213534 /nfs/dbraw/zinc/21/35/34/566213534.db2.gz FODAOANKGDPXKG-MRXNPFEDSA-N 1 3 382.346 2.681 20 0 GFADHO N[C@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916524 660211917 /nfs/dbraw/zinc/21/19/17/660211917.db2.gz GYGALLBORQVFSG-LSDHHAIUSA-N 1 3 380.432 2.609 20 0 GFADHO CN1CCC(O)(C[NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000268126938 654959852 /nfs/dbraw/zinc/95/98/52/654959852.db2.gz OJODQAJANILMRB-UHFFFAOYSA-N 1 3 392.135 2.758 20 0 GFADHO C[C@@H](CN1CCC(C(=O)NCC[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000092615844 655014944 /nfs/dbraw/zinc/01/49/44/655014944.db2.gz GWGIDTDRSUZLSQ-HNNXBMFYSA-N 1 3 396.373 2.942 20 0 GFADHO CSc1ccc([C@H](CNC(=S)NCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000840767708 661185372 /nfs/dbraw/zinc/18/53/72/661185372.db2.gz QQMZPCUPFMMUNJ-SFHVURJKSA-N 1 3 380.627 2.817 20 0 GFADHO C[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ncc1F ZINC000762743354 656057526 /nfs/dbraw/zinc/05/75/26/656057526.db2.gz BANKDGAUIMQWNH-CHWSQXEVSA-N 1 3 385.325 2.802 20 0 GFADHO C[C@@H]1[C@H](COC(=O)C2CCN(c3ccccc3Br)C2=O)CC[N@@H+]1C ZINC000845815374 661498746 /nfs/dbraw/zinc/49/87/46/661498746.db2.gz YYFUBZVJHHAHNM-HZSPNIEDSA-N 1 3 395.297 2.685 20 0 GFADHO C[C@@H]1[C@H](COC(=O)C2CCN(c3ccccc3Br)C2=O)CC[N@H+]1C ZINC000845815374 661498749 /nfs/dbraw/zinc/49/87/49/661498749.db2.gz YYFUBZVJHHAHNM-HZSPNIEDSA-N 1 3 395.297 2.685 20 0 GFADHO Cc1c(C[C@H](CN)C[NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)cnn1C ZINC000903937786 663812775 /nfs/dbraw/zinc/81/27/75/663812775.db2.gz RFJBJDPVOXETSF-YJQAKTFBSA-N 1 3 389.341 2.536 20 0 GFADHO Cc1c(C[C@H](C[NH3+])CN[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)cnn1C ZINC000903937786 663812777 /nfs/dbraw/zinc/81/27/77/663812777.db2.gz RFJBJDPVOXETSF-YJQAKTFBSA-N 1 3 389.341 2.536 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925565931 664673138 /nfs/dbraw/zinc/67/31/38/664673138.db2.gz BFEYZJFYTOEOGG-HZPDHXFCSA-N 1 3 380.330 2.657 20 0 GFADHO c1nc2n(c1CN1CCCC1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164736300 720580872 /nfs/dbraw/zinc/58/08/72/720580872.db2.gz HKDJJSFRNQKIAE-UHFFFAOYSA-N 1 3 380.540 2.532 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(F)cc3Br)CC2)CC1 ZINC000050801375 551161395 /nfs/dbraw/zinc/16/13/95/551161395.db2.gz KSAMARAAVCWPOT-UHFFFAOYSA-N 1 3 398.320 2.877 20 0 GFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000127987936 551345639 /nfs/dbraw/zinc/34/56/39/551345639.db2.gz AZWVRXNFGVOQME-SJCJKPOMSA-N 1 3 398.320 2.753 20 0 GFADHO CC(C)[C@@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418419932 563217260 /nfs/dbraw/zinc/21/72/60/563217260.db2.gz ZTTAYHVKXGYSPM-INIZCTEOSA-N 1 3 385.350 2.506 20 0 GFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896349 563349603 /nfs/dbraw/zinc/34/96/03/563349603.db2.gz XVKVQJJLPNZXCF-GDIGMMSISA-N 1 3 396.373 2.755 20 0 GFADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000423057453 563353709 /nfs/dbraw/zinc/35/37/09/563353709.db2.gz ZTQIFNXNRVPJCR-RHSMWYFYSA-N 1 3 398.345 2.596 20 0 GFADHO COC[C@H](CCC[NH3+])NCc1ccc(I)c(Cl)c1 ZINC000423115981 563355904 /nfs/dbraw/zinc/35/59/04/563355904.db2.gz ONDJETRMDRIRSI-NSHDSACASA-N 1 3 382.673 2.788 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423154266 563357131 /nfs/dbraw/zinc/35/71/31/563357131.db2.gz JEKLYEUOVXPAHX-GRDNDAEWSA-N 1 3 385.346 2.586 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423154266 563357132 /nfs/dbraw/zinc/35/71/32/563357132.db2.gz JEKLYEUOVXPAHX-GRDNDAEWSA-N 1 3 385.346 2.586 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000423162031 563358004 /nfs/dbraw/zinc/35/80/04/563358004.db2.gz OTWKHEZYKFDSKJ-ZQIUZPCESA-N 1 3 385.346 2.716 20 0 GFADHO COc1ccc2c(c1)[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423388605 563360528 /nfs/dbraw/zinc/36/05/28/563360528.db2.gz MZHOWUNGKDZDQO-HOCLYGCPSA-N 1 3 375.460 2.658 20 0 GFADHO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CNCCCO1 ZINC000423496387 563361455 /nfs/dbraw/zinc/36/14/55/563361455.db2.gz WTEZBKUIYMIFKI-XJKSGUPXSA-N 1 3 388.293 2.580 20 0 GFADHO C[C@@H](CCc1ccc(I)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000423496387 563361456 /nfs/dbraw/zinc/36/14/56/563361456.db2.gz WTEZBKUIYMIFKI-XJKSGUPXSA-N 1 3 388.293 2.580 20 0 GFADHO C[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434673 563506627 /nfs/dbraw/zinc/50/66/27/563506627.db2.gz SZYCSFSBYJXOFV-DHSIGJKJSA-N 1 3 379.551 2.739 20 0 GFADHO C[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434673 563506630 /nfs/dbraw/zinc/50/66/30/563506630.db2.gz SZYCSFSBYJXOFV-DHSIGJKJSA-N 1 3 379.551 2.739 20 0 GFADHO CC(C)SCCN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000286936312 563580844 /nfs/dbraw/zinc/58/08/44/563580844.db2.gz GPYDUNWRYLVNLF-INIZCTEOSA-N 1 3 387.615 2.709 20 0 GFADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC2CC(c3cccc(Br)c3)C2)C1 ZINC000432410011 563583340 /nfs/dbraw/zinc/58/33/40/563583340.db2.gz LAOSIQHPVDGRNZ-KLHKWILBSA-N 1 3 394.357 2.872 20 0 GFADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC2CC(c3cccc(Br)c3)C2)C1 ZINC000432410011 563583342 /nfs/dbraw/zinc/58/33/42/563583342.db2.gz LAOSIQHPVDGRNZ-KLHKWILBSA-N 1 3 394.357 2.872 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2csc(Br)c2)C2CC2)C1 ZINC000414711309 563750885 /nfs/dbraw/zinc/75/08/85/563750885.db2.gz SGMVUWVWJUMLMT-GFCCVEGCSA-N 1 3 386.359 2.672 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2csc(Br)c2)C2CC2)C1 ZINC000414711309 563750889 /nfs/dbraw/zinc/75/08/89/563750889.db2.gz SGMVUWVWJUMLMT-GFCCVEGCSA-N 1 3 386.359 2.672 20 0 GFADHO [NH3+]CC(=O)N1CCC[C@@H](CN(Cc2cc(Br)ccc2F)C2CC2)C1 ZINC000414726791 563751065 /nfs/dbraw/zinc/75/10/65/563751065.db2.gz ADQLYLMMBYVSSR-CYBMUJFWSA-N 1 3 398.320 2.750 20 0 GFADHO C[C@H](N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ncc(Br)cc1F ZINC000364462316 563753790 /nfs/dbraw/zinc/75/37/90/563753790.db2.gz CFZJIPKPDZLAFG-JSGCOSHPSA-N 1 3 385.325 2.802 20 0 GFADHO C[C@H](N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ncc(Br)cc1F ZINC000364462316 563753793 /nfs/dbraw/zinc/75/37/93/563753793.db2.gz CFZJIPKPDZLAFG-JSGCOSHPSA-N 1 3 385.325 2.802 20 0 GFADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000564798513 564250172 /nfs/dbraw/zinc/25/01/72/564250172.db2.gz YXKIWUKBXVCEGE-KGLIPLIRSA-N 1 3 385.350 2.648 20 0 GFADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000564826287 564250878 /nfs/dbraw/zinc/25/08/78/564250878.db2.gz KIGXXXRHNVLROT-ZACQAIPSSA-N 1 3 380.330 2.689 20 0 GFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]21 ZINC000566562207 564332832 /nfs/dbraw/zinc/33/28/32/564332832.db2.gz OKWKKVIJSBOONJ-ZFVVBOAOSA-N 1 3 378.314 2.614 20 0 GFADHO C[C@H](NCC1CC[NH+](C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479056582 564424128 /nfs/dbraw/zinc/42/41/28/564424128.db2.gz HVNNRVVDJXBCGH-JTQLQIEISA-N 1 3 380.341 2.633 20 0 GFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)c(I)c1 ZINC000453119908 564447016 /nfs/dbraw/zinc/44/70/16/564447016.db2.gz JQAZCFBYLCSBHK-LLVKDONJSA-N 1 3 392.256 2.538 20 0 GFADHO C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1=CCN(C)CC1 ZINC000519597210 564583384 /nfs/dbraw/zinc/58/33/84/564583384.db2.gz QISSHUQGDJDLTB-MLGOLLRUSA-N 1 3 387.293 2.568 20 0 GFADHO COc1cc(Br)ccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000573488099 564640445 /nfs/dbraw/zinc/64/04/45/564640445.db2.gz OMDOKNZSMUTQAP-UHFFFAOYSA-N 1 3 384.362 2.916 20 0 GFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3ccc(Br)cc3F)C[C@H]21 ZINC000573685256 564649591 /nfs/dbraw/zinc/64/95/91/564649591.db2.gz ZMPGTZFLJDPEAG-NJZAAPMLSA-N 1 3 384.293 2.976 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1c(F)cc(F)cc1Br ZINC000579663530 564750954 /nfs/dbraw/zinc/75/09/54/564750954.db2.gz JXMDZXRTWWSZLP-UHFFFAOYSA-N 1 3 393.276 2.684 20 0 GFADHO CC1CC[NH+](C[C@@H](O)CN[C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555550147 564797657 /nfs/dbraw/zinc/79/76/57/564797657.db2.gz JQPXOKKFZLNTJL-IRXDYDNUSA-N 1 3 381.358 2.989 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000561569682 565003005 /nfs/dbraw/zinc/00/30/05/565003005.db2.gz FWAUJKFUBCOBQR-UHFFFAOYSA-N 1 3 376.879 2.567 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1cc(Br)cs1 ZINC000617505952 565242321 /nfs/dbraw/zinc/24/23/21/565242321.db2.gz WFPXYCGLAOYAAJ-ZDUSSCGKSA-N 1 3 390.391 2.831 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1cc(Br)cs1 ZINC000617505952 565242322 /nfs/dbraw/zinc/24/23/22/565242322.db2.gz WFPXYCGLAOYAAJ-ZDUSSCGKSA-N 1 3 390.391 2.831 20 0 GFADHO Cc1c2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)[nH]c2ccc1Br ZINC000668302803 565638494 /nfs/dbraw/zinc/63/84/94/565638494.db2.gz QPYIUQRKSVGFGV-UHFFFAOYSA-N 1 3 395.345 2.804 20 0 GFADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000648753929 565726182 /nfs/dbraw/zinc/72/61/82/565726182.db2.gz OADWIBNFINPDBS-RHSMWYFYSA-N 1 3 382.346 2.680 20 0 GFADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000648753929 565726187 /nfs/dbraw/zinc/72/61/87/565726187.db2.gz OADWIBNFINPDBS-RHSMWYFYSA-N 1 3 382.346 2.680 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000607237759 565981628 /nfs/dbraw/zinc/98/16/28/565981628.db2.gz BRYBODPWZBDXFG-UHFFFAOYSA-N 1 3 375.344 2.671 20 0 GFADHO CC1CCN([C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c2cccs2)CC1 ZINC000655912769 566095828 /nfs/dbraw/zinc/09/58/28/566095828.db2.gz PCIBDYFRWOHOPA-GXTWGEPZSA-N 1 3 378.464 2.710 20 0 GFADHO C[C@H](N[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH+](C)CC1 ZINC000683695751 566210540 /nfs/dbraw/zinc/21/05/40/566210540.db2.gz NBVXTLAMUCNKQW-GUYCJALGSA-N 1 3 380.330 2.874 20 0 GFADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1Br ZINC000819083903 660245846 /nfs/dbraw/zinc/24/58/46/660245846.db2.gz HRXCGRWUSJQDAT-KDOFPFPSSA-N 1 3 383.330 2.573 20 0 GFADHO CN(Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000277329183 655313418 /nfs/dbraw/zinc/31/34/18/655313418.db2.gz CNWAYGMPZXTLHR-ZWKOTPCHSA-N 1 3 383.330 2.891 20 0 GFADHO CN(Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000277329183 655313421 /nfs/dbraw/zinc/31/34/21/655313421.db2.gz CNWAYGMPZXTLHR-ZWKOTPCHSA-N 1 3 383.330 2.891 20 0 GFADHO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000873274411 662804787 /nfs/dbraw/zinc/80/47/87/662804787.db2.gz DDHLHDOMUNVUFI-FYFSBDKLSA-N 1 3 377.326 2.834 20 0 GFADHO Cc1cc(C(C)(C)NCC(=O)NC2CC[NH+](C)CC2)ccc1Br ZINC000878634183 662901169 /nfs/dbraw/zinc/90/11/69/662901169.db2.gz XWLIAZKDJASBOB-UHFFFAOYSA-N 1 3 382.346 2.793 20 0 GFADHO O=C1O[C@H](CN[C@H]2CCc3c2cc(Br)cc3F)CC12CC[NH2+]CC2 ZINC000925851530 664675861 /nfs/dbraw/zinc/67/58/61/664675861.db2.gz FYNNAZGGBCFNTO-LRDDRELGSA-N 1 3 397.288 2.850 20 0 GFADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1cccc(Br)n1)C2 ZINC000926878674 664698208 /nfs/dbraw/zinc/69/82/08/664698208.db2.gz HQLWWEOUARCSOY-DILNWQEPSA-N 1 3 382.346 2.974 20 0 GFADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1cccc(Br)n1)C2 ZINC000926878674 664698209 /nfs/dbraw/zinc/69/82/09/664698209.db2.gz HQLWWEOUARCSOY-DILNWQEPSA-N 1 3 382.346 2.974 20 0 GFADHO C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2)CC1 ZINC001164725322 720471302 /nfs/dbraw/zinc/47/13/02/720471302.db2.gz JOYIALITIRMLHC-FCHUYYIVSA-N 1 3 393.535 2.803 20 0 GFADHO c1ccc(CN2CCc3nc(N4CC[NH+](C[C@@H]5CCCO5)CC4)ccc3C2)cc1 ZINC001165040105 721906162 /nfs/dbraw/zinc/90/61/62/721906162.db2.gz YJYCMPVXRNOYMA-QFIPXVFZSA-N 1 3 392.547 2.941 20 0 GFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124700830 551316615 /nfs/dbraw/zinc/31/66/15/551316615.db2.gz CNGWPPBLDQBTTG-MRXNPFEDSA-N 1 3 398.393 2.574 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Br)c(Cl)c1 ZINC000152682709 551437902 /nfs/dbraw/zinc/43/79/02/551437902.db2.gz MOQPVLHGOZWNPQ-UHFFFAOYSA-N 1 3 376.726 2.668 20 0 GFADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(Br)c1 ZINC000168948997 551634911 /nfs/dbraw/zinc/63/49/11/551634911.db2.gz JSIYFVJWHMFLSW-LJQANCHMSA-N 1 3 398.389 2.880 20 0 GFADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188686381 552452047 /nfs/dbraw/zinc/45/20/47/552452047.db2.gz VATMQZYEZVEJRN-UHFFFAOYSA-N 1 3 384.362 2.963 20 0 GFADHO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCNCC[C@H]2C)c1 ZINC000422901416 563349675 /nfs/dbraw/zinc/34/96/75/563349675.db2.gz CACHJXGFDACSCF-CXAGYDPISA-N 1 3 398.345 2.555 20 0 GFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000423109831 563355577 /nfs/dbraw/zinc/35/55/77/563355577.db2.gz VCSIMVOAHQOJLV-HOTGVXAUSA-N 1 3 387.977 2.909 20 0 GFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(I)c(Cl)c1 ZINC000423116497 563356426 /nfs/dbraw/zinc/35/64/26/563356426.db2.gz QAOFJKVZGOWQRP-NURSFMCSSA-N 1 3 394.684 2.787 20 0 GFADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1 ZINC000423377878 563360431 /nfs/dbraw/zinc/36/04/31/563360431.db2.gz FQBSOLKXTZALPA-FZMZJTMJSA-N 1 3 380.252 2.936 20 0 GFADHO CN1CCC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@H]1c1cccc(Cl)c1 ZINC000376694175 563450789 /nfs/dbraw/zinc/45/07/89/563450789.db2.gz FJHYBRKQSYULOE-SZVBFZGTSA-N 1 3 381.973 2.934 20 0 GFADHO C[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434675 563506670 /nfs/dbraw/zinc/50/66/70/563506670.db2.gz SZYCSFSBYJXOFV-JOQOYGCGSA-N 1 3 379.551 2.739 20 0 GFADHO C[C@H](NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434675 563506672 /nfs/dbraw/zinc/50/66/72/563506672.db2.gz SZYCSFSBYJXOFV-JOQOYGCGSA-N 1 3 379.551 2.739 20 0 GFADHO C[NH+](C)CC1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439461800 563726622 /nfs/dbraw/zinc/72/66/22/563726622.db2.gz MFZFSHDINHKABH-MRXNPFEDSA-N 1 3 389.309 2.602 20 0 GFADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3cccc(Br)c3)CC2)C1 ZINC000414739322 563751427 /nfs/dbraw/zinc/75/14/27/563751427.db2.gz CICBYFNRUVPHOX-OAHLLOKOSA-N 1 3 394.357 2.826 20 0 GFADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)CC1(c2ccc(Br)cc2)CC1 ZINC000414746591 563752020 /nfs/dbraw/zinc/75/20/20/563752020.db2.gz SKVIUDNHYGATAQ-HNNXBMFYSA-N 1 3 394.357 2.610 20 0 GFADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)CC1(c2ccc(Br)cc2)CC1 ZINC000414746591 563752023 /nfs/dbraw/zinc/75/20/23/563752023.db2.gz SKVIUDNHYGATAQ-HNNXBMFYSA-N 1 3 394.357 2.610 20 0 GFADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCC[C@H]2c2ccc(Br)s2)C1 ZINC000414753382 563752033 /nfs/dbraw/zinc/75/20/33/563752033.db2.gz DMFBZGPDYLUHLW-STQMWFEESA-N 1 3 386.359 2.845 20 0 GFADHO CCOC(=O)COc1c(Br)cc(C)cc1CNCC[C@@H]1CC[NH2+]C1 ZINC000414827231 563753556 /nfs/dbraw/zinc/75/35/56/563753556.db2.gz GYMKFRFGLITTAX-AWEZNQCLSA-N 1 3 399.329 2.789 20 0 GFADHO Cc1nc(-c2ccc(CC[NH2+]C[C@@H]3CCCN(C(=O)CN)C3)s2)cs1 ZINC000415088020 563758627 /nfs/dbraw/zinc/75/86/27/563758627.db2.gz LMFIQIISQDTIIT-AWEZNQCLSA-N 1 3 378.567 2.509 20 0 GFADHO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415086846 563758771 /nfs/dbraw/zinc/75/87/71/563758771.db2.gz VDOFVEVIYMDYIA-HNNXBMFYSA-N 1 3 382.346 2.557 20 0 GFADHO CN1CCN(CC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1(C)C ZINC000442874497 563782365 /nfs/dbraw/zinc/78/23/65/563782365.db2.gz MHOQGPFGGOXROP-GOSISDBHSA-N 1 3 380.374 2.922 20 0 GFADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000367247368 563837723 /nfs/dbraw/zinc/83/77/23/563837723.db2.gz URGDHXJIPHCFJR-GRGSLBFTSA-N 1 3 397.357 2.962 20 0 GFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000367247368 563837726 /nfs/dbraw/zinc/83/77/26/563837726.db2.gz URGDHXJIPHCFJR-GRGSLBFTSA-N 1 3 397.357 2.962 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449681577 564195834 /nfs/dbraw/zinc/19/58/34/564195834.db2.gz MCAGDCGOMRWKSK-QGTPRVQTSA-N 1 3 397.357 2.825 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449681577 564195836 /nfs/dbraw/zinc/19/58/36/564195836.db2.gz MCAGDCGOMRWKSK-QGTPRVQTSA-N 1 3 397.357 2.825 20 0 GFADHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000564846572 564252583 /nfs/dbraw/zinc/25/25/83/564252583.db2.gz PVAVZSHCDYMTLW-KRWDZBQOSA-N 1 3 385.346 2.899 20 0 GFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000566116590 564310804 /nfs/dbraw/zinc/31/08/04/564310804.db2.gz PXULMEJETGITRL-XBFCOCLRSA-N 1 3 391.737 2.915 20 0 GFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000566116590 564310807 /nfs/dbraw/zinc/31/08/07/564310807.db2.gz PXULMEJETGITRL-XBFCOCLRSA-N 1 3 391.737 2.915 20 0 GFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000566116583 564310978 /nfs/dbraw/zinc/31/09/78/564310978.db2.gz PXULMEJETGITRL-KWCYVHTRSA-N 1 3 391.737 2.915 20 0 GFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000566116583 564310980 /nfs/dbraw/zinc/31/09/80/564310980.db2.gz PXULMEJETGITRL-KWCYVHTRSA-N 1 3 391.737 2.915 20 0 GFADHO CC(C)(C[NH2+]C[C@@H](O)COc1cccc(Br)c1)CN1CCCC1 ZINC000567582667 564378927 /nfs/dbraw/zinc/37/89/27/564378927.db2.gz UQJKVLHQDFEXAF-MRXNPFEDSA-N 1 3 385.346 2.900 20 0 GFADHO C[C@H]1C[N@H+](CCCNCCC(=O)Nc2ccc(Br)cc2)CCCO1 ZINC000569476498 564465835 /nfs/dbraw/zinc/46/58/35/564465835.db2.gz VBIUKYNPENCNPV-HNNXBMFYSA-N 1 3 398.345 2.868 20 0 GFADHO C[C@H]1C[N@@H+](CCCNCCC(=O)Nc2ccc(Br)cc2)CCCO1 ZINC000569476498 564465837 /nfs/dbraw/zinc/46/58/37/564465837.db2.gz VBIUKYNPENCNPV-HNNXBMFYSA-N 1 3 398.345 2.868 20 0 GFADHO C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1=CCN(C)CC1 ZINC000519597199 564583407 /nfs/dbraw/zinc/58/34/07/564583407.db2.gz QISSHUQGDJDLTB-LRDDRELGSA-N 1 3 387.293 2.568 20 0 GFADHO Cc1[nH+]c2ccc(Br)cc2c(NCCN2CCN(C)CC2)c1C ZINC000462919795 564863112 /nfs/dbraw/zinc/86/31/12/564863112.db2.gz NNKJUJPMWXLXOT-UHFFFAOYSA-N 1 3 377.330 2.695 20 0 GFADHO Cc1cc(F)c(Br)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530494962 564884523 /nfs/dbraw/zinc/88/45/23/564884523.db2.gz MJMPXACQUCMRKT-UHFFFAOYSA-N 1 3 389.313 2.854 20 0 GFADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(F)cc1Br ZINC000558526332 564904121 /nfs/dbraw/zinc/90/41/21/564904121.db2.gz ZUEJTORNRNGJRX-UHFFFAOYSA-N 1 3 389.313 2.854 20 0 GFADHO O=C(C[C@@H]1CSCC[NH2+]1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000583747574 564906003 /nfs/dbraw/zinc/90/60/03/564906003.db2.gz IABNPTKQZAPYLD-GOSISDBHSA-N 1 3 381.973 2.860 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000531357970 564907587 /nfs/dbraw/zinc/90/75/87/564907587.db2.gz XKAKFZUQAHMMCX-IRXDYDNUSA-N 1 3 382.346 2.504 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(Br)c1 ZINC000533576794 564966656 /nfs/dbraw/zinc/96/66/56/564966656.db2.gz ISLAEXFJPJJVTF-UHFFFAOYSA-N 1 3 376.726 2.668 20 0 GFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000638635889 565205958 /nfs/dbraw/zinc/20/59/58/565205958.db2.gz WHDJXISZILUMJG-MRXNPFEDSA-N 1 3 396.373 2.853 20 0 GFADHO C[NH2+]C[C@H](C)NC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000659636933 565221552 /nfs/dbraw/zinc/22/15/52/565221552.db2.gz YMZBJBPYNORQHH-AWEZNQCLSA-N 1 3 397.361 2.663 20 0 GFADHO CN(C)CCOc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1Cl ZINC000662695288 565382365 /nfs/dbraw/zinc/38/23/65/565382365.db2.gz YUJIFCJYVNLFQP-HNNXBMFYSA-N 1 3 379.810 2.761 20 0 GFADHO Cc1c([C@H](C)NCC2CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000643497869 565434540 /nfs/dbraw/zinc/43/45/40/565434540.db2.gz STPXJAWSUKIQTE-LBPRGKRZSA-N 1 3 378.318 2.988 20 0 GFADHO Cc1cc(Br)c(F)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000628050785 565771908 /nfs/dbraw/zinc/77/19/08/565771908.db2.gz MSJZIERDIMEVKV-ZDUSSCGKSA-N 1 3 388.325 2.898 20 0 GFADHO Cc1cc(Br)c(F)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000628050785 565771914 /nfs/dbraw/zinc/77/19/14/565771914.db2.gz MSJZIERDIMEVKV-ZDUSSCGKSA-N 1 3 388.325 2.898 20 0 GFADHO c1cc(OCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc(-c2nnn[n-]2)c1 ZINC000826517469 607750676 /nfs/dbraw/zinc/75/06/76/607750676.db2.gz DGGQQVNWBHDOMU-UHFFFAOYSA-N 1 3 384.528 2.834 20 0 GFADHO c1cc(OCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc(-c2nn[n-]n2)c1 ZINC000826517469 607750677 /nfs/dbraw/zinc/75/06/77/607750677.db2.gz DGGQQVNWBHDOMU-UHFFFAOYSA-N 1 3 384.528 2.834 20 0 GFADHO c1sc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000823786646 606212698 /nfs/dbraw/zinc/21/26/98/606212698.db2.gz ABAKIWRIKQINLC-UHFFFAOYSA-N 1 3 397.552 2.620 20 0 GFADHO c1cc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516371 608429915 /nfs/dbraw/zinc/42/99/15/608429915.db2.gz IDLHPQGSFAWRCD-UHFFFAOYSA-N 1 3 392.507 2.674 20 0 GFADHO c1cc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516371 608429917 /nfs/dbraw/zinc/42/99/17/608429917.db2.gz IDLHPQGSFAWRCD-UHFFFAOYSA-N 1 3 392.507 2.674 20 0 GFADHO O=C(OCCC[NH+]1CCCC1)C1CCN(c2ccccc2Br)C1=O ZINC000800140514 659276088 /nfs/dbraw/zinc/27/60/88/659276088.db2.gz DWUHRRADTKTCCO-AWEZNQCLSA-N 1 3 395.297 2.831 20 0 GFADHO Cc1cc([C@H](N)CC(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc(Cl)n1 ZINC000841857732 661316783 /nfs/dbraw/zinc/31/67/83/661316783.db2.gz WNBYXPYPPKAHHL-CYBMUJFWSA-N 1 3 379.917 2.996 20 0 GFADHO COc1ccc(Br)cc1C1(NC[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903764452 663806138 /nfs/dbraw/zinc/80/61/38/663806138.db2.gz RXLWFLHJMWDXMD-RHSMWYFYSA-N 1 3 381.314 2.805 20 0 GFADHO C[C@@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)CC[C@H]1C[NH3+] ZINC000904410963 663833064 /nfs/dbraw/zinc/83/30/64/663833064.db2.gz RXWDDUAXUDHJNX-CABCVRRESA-N 1 3 382.346 2.702 20 0 GFADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923384431 664629289 /nfs/dbraw/zinc/62/92/89/664629289.db2.gz XKZPEBFQWNHNEY-MRVWCRGKSA-N 1 3 377.710 2.702 20 0 GFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1CN1CCCC1)C2 ZINC001164815216 720198114 /nfs/dbraw/zinc/19/81/14/720198114.db2.gz XDQHSKWZBPZHGI-FYYLOGMGSA-N 1 3 384.568 2.862 20 0 GFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncccc1CN1CCCC1)C2 ZINC001164815216 720198121 /nfs/dbraw/zinc/19/81/21/720198121.db2.gz XDQHSKWZBPZHGI-FYYLOGMGSA-N 1 3 384.568 2.862 20 0 GFADHO c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001164726346 720421054 /nfs/dbraw/zinc/42/10/54/720421054.db2.gz BNKMXEGDBXZXRE-SFTDATJTSA-N 1 3 393.535 2.804 20 0 GFADHO CN1CCC(N(Cc2ccccc2Br)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418416656 563217300 /nfs/dbraw/zinc/21/73/00/563217300.db2.gz RLVUOAOSBQBIJC-UHFFFAOYSA-N 1 3 397.361 2.792 20 0 GFADHO CCOC(=O)C1([C@@H](C)NCc2cc(Br)ccc2OC)CC[NH2+]CC1 ZINC000422951166 563351555 /nfs/dbraw/zinc/35/15/55/563351555.db2.gz ZREBNKUFVREVKB-CYBMUJFWSA-N 1 3 399.329 2.869 20 0 GFADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000423092412 563354588 /nfs/dbraw/zinc/35/45/88/563354588.db2.gz BUNAWZBJINFJTA-QWHCGFSZSA-N 1 3 384.318 2.816 20 0 GFADHO O=S(=O)(NCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423096404 563355560 /nfs/dbraw/zinc/35/55/60/563355560.db2.gz HQZIVWKBOPIACX-UAGQMJEPSA-N 1 3 385.961 2.519 20 0 GFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423196513 563358577 /nfs/dbraw/zinc/35/85/77/563358577.db2.gz ZWTBVSDFOQNNPG-GDIGMMSISA-N 1 3 396.373 2.755 20 0 GFADHO Cc1cc(Br)ccc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414478619 563743529 /nfs/dbraw/zinc/74/35/29/563743529.db2.gz FKHPFBHHYQIMCW-UHFFFAOYSA-N 1 3 396.373 2.644 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCNC[C@H]2C)CC1 ZINC000414940805 563755587 /nfs/dbraw/zinc/75/55/87/563755587.db2.gz KLYPZAPAFHADOH-KDOFPFPSSA-N 1 3 394.357 2.950 20 0 GFADHO CSc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000416038790 563803929 /nfs/dbraw/zinc/80/39/29/563803929.db2.gz FKLXBAHRCRFXGK-KGLIPLIRSA-N 1 3 378.464 2.590 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000449604690 564192084 /nfs/dbraw/zinc/19/20/84/564192084.db2.gz XYCMIYLPPJTABC-YESZJQIVSA-N 1 3 397.357 2.825 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000449604690 564192087 /nfs/dbraw/zinc/19/20/87/564192087.db2.gz XYCMIYLPPJTABC-YESZJQIVSA-N 1 3 397.357 2.825 20 0 GFADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000564826284 564250440 /nfs/dbraw/zinc/25/04/40/564250440.db2.gz KIGXXXRHNVLROT-BBWFWOEESA-N 1 3 380.330 2.689 20 0 GFADHO C[C@H]1C[N@H+](CCCNC[C@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232109 564454589 /nfs/dbraw/zinc/45/45/89/564454589.db2.gz JYELKKIIMJZPIL-HOCLYGCPSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232109 564454593 /nfs/dbraw/zinc/45/45/93/564454593.db2.gz JYELKKIIMJZPIL-HOCLYGCPSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@H](C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)CN1CCCC1 ZINC000569715486 564475377 /nfs/dbraw/zinc/47/53/77/564475377.db2.gz MDAMQJJPXNFRFU-CZUORRHYSA-N 1 3 389.309 2.649 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000560485263 564964856 /nfs/dbraw/zinc/96/48/56/564964856.db2.gz MGLYNXCCMNXLHW-UHFFFAOYSA-N 1 3 394.716 2.807 20 0 GFADHO CS(=O)(=O)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000657613948 565112594 /nfs/dbraw/zinc/11/25/94/565112594.db2.gz YFYBICHYMVPICF-UHFFFAOYSA-N 1 3 379.551 2.548 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000617503323 565242694 /nfs/dbraw/zinc/24/26/94/565242694.db2.gz DZSHPNVMYGZEEI-JCGIZDLHSA-N 1 3 396.373 2.941 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000617503323 565242696 /nfs/dbraw/zinc/24/26/96/565242696.db2.gz DZSHPNVMYGZEEI-JCGIZDLHSA-N 1 3 396.373 2.941 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cc(Br)cs1 ZINC000663705494 565431292 /nfs/dbraw/zinc/43/12/92/565431292.db2.gz WRNXSMRUIULTBH-LBPRGKRZSA-N 1 3 391.379 2.582 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cc(Br)cs1 ZINC000663705494 565431299 /nfs/dbraw/zinc/43/12/99/565431299.db2.gz WRNXSMRUIULTBH-LBPRGKRZSA-N 1 3 391.379 2.582 20 0 GFADHO CN(C)C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000627219864 565726750 /nfs/dbraw/zinc/72/67/50/565726750.db2.gz FEISHSTYBHCUDD-KFWWJZLASA-N 1 3 377.291 2.677 20 0 GFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@H]21 ZINC000629519368 565858154 /nfs/dbraw/zinc/85/81/54/565858154.db2.gz PWSPYQSLGHODSO-DNNBLBMLSA-N 1 3 378.314 2.762 20 0 GFADHO Brc1cccc2c1C[C@@H]1[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)[C@H]21 ZINC000635003220 566187935 /nfs/dbraw/zinc/18/79/35/566187935.db2.gz HCWWWVTWEVVBPI-XOCCCFSASA-N 1 3 377.326 2.834 20 0 GFADHO C[C@H](N[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH+](C)CC1 ZINC000683695752 566210733 /nfs/dbraw/zinc/21/07/33/566210733.db2.gz NBVXTLAMUCNKQW-SUMWQHHRSA-N 1 3 380.330 2.874 20 0 GFADHO c1sc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cc1-c1nnn[n-]1 ZINC000826517918 608430127 /nfs/dbraw/zinc/43/01/27/608430127.db2.gz UFMNAAQBEZVJLZ-UHFFFAOYSA-N 1 3 398.536 2.735 20 0 GFADHO c1sc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cc1-c1nn[n-]n1 ZINC000826517918 608430129 /nfs/dbraw/zinc/43/01/29/608430129.db2.gz UFMNAAQBEZVJLZ-UHFFFAOYSA-N 1 3 398.536 2.735 20 0 GFADHO C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824577524 609150965 /nfs/dbraw/zinc/15/09/65/609150965.db2.gz MCKGFJVGUDGRLJ-CQSZACIVSA-N 1 3 381.459 2.968 20 0 GFADHO C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824577524 609150967 /nfs/dbraw/zinc/15/09/67/609150967.db2.gz MCKGFJVGUDGRLJ-CQSZACIVSA-N 1 3 381.459 2.968 20 0 GFADHO C[C@@]1(Br)C[C@H]1C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000893354366 663408118 /nfs/dbraw/zinc/40/81/18/663408118.db2.gz JUOUHVWDKYZLFP-PKOBYXMFSA-N 1 3 394.357 2.775 20 0 GFADHO CC[NH+](CC)CCC[C@H](C)NCc1cn(C)nc1I ZINC000894384721 663459307 /nfs/dbraw/zinc/45/93/07/663459307.db2.gz PMKOPFLKPYSIMS-LBPRGKRZSA-N 1 3 378.302 2.625 20 0 GFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cncc(Br)c3)C2)[C@@H]1C(C)C ZINC000922395159 664599418 /nfs/dbraw/zinc/59/94/18/664599418.db2.gz UJHGHYZWIVMYOW-ZJPYXAASSA-N 1 3 382.346 2.804 20 0 GFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cncc(Br)c3)C2)[C@@H]1C(C)C ZINC000922395159 664599423 /nfs/dbraw/zinc/59/94/23/664599423.db2.gz UJHGHYZWIVMYOW-ZJPYXAASSA-N 1 3 382.346 2.804 20 0 GFADHO [NH3+][C@@H]1CC[C@@H]2CN(C[C@@H](O)COc3ccc(Cl)cc3Br)C[C@H]12 ZINC000923331691 664628458 /nfs/dbraw/zinc/62/84/58/664628458.db2.gz HUZWSMITTBBVTI-IKVITTDRSA-N 1 3 389.721 2.511 20 0 GFADHO [NH3+]C[C@@H](NC[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000923371656 664629112 /nfs/dbraw/zinc/62/91/12/664629112.db2.gz CXBKMMZEDOJSSY-NVXWUHKLSA-N 1 3 389.309 2.825 20 0 GFADHO O=C1O[C@H](CN[C@@H]2CCc3c2cc(Br)cc3F)CC12CC[NH2+]CC2 ZINC000925851529 664675872 /nfs/dbraw/zinc/67/58/72/664675872.db2.gz FYNNAZGGBCFNTO-BLLLJJGKSA-N 1 3 397.288 2.850 20 0 GFADHO Cc1cc2[nH]ccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164980456 722124240 /nfs/dbraw/zinc/12/42/40/722124240.db2.gz RFBIYJFBUUSJHX-NQIIRXRSSA-N 1 3 377.492 2.994 20 0 GFADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000359870553 209196860 /nfs/dbraw/zinc/19/68/60/209196860.db2.gz IYMNXGOFLDVXJM-BFYDXBDKSA-N 1 3 387.446 2.958 20 0 GFADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000359870553 209196862 /nfs/dbraw/zinc/19/68/62/209196862.db2.gz IYMNXGOFLDVXJM-BFYDXBDKSA-N 1 3 387.446 2.958 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(F)c(Br)c3)CC2)CC1 ZINC000172929630 551690371 /nfs/dbraw/zinc/69/03/71/551690371.db2.gz TZKGDTODZVICDN-UHFFFAOYSA-N 1 3 398.320 2.877 20 0 GFADHO C(CCN1CCS[C@@H]2COCC[C@H]21)CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000246777785 553112456 /nfs/dbraw/zinc/11/24/56/553112456.db2.gz IIFJSZLWZLEWHD-FCGDIQPGSA-N 1 3 386.627 2.569 20 0 GFADHO C(CCN1CCS[C@@H]2COCC[C@H]21)CC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000246777785 553112460 /nfs/dbraw/zinc/11/24/60/553112460.db2.gz IIFJSZLWZLEWHD-FCGDIQPGSA-N 1 3 386.627 2.569 20 0 GFADHO C(CCN1CCS[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246777785 553112461 /nfs/dbraw/zinc/11/24/61/553112461.db2.gz IIFJSZLWZLEWHD-FCGDIQPGSA-N 1 3 386.627 2.569 20 0 GFADHO C(CCN1CCS[C@@H]2COCC[C@@H]21)CC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246777785 553112464 /nfs/dbraw/zinc/11/24/64/553112464.db2.gz IIFJSZLWZLEWHD-FCGDIQPGSA-N 1 3 386.627 2.569 20 0 GFADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418569275 563220055 /nfs/dbraw/zinc/22/00/55/563220055.db2.gz HVAPTMZNZOKBLE-WMLDXEAASA-N 1 3 397.361 2.520 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccnc(Br)c3)CC2)CC1 ZINC000297592323 563330227 /nfs/dbraw/zinc/33/02/27/563330227.db2.gz ZFLUSRZTRUJGHX-UHFFFAOYSA-N 1 3 396.333 2.524 20 0 GFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422778146 563348829 /nfs/dbraw/zinc/34/88/29/563348829.db2.gz AFZPWPPVPOMAMT-NVXWUHKLSA-N 1 3 385.599 2.572 20 0 GFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422778146 563348831 /nfs/dbraw/zinc/34/88/31/563348831.db2.gz AFZPWPPVPOMAMT-NVXWUHKLSA-N 1 3 385.599 2.572 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900592 563349959 /nfs/dbraw/zinc/34/99/59/563349959.db2.gz QTZQCVTXBMYXKA-DACLVMHWSA-N 1 3 382.346 2.617 20 0 GFADHO COC[C@H](CCC[NH3+])N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423094715 563354865 /nfs/dbraw/zinc/35/48/65/563354865.db2.gz KPDMETVFBQHAGK-FZMZJTMJSA-N 1 3 399.251 2.845 20 0 GFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(I)c(Cl)c1 ZINC000423116495 563356465 /nfs/dbraw/zinc/35/64/65/563356465.db2.gz QAOFJKVZGOWQRP-CHIMOYNISA-N 1 3 394.684 2.787 20 0 GFADHO FC(F)(F)[C@@H](CN[C@H]1CCc2cc(Br)ccc21)N1CC[NH2+]CC1 ZINC000423384548 563360481 /nfs/dbraw/zinc/36/04/81/563360481.db2.gz KATRZPRCDLJNDF-LSDHHAIUSA-N 1 3 392.263 2.862 20 0 GFADHO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414759391 563752991 /nfs/dbraw/zinc/75/29/91/563752991.db2.gz ODXTYNGIDJTODI-ZBFHGGJFSA-N 1 3 394.357 2.783 20 0 GFADHO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414759391 563752992 /nfs/dbraw/zinc/75/29/92/563752992.db2.gz ODXTYNGIDJTODI-ZBFHGGJFSA-N 1 3 394.357 2.783 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000414827268 563753672 /nfs/dbraw/zinc/75/36/72/563753672.db2.gz KGEAXWLSPRMRGS-HNNXBMFYSA-N 1 3 394.357 2.951 20 0 GFADHO Brc1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(N2CCOCC2)c1 ZINC000415002039 563756895 /nfs/dbraw/zinc/75/68/95/563756895.db2.gz DEOBTTFMPROATG-ZWKOTPCHSA-N 1 3 394.357 2.763 20 0 GFADHO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CCC(O)(C[NH3+])CC1 ZINC000415145978 563761315 /nfs/dbraw/zinc/76/13/15/563761315.db2.gz XUWPBNVXTSCNCB-UHFFFAOYSA-N 1 3 393.329 2.537 20 0 GFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136666 563907532 /nfs/dbraw/zinc/90/75/32/563907532.db2.gz VTOLOEMQKOQPJO-WBMJQRKESA-N 1 3 398.320 2.753 20 0 GFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CCc3c2cccc3Br)CC1 ZINC000538101500 564182532 /nfs/dbraw/zinc/18/25/32/564182532.db2.gz SQPHXEOHGGRSEF-SFHVURJKSA-N 1 3 394.357 2.969 20 0 GFADHO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](CN)OC ZINC000565948873 564303278 /nfs/dbraw/zinc/30/32/78/564303278.db2.gz LCPJNBCYXBCKPJ-MRXNPFEDSA-N 1 3 376.328 2.638 20 0 GFADHO C[C@H](Cc1ccc(Br)c(F)c1)NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567674717 564382090 /nfs/dbraw/zinc/38/20/90/564382090.db2.gz YYTIOIFAAQWRRW-LLVKDONJSA-N 1 3 396.308 2.894 20 0 GFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Br)s1 ZINC000548039656 564529278 /nfs/dbraw/zinc/52/92/78/564529278.db2.gz IXIJQFIRTZMRJF-LBPRGKRZSA-N 1 3 391.379 2.706 20 0 GFADHO C[NH+](C)C1CCN(CCNCc2ccc(Br)c(F)c2F)CC1 ZINC000527670529 564753983 /nfs/dbraw/zinc/75/39/83/564753983.db2.gz PJWQFWQIGWDVRL-UHFFFAOYSA-N 1 3 376.289 2.843 20 0 GFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1sccc1Br ZINC000531967887 564925851 /nfs/dbraw/zinc/92/58/51/564925851.db2.gz GSQTUMDDTCKKCH-AWEZNQCLSA-N 1 3 390.391 2.551 20 0 GFADHO CC1(CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC[NH2+]CC1 ZINC000562962719 565049398 /nfs/dbraw/zinc/04/93/98/565049398.db2.gz PWRVZLSEKARAJZ-AWEZNQCLSA-N 1 3 387.343 2.647 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000617504189 565242593 /nfs/dbraw/zinc/24/25/93/565242593.db2.gz JXYNCBUCIKRLMQ-HNNXBMFYSA-N 1 3 396.373 2.869 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000617504189 565242598 /nfs/dbraw/zinc/24/25/98/565242598.db2.gz JXYNCBUCIKRLMQ-HNNXBMFYSA-N 1 3 396.373 2.869 20 0 GFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(Br)c1 ZINC000849098179 661691897 /nfs/dbraw/zinc/69/18/97/661691897.db2.gz FZQQOJDHJPVXSK-HIFRSBDPSA-N 1 3 383.334 2.815 20 0 GFADHO C[NH+](C)[C@H](CNC(=O)[C@@H](N)c1cccc(Br)c1)c1ccsc1 ZINC000870863667 662703763 /nfs/dbraw/zinc/70/37/63/662703763.db2.gz UJZNUSSXPCUFOQ-CABCVRRESA-N 1 3 382.327 2.930 20 0 GFADHO COc1ccc([C@@H](C)NC[C@H](C[NH3+])Cc2cnn(C)c2C)cc1Br ZINC000903919524 663811659 /nfs/dbraw/zinc/81/16/59/663811659.db2.gz DJZRCBVQTZXUSY-OCCSQVGLSA-N 1 3 395.345 2.968 20 0 GFADHO O=C1O[C@@H](CN[C@H]2CCc3c2ccc(F)c3Br)CC12CC[NH2+]CC2 ZINC000925848115 664675730 /nfs/dbraw/zinc/67/57/30/664675730.db2.gz AFGMAKSJCFXDAJ-ABAIWWIYSA-N 1 3 397.288 2.850 20 0 GFADHO Fc1cccnc1N(c1ccc(CN2CCCC2)cn1)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164691088 719760954 /nfs/dbraw/zinc/76/09/54/719760954.db2.gz LDXZOHVUUCGYGF-GCJKJVERSA-N 1 3 397.498 2.871 20 0 GFADHO c1cncc(CN2CC[C@H]3[C@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001164726343 720419802 /nfs/dbraw/zinc/41/98/02/720419802.db2.gz BNKMXEGDBXZXRE-RTWAWAEBSA-N 1 3 393.535 2.804 20 0 GFADHO CC(C)[N@H+]1[C@@H]2CCN(c3cc(CN(C)C)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838754 720625936 /nfs/dbraw/zinc/62/59/36/720625936.db2.gz LMKBODYWJGPVFJ-QHAWAJNXSA-N 1 3 382.556 2.718 20 0 GFADHO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(CN(C)C)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838754 720625943 /nfs/dbraw/zinc/62/59/43/720625943.db2.gz LMKBODYWJGPVFJ-QHAWAJNXSA-N 1 3 382.556 2.718 20 0 GFADHO c1cncc(CN2CCO[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164985506 722131108 /nfs/dbraw/zinc/13/11/08/722131108.db2.gz ZRJXBKIRFQOACY-IRLDBZIGSA-N 1 3 393.535 2.804 20 0 GFADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000359870593 209198543 /nfs/dbraw/zinc/19/85/43/209198543.db2.gz IYMNXGOFLDVXJM-INMHGKMJSA-N 1 3 387.446 2.958 20 0 GFADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000359870593 209198538 /nfs/dbraw/zinc/19/85/38/209198538.db2.gz IYMNXGOFLDVXJM-INMHGKMJSA-N 1 3 387.446 2.958 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)ccc1Br ZINC000132891134 551380239 /nfs/dbraw/zinc/38/02/39/551380239.db2.gz BHKNSCCASIEESL-UHFFFAOYSA-N 1 3 375.286 2.545 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1Br ZINC000155463393 551500191 /nfs/dbraw/zinc/50/01/91/551500191.db2.gz KCCNVCZYDDZPAG-UHFFFAOYSA-N 1 3 376.726 2.668 20 0 GFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(Br)c(Br)c1 ZINC000219901496 553054997 /nfs/dbraw/zinc/05/49/97/553054997.db2.gz LIOSVTJSGCKWDV-UHFFFAOYSA-N 1 3 391.151 2.549 20 0 GFADHO COCCN1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000237121804 553075438 /nfs/dbraw/zinc/07/54/38/553075438.db2.gz MRIVHOIGQLOCNN-UHFFFAOYSA-N 1 3 381.314 2.925 20 0 GFADHO COCC[NH+]1CCC(NCC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000237121804 553075441 /nfs/dbraw/zinc/07/54/41/553075441.db2.gz MRIVHOIGQLOCNN-UHFFFAOYSA-N 1 3 381.314 2.925 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCCC[NH2+]C1CC1 ZINC000418294259 563215637 /nfs/dbraw/zinc/21/56/37/563215637.db2.gz CGBTVBSABIPBNL-UHFFFAOYSA-N 1 3 397.361 2.664 20 0 GFADHO Brc1ccccc1N1CC[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422700829 563348637 /nfs/dbraw/zinc/34/86/37/563348637.db2.gz ASXYXWXRFIUYCN-CWLKWCNXSA-N 1 3 394.357 2.775 20 0 GFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422842660 563350049 /nfs/dbraw/zinc/35/00/49/563350049.db2.gz YUJSXJWJSZETIA-MUIFIZLQSA-N 1 3 383.330 2.963 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900594 563350100 /nfs/dbraw/zinc/35/01/00/563350100.db2.gz QTZQCVTXBMYXKA-DFEHZGFQSA-N 1 3 382.346 2.617 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422945701 563351463 /nfs/dbraw/zinc/35/14/63/563351463.db2.gz NNFNHSVJEMFGDD-DACLVMHWSA-N 1 3 382.346 2.617 20 0 GFADHO COC[C@H](CCC[NH3+])N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000423057454 563353669 /nfs/dbraw/zinc/35/36/69/563353669.db2.gz ZTQIFNXNRVPJCR-WMLDXEAASA-N 1 3 398.345 2.596 20 0 GFADHO COc1ccc(CN[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000375783374 563418663 /nfs/dbraw/zinc/41/86/63/563418663.db2.gz CYMQBFRLMCUEEI-HNNXBMFYSA-N 1 3 382.346 2.716 20 0 GFADHO COc1ccc(CN[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000375783374 563418666 /nfs/dbraw/zinc/41/86/66/563418666.db2.gz CYMQBFRLMCUEEI-HNNXBMFYSA-N 1 3 382.346 2.716 20 0 GFADHO COc1ccc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000375783374 563418668 /nfs/dbraw/zinc/41/86/68/563418668.db2.gz CYMQBFRLMCUEEI-HNNXBMFYSA-N 1 3 382.346 2.716 20 0 GFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Br)cs1 ZINC000333299817 563627514 /nfs/dbraw/zinc/62/75/14/563627514.db2.gz PVEDFHFUGXONAA-WNMQOVRZSA-N 1 3 386.359 2.808 20 0 GFADHO C[C@@H]1C[C@H](CN2CCN(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000414748284 563751516 /nfs/dbraw/zinc/75/15/16/563751516.db2.gz NRTGTUGEWCNLBM-HUUCEWRRSA-N 1 3 380.330 2.595 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000414751743 563751532 /nfs/dbraw/zinc/75/15/32/563751532.db2.gz JEFMHRNVAYMCHV-KRWDZBQOSA-N 1 3 394.357 2.858 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000414751743 563751536 /nfs/dbraw/zinc/75/15/36/563751536.db2.gz JEFMHRNVAYMCHV-KRWDZBQOSA-N 1 3 394.357 2.858 20 0 GFADHO COC[C@@]1(CNC2CCN(Cc3ccccc3Br)CC2)CCC[NH2+]1 ZINC000414944398 563755300 /nfs/dbraw/zinc/75/53/00/563755300.db2.gz NZSIPGCYJFGBIM-IBGZPJMESA-N 1 3 396.373 2.772 20 0 GFADHO COC[C@@]1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCN1 ZINC000414944398 563755302 /nfs/dbraw/zinc/75/53/02/563755302.db2.gz NZSIPGCYJFGBIM-IBGZPJMESA-N 1 3 396.373 2.772 20 0 GFADHO [NH3+]C1(CNCc2cncc(Br)c2)CCN(Cc2ccccc2)CC1 ZINC000415137843 563760460 /nfs/dbraw/zinc/76/04/60/563760460.db2.gz UGUXWZNOQZPCDK-UHFFFAOYSA-N 1 3 389.341 2.927 20 0 GFADHO CC[N@@H+]1CC[C@H](NC[C@H](CO)Cc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000449680711 564195426 /nfs/dbraw/zinc/19/54/26/564195426.db2.gz KMZYWNODBHKQHV-RKVPGOIHSA-N 1 3 399.373 2.929 20 0 GFADHO CC[N@H+]1CC[C@H](NC[C@H](CO)Cc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000449680711 564195432 /nfs/dbraw/zinc/19/54/32/564195432.db2.gz KMZYWNODBHKQHV-RKVPGOIHSA-N 1 3 399.373 2.929 20 0 GFADHO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](CN)OC ZINC000565948870 564303483 /nfs/dbraw/zinc/30/34/83/564303483.db2.gz LCPJNBCYXBCKPJ-INIZCTEOSA-N 1 3 376.328 2.638 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000566780895 564342895 /nfs/dbraw/zinc/34/28/95/564342895.db2.gz IETNTYJFFYAURT-UHFFFAOYSA-N 1 3 398.349 2.679 20 0 GFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000517733084 564541514 /nfs/dbraw/zinc/54/15/14/564541514.db2.gz WVBYCYJNEMHOJY-NVXWUHKLSA-N 1 3 385.346 2.899 20 0 GFADHO C[C@H]1C[N@H+](CCOc2cccc(Br)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490983273 564784119 /nfs/dbraw/zinc/78/41/19/564784119.db2.gz BTXZGERAXIQFHY-QFBILLFUSA-N 1 3 396.373 2.786 20 0 GFADHO C[C@H]1C[N@@H+](CCOc2cccc(Br)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490983273 564784123 /nfs/dbraw/zinc/78/41/23/564784123.db2.gz BTXZGERAXIQFHY-QFBILLFUSA-N 1 3 396.373 2.786 20 0 GFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000582296311 564839521 /nfs/dbraw/zinc/83/95/21/564839521.db2.gz DNLFXTHCFIPMFP-XHSDSOJGSA-N 1 3 389.309 2.790 20 0 GFADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1cc(F)cc(Br)c1 ZINC000582296601 564839552 /nfs/dbraw/zinc/83/95/52/564839552.db2.gz OVHIVDDCSAPCQX-INIZCTEOSA-N 1 3 387.293 2.544 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636873845 565128944 /nfs/dbraw/zinc/12/89/44/565128944.db2.gz PQVZPNBMXKSFKJ-QGZVFWFLSA-N 1 3 397.361 2.664 20 0 GFADHO Brc1cnc2c(CNCC3CC[NH+](CC4CC4)CC3)cnn2c1 ZINC000639335775 565240640 /nfs/dbraw/zinc/24/06/40/565240640.db2.gz XHALPYBZROQSPG-UHFFFAOYSA-N 1 3 378.318 2.703 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000617504789 565242821 /nfs/dbraw/zinc/24/28/21/565242821.db2.gz KLZZQHHCOKLCCH-ZDUSSCGKSA-N 1 3 388.325 2.519 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000617504789 565242825 /nfs/dbraw/zinc/24/28/25/565242825.db2.gz KLZZQHHCOKLCCH-ZDUSSCGKSA-N 1 3 388.325 2.519 20 0 GFADHO O=S1(=O)CC[C@@H](NCC[C@@H]2CCC[NH2+]C2)c2cc(Br)ccc21 ZINC000643510615 565435383 /nfs/dbraw/zinc/43/53/83/565435383.db2.gz ZDDIILWJYQHBJD-SWLSCSKDSA-N 1 3 387.343 2.647 20 0 GFADHO Cc1nc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1Br ZINC000666722131 565553642 /nfs/dbraw/zinc/55/36/42/565553642.db2.gz LSGQYVLLCXCWTP-LBPRGKRZSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1nc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1Br ZINC000666722131 565553646 /nfs/dbraw/zinc/55/36/46/565553646.db2.gz LSGQYVLLCXCWTP-LBPRGKRZSA-N 1 3 386.338 2.546 20 0 GFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]21 ZINC000629519373 565857757 /nfs/dbraw/zinc/85/77/57/565857757.db2.gz PWSPYQSLGHODSO-DUFGSWQCSA-N 1 3 378.314 2.762 20 0 GFADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000111240967 655167080 /nfs/dbraw/zinc/16/70/80/655167080.db2.gz WPFVHZHWQFIWST-QGZVFWFLSA-N 1 3 385.346 2.995 20 0 GFADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000111240967 655167081 /nfs/dbraw/zinc/16/70/81/655167081.db2.gz WPFVHZHWQFIWST-QGZVFWFLSA-N 1 3 385.346 2.995 20 0 GFADHO CN(C)C[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000113516153 655211760 /nfs/dbraw/zinc/21/17/60/655211760.db2.gz YMEUVBWKKBCBRG-AWEZNQCLSA-N 1 3 388.293 2.944 20 0 GFADHO CN(C)C[C@@H]1CC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000113516153 655211762 /nfs/dbraw/zinc/21/17/62/655211762.db2.gz YMEUVBWKKBCBRG-AWEZNQCLSA-N 1 3 388.293 2.944 20 0 GFADHO [NH3+]CC[C@@H]1CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261943978 655443228 /nfs/dbraw/zinc/44/32/28/655443228.db2.gz NDLAXZDPYJFIIH-HNNXBMFYSA-N 1 3 382.346 2.847 20 0 GFADHO O=C1[C@H](N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000579834969 655504515 /nfs/dbraw/zinc/50/45/15/655504515.db2.gz MYSXTGFXVUWQBB-RVKKMQEKSA-N 1 3 392.341 2.876 20 0 GFADHO C[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ncc1F ZINC000762743362 656057512 /nfs/dbraw/zinc/05/75/12/656057512.db2.gz BANKDGAUIMQWNH-QWHCGFSZSA-N 1 3 385.325 2.802 20 0 GFADHO C[N@@H+]1CC[C@H](CCOC(=O)C2CCN(c3ccccc3Br)C2=O)C1 ZINC000847825835 661612254 /nfs/dbraw/zinc/61/22/54/661612254.db2.gz RQOHZQGNWUUYCW-ZIAGYGMSSA-N 1 3 395.297 2.687 20 0 GFADHO C[N@H+]1CC[C@H](CCOC(=O)C2CCN(c3ccccc3Br)C2=O)C1 ZINC000847825835 661612261 /nfs/dbraw/zinc/61/22/61/661612261.db2.gz RQOHZQGNWUUYCW-ZIAGYGMSSA-N 1 3 395.297 2.687 20 0 GFADHO CN1CCC(CNCc2cccnc2Br)([NH+]2CCCCC2)CC1 ZINC000865476815 662423764 /nfs/dbraw/zinc/42/37/64/662423764.db2.gz KACBFSQXPCNOIZ-UHFFFAOYSA-N 1 3 381.362 2.884 20 0 GFADHO C[C@H](CNCc1c(Br)c2ccccc2n1C)C[NH+]1CCN(C)CC1 ZINC000873041544 662797302 /nfs/dbraw/zinc/79/73/02/662797302.db2.gz AZFWVVWXVMLRKL-OAHLLOKOSA-N 1 3 393.373 2.914 20 0 GFADHO Cc1ccc(F)c(Br)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000912303148 664281449 /nfs/dbraw/zinc/28/14/49/664281449.db2.gz ILYSAVMCNPBVMF-ZDUSSCGKSA-N 1 3 388.325 2.898 20 0 GFADHO Cc1ccc(F)c(Br)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000912303148 664281452 /nfs/dbraw/zinc/28/14/52/664281452.db2.gz ILYSAVMCNPBVMF-ZDUSSCGKSA-N 1 3 388.325 2.898 20 0 GFADHO Cc1c(Br)cncc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000934273455 664897027 /nfs/dbraw/zinc/89/70/27/664897027.db2.gz NIFSONVMHYKHKQ-LBPRGKRZSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1c(Br)cncc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000934273455 664897030 /nfs/dbraw/zinc/89/70/30/664897030.db2.gz NIFSONVMHYKHKQ-LBPRGKRZSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1nc(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)cc(N2CCCC2)[nH+]1 ZINC001164650013 719308169 /nfs/dbraw/zinc/30/81/69/719308169.db2.gz YSWMOMIOSAHKDP-UHFFFAOYSA-N 1 3 383.544 2.787 20 0 GFADHO Cc1nc(N2CCCC2)cc(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)[nH+]1 ZINC001164650013 719308172 /nfs/dbraw/zinc/30/81/72/719308172.db2.gz YSWMOMIOSAHKDP-UHFFFAOYSA-N 1 3 383.544 2.787 20 0 GFADHO CN(Cc1ccc(N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)nc1)C1CC1 ZINC001164692513 719760744 /nfs/dbraw/zinc/76/07/44/719760744.db2.gz UPUANANYQZCMOS-PGRDOPGGSA-N 1 3 397.498 2.869 20 0 GFADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(CN(C)C)ccn3)CC[C@@H]21 ZINC001164838751 720624260 /nfs/dbraw/zinc/62/42/60/720624260.db2.gz LMKBODYWJGPVFJ-ACRUOGEOSA-N 1 3 382.556 2.718 20 0 GFADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(CN(C)C)ccn3)CC[C@@H]21 ZINC001164838751 720624276 /nfs/dbraw/zinc/62/42/76/720624276.db2.gz LMKBODYWJGPVFJ-ACRUOGEOSA-N 1 3 382.556 2.718 20 0 GFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)ccc1CN1CCCC1 ZINC001164924304 721867626 /nfs/dbraw/zinc/86/76/26/721867626.db2.gz KSJZEPGZKUPEBQ-QZTJIDSGSA-N 1 3 377.964 2.545 20 0 GFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)ccc1CN1CCCC1 ZINC001164924304 721867627 /nfs/dbraw/zinc/86/76/27/721867627.db2.gz KSJZEPGZKUPEBQ-QZTJIDSGSA-N 1 3 377.964 2.545 20 0 GFADHO C[C@H](Cn1cc(Br)cn1)NCc1cccc(OCC[NH+](C)C)c1 ZINC000162565524 551609667 /nfs/dbraw/zinc/60/96/67/551609667.db2.gz TXCXAJNDHHUJKO-CQSZACIVSA-N 1 3 381.318 2.764 20 0 GFADHO CCN1CCC2CCC(C1)[N@@H+]2CC(O)COc1ccc(Br)cc1 ZINC000246551380 553110115 /nfs/dbraw/zinc/11/01/15/553110115.db2.gz UDNLWCFJLLKDLQ-IXDOHACOSA-N 1 3 383.330 2.747 20 0 GFADHO CCN1CCC2CCC(C1)[N@H+]2CC(O)COc1ccc(Br)cc1 ZINC000246551380 553110118 /nfs/dbraw/zinc/11/01/18/553110118.db2.gz UDNLWCFJLLKDLQ-IXDOHACOSA-N 1 3 383.330 2.747 20 0 GFADHO CC[N@@H+]1CCC2CCC(C1)N2CC(O)COc1ccc(Br)cc1 ZINC000246551380 553110120 /nfs/dbraw/zinc/11/01/20/553110120.db2.gz UDNLWCFJLLKDLQ-IXDOHACOSA-N 1 3 383.330 2.747 20 0 GFADHO CC[N@H+]1CCC2CCC(C1)N2CC(O)COc1ccc(Br)cc1 ZINC000246551380 553110122 /nfs/dbraw/zinc/11/01/22/553110122.db2.gz UDNLWCFJLLKDLQ-IXDOHACOSA-N 1 3 383.330 2.747 20 0 GFADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCSc2cc(Cl)ccc2Cl)C1 ZINC000261653344 553154982 /nfs/dbraw/zinc/15/49/82/553154982.db2.gz FQEODZXWPZZHID-GFCCVEGCSA-N 1 3 376.353 2.872 20 0 GFADHO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000422910507 563350903 /nfs/dbraw/zinc/35/09/03/563350903.db2.gz QVKJDEQIHJMRLQ-CXAGYDPISA-N 1 3 398.345 2.685 20 0 GFADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)cs1 ZINC000423372820 563360258 /nfs/dbraw/zinc/36/02/58/563360258.db2.gz BJTVNRGDVFWXMB-CABZTGNLSA-N 1 3 386.281 2.997 20 0 GFADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)s1 ZINC000423391054 563360322 /nfs/dbraw/zinc/36/03/22/563360322.db2.gz PCSLNQVPVDXQCU-MWLCHTKSSA-N 1 3 386.281 2.997 20 0 GFADHO O=S1(=O)CC[C@@H](NCCC[C@@H]2CCC[NH2+]2)c2cc(Br)ccc21 ZINC000423484005 563361041 /nfs/dbraw/zinc/36/10/41/563361041.db2.gz QPTYBJXDBJRNJN-DZGCQCFKSA-N 1 3 387.343 2.789 20 0 GFADHO [NH3+][C@@H]1CCC[C@H](CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000423481931 563361514 /nfs/dbraw/zinc/36/15/14/563361514.db2.gz XDEWBAKHQBGRCW-NJZAAPMLSA-N 1 3 387.343 2.775 20 0 GFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425101291 563405119 /nfs/dbraw/zinc/40/51/19/563405119.db2.gz ZLLCGDOKYBAPFP-HIFRSBDPSA-N 1 3 397.361 2.583 20 0 GFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425101291 563405120 /nfs/dbraw/zinc/40/51/20/563405120.db2.gz ZLLCGDOKYBAPFP-HIFRSBDPSA-N 1 3 397.361 2.583 20 0 GFADHO C[NH+](C)CC1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439461798 563726585 /nfs/dbraw/zinc/72/65/85/563726585.db2.gz MFZFSHDINHKABH-INIZCTEOSA-N 1 3 389.309 2.602 20 0 GFADHO Cc1cc(Br)ccc1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965473 563755636 /nfs/dbraw/zinc/75/56/36/563755636.db2.gz CYRMMOXTXCMNGJ-CQSZACIVSA-N 1 3 380.252 2.683 20 0 GFADHO CCN(CCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)S(C)(=O)=O ZINC000449088799 563906353 /nfs/dbraw/zinc/90/63/53/563906353.db2.gz ZVILHQZEHPIDDR-UHFFFAOYSA-N 1 3 375.623 2.927 20 0 GFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683853 564195843 /nfs/dbraw/zinc/19/58/43/564195843.db2.gz OCSNFWJKCYRKCQ-HRCADAONSA-N 1 3 385.321 2.956 20 0 GFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683853 564195846 /nfs/dbraw/zinc/19/58/46/564195846.db2.gz OCSNFWJKCYRKCQ-HRCADAONSA-N 1 3 385.321 2.956 20 0 GFADHO O=C(NCC[NH2+]C1CCN(CC2CC2)CC1)c1cccc(Br)c1 ZINC000540363505 564246999 /nfs/dbraw/zinc/24/69/99/564246999.db2.gz YQPLXXYWDWIGIS-UHFFFAOYSA-N 1 3 380.330 2.643 20 0 GFADHO C[C@@H]1C[N@H+](CCCNCCC(=O)Nc2ccc(Br)cc2)CCCO1 ZINC000569476499 564465416 /nfs/dbraw/zinc/46/54/16/564465416.db2.gz VBIUKYNPENCNPV-OAHLLOKOSA-N 1 3 398.345 2.868 20 0 GFADHO C[C@@H]1C[N@@H+](CCCNCCC(=O)Nc2ccc(Br)cc2)CCCO1 ZINC000569476499 564465419 /nfs/dbraw/zinc/46/54/19/564465419.db2.gz VBIUKYNPENCNPV-OAHLLOKOSA-N 1 3 398.345 2.868 20 0 GFADHO [NH3+]CCCOC1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000503910152 565031329 /nfs/dbraw/zinc/03/13/29/565031329.db2.gz MJCPNOMUYKMMBQ-UHFFFAOYSA-N 1 3 375.282 2.797 20 0 GFADHO CC[NH+](CC)CCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000619274102 565334006 /nfs/dbraw/zinc/33/40/06/565334006.db2.gz BHSCVAPSFIMBKJ-UHFFFAOYSA-N 1 3 399.377 2.864 20 0 GFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000643540897 565435714 /nfs/dbraw/zinc/43/57/14/565435714.db2.gz PDWAJXMVEAVPCQ-XTXFNFMZSA-N 1 3 399.354 2.773 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC000666701985 565553499 /nfs/dbraw/zinc/55/34/99/565553499.db2.gz VYOSKBRTANPPFO-PBHICJAKSA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC000666701985 565553504 /nfs/dbraw/zinc/55/35/04/565553504.db2.gz VYOSKBRTANPPFO-PBHICJAKSA-N 1 3 380.330 2.783 20 0 GFADHO Brc1ccc(-c2n[n-]c(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000647791450 565676801 /nfs/dbraw/zinc/67/68/01/565676801.db2.gz DGSUKXZNMSSYFB-UMVBOHGHSA-N 1 3 376.302 2.712 20 0 GFADHO Brc1ccc(-c2nnc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)[n-]2)cc1 ZINC000647791450 565676804 /nfs/dbraw/zinc/67/68/04/565676804.db2.gz DGSUKXZNMSSYFB-UMVBOHGHSA-N 1 3 376.302 2.712 20 0 GFADHO C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000671766686 565785506 /nfs/dbraw/zinc/78/55/06/565785506.db2.gz TWUVEDOBXBNAJY-GFCCVEGCSA-N 1 3 394.368 2.592 20 0 GFADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820705031 606915217 /nfs/dbraw/zinc/91/52/17/606915217.db2.gz RQHKVEQICCGNDB-DYESRHJHSA-N 1 3 398.555 2.877 20 0 GFADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820705031 606915218 /nfs/dbraw/zinc/91/52/18/606915218.db2.gz RQHKVEQICCGNDB-DYESRHJHSA-N 1 3 398.555 2.877 20 0 GFADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820705031 606915220 /nfs/dbraw/zinc/91/52/20/606915220.db2.gz RQHKVEQICCGNDB-DYESRHJHSA-N 1 3 398.555 2.877 20 0 GFADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820705031 606915222 /nfs/dbraw/zinc/91/52/22/606915222.db2.gz RQHKVEQICCGNDB-DYESRHJHSA-N 1 3 398.555 2.877 20 0 GFADHO C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824984985 609138626 /nfs/dbraw/zinc/13/86/26/609138626.db2.gz QAHSWCORUOUSAE-KFWWJZLASA-N 1 3 376.480 2.546 20 0 GFADHO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174715554 655206185 /nfs/dbraw/zinc/20/61/85/655206185.db2.gz PLAJUVWTEPEUGB-CQSZACIVSA-N 1 3 387.355 2.890 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418338632 655405644 /nfs/dbraw/zinc/40/56/44/655405644.db2.gz LLHUCPKWRVVIOJ-OAHLLOKOSA-N 1 3 397.361 2.522 20 0 GFADHO C[C@@H]1C[N@H+](CCCNCCC(=O)Nc2cccc(Br)c2)CCCO1 ZINC000574271555 655427741 /nfs/dbraw/zinc/42/77/41/655427741.db2.gz ZDBRKXGNEUZMRN-OAHLLOKOSA-N 1 3 398.345 2.868 20 0 GFADHO C[C@@H]1C[N@@H+](CCCNCCC(=O)Nc2cccc(Br)c2)CCCO1 ZINC000574271555 655427743 /nfs/dbraw/zinc/42/77/43/655427743.db2.gz ZDBRKXGNEUZMRN-OAHLLOKOSA-N 1 3 398.345 2.868 20 0 GFADHO CN(C)CC[NH+]1CCC(NCc2cc(Br)cnc2Cl)CC1 ZINC000842666046 661348129 /nfs/dbraw/zinc/34/81/29/661348129.db2.gz COBMTMYNFAYPTC-UHFFFAOYSA-N 1 3 375.742 2.613 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)CC1 ZINC000902467058 663761689 /nfs/dbraw/zinc/76/16/89/663761689.db2.gz KUEYVSAUGUHHSD-CGTJXYLNSA-N 1 3 392.341 2.845 20 0 GFADHO COc1ccc([C@H](C)NC[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1Br ZINC000903919522 663811580 /nfs/dbraw/zinc/81/15/80/663811580.db2.gz DJZRCBVQTZXUSY-GXTWGEPZSA-N 1 3 395.345 2.968 20 0 GFADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000359870598 209197865 /nfs/dbraw/zinc/19/78/65/209197865.db2.gz IYMNXGOFLDVXJM-VYDXJSESSA-N 1 3 387.446 2.958 20 0 GFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000359870598 209197868 /nfs/dbraw/zinc/19/78/68/209197868.db2.gz IYMNXGOFLDVXJM-VYDXJSESSA-N 1 3 387.446 2.958 20 0 GFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000127987693 551345483 /nfs/dbraw/zinc/34/54/83/551345483.db2.gz AZWVRXNFGVOQME-YVEFUNNKSA-N 1 3 398.320 2.753 20 0 GFADHO CN1CCCN(CCC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000178778285 552175030 /nfs/dbraw/zinc/17/50/30/552175030.db2.gz BUBYLMDZIWHQBO-LJQANCHMSA-N 1 3 380.374 2.924 20 0 GFADHO O=C(N[C@@H]1CC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418360590 563216450 /nfs/dbraw/zinc/21/64/50/563216450.db2.gz GDVKIKOTZUEQIW-OAHLLOKOSA-N 1 3 385.339 2.963 20 0 GFADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000418597960 563220656 /nfs/dbraw/zinc/22/06/56/563220656.db2.gz IDTIYPGFTIVMSK-RHSMWYFYSA-N 1 3 397.361 2.663 20 0 GFADHO CC[NH2+][C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418590267 563220915 /nfs/dbraw/zinc/22/09/15/563220915.db2.gz KGWXLMRLPUMIJL-CQSZACIVSA-N 1 3 385.350 2.520 20 0 GFADHO Brc1ccccc1N1CC[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422700830 563348309 /nfs/dbraw/zinc/34/83/09/563348309.db2.gz ASXYXWXRFIUYCN-UOVPBQLFSA-N 1 3 394.357 2.775 20 0 GFADHO CCOC(=O)C1([C@H](C)NCc2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000422953208 563351637 /nfs/dbraw/zinc/35/16/37/563351637.db2.gz DZRBHFLYXNILCS-LBPRGKRZSA-N 1 3 387.293 2.999 20 0 GFADHO C[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434674 563506831 /nfs/dbraw/zinc/50/68/31/563506831.db2.gz SZYCSFSBYJXOFV-JCKWVBRZSA-N 1 3 379.551 2.739 20 0 GFADHO C[C@H](NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434674 563506836 /nfs/dbraw/zinc/50/68/36/563506836.db2.gz SZYCSFSBYJXOFV-JCKWVBRZSA-N 1 3 379.551 2.739 20 0 GFADHO C[C@@H](Cn1cc(Br)ccc1=O)NCc1cccc(C[NH+](C)C)c1 ZINC000414065344 563717227 /nfs/dbraw/zinc/71/72/27/563717227.db2.gz OGSGSNYBQUQQMJ-AWEZNQCLSA-N 1 3 378.314 2.851 20 0 GFADHO C[C@H](NCCC(F)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540187374 564240492 /nfs/dbraw/zinc/24/04/92/564240492.db2.gz XLVVQXMFXWPHFY-ZDUSSCGKSA-N 1 3 381.464 2.520 20 0 GFADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232108 564454309 /nfs/dbraw/zinc/45/43/09/564454309.db2.gz JYELKKIIMJZPIL-GOEBONIOSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232108 564454312 /nfs/dbraw/zinc/45/43/12/564454312.db2.gz JYELKKIIMJZPIL-GOEBONIOSA-N 1 3 391.339 2.824 20 0 GFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000481061580 564502635 /nfs/dbraw/zinc/50/26/35/564502635.db2.gz PFUQWQHGSDOEHR-WMZOPIPTSA-N 1 3 384.615 2.868 20 0 GFADHO C[NH+](C)[C@@]1(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CCSC1 ZINC000481232504 564506719 /nfs/dbraw/zinc/50/67/19/564506719.db2.gz NTPKZQJBNBTTOS-CRAIPNDOSA-N 1 3 382.599 2.622 20 0 GFADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252868 564695212 /nfs/dbraw/zinc/69/52/12/564695212.db2.gz PUXPTCOIQJBNLU-LSDHHAIUSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252868 564695213 /nfs/dbraw/zinc/69/52/13/564695213.db2.gz PUXPTCOIQJBNLU-LSDHHAIUSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@H]1C[N@H+](CCOc2cccc(Br)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490983272 564784451 /nfs/dbraw/zinc/78/44/51/564784451.db2.gz BTXZGERAXIQFHY-LPHOPBHVSA-N 1 3 396.373 2.786 20 0 GFADHO C[C@H]1C[N@@H+](CCOc2cccc(Br)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490983272 564784452 /nfs/dbraw/zinc/78/44/52/564784452.db2.gz BTXZGERAXIQFHY-LPHOPBHVSA-N 1 3 396.373 2.786 20 0 GFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000582296310 564839562 /nfs/dbraw/zinc/83/95/62/564839562.db2.gz DNLFXTHCFIPMFP-OAGGEKHMSA-N 1 3 389.309 2.790 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000584173255 564924489 /nfs/dbraw/zinc/92/44/89/564924489.db2.gz GADJOBBFBSJRMF-HOTGVXAUSA-N 1 3 394.357 2.729 20 0 GFADHO CN1CCC(O)(C[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000638682105 565206462 /nfs/dbraw/zinc/20/64/62/565206462.db2.gz QKYGCMOGZQCURH-ROUUACIJSA-N 1 3 396.373 2.631 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000617502693 565242375 /nfs/dbraw/zinc/24/23/75/565242375.db2.gz YXVRASJFYMVFIK-KBXCAEBGSA-N 1 3 396.373 2.867 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000617502693 565242379 /nfs/dbraw/zinc/24/23/79/565242379.db2.gz YXVRASJFYMVFIK-KBXCAEBGSA-N 1 3 396.373 2.867 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000617506231 565243719 /nfs/dbraw/zinc/24/37/19/565243719.db2.gz GKEUIJDCAVUXIS-ZDUSSCGKSA-N 1 3 395.345 2.932 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000617506231 565243725 /nfs/dbraw/zinc/24/37/25/565243725.db2.gz GKEUIJDCAVUXIS-ZDUSSCGKSA-N 1 3 395.345 2.932 20 0 GFADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698713 565382232 /nfs/dbraw/zinc/38/22/32/565382232.db2.gz LNDSLEBNODYAGW-MRXNPFEDSA-N 1 3 375.460 2.618 20 0 GFADHO O=S1(=O)CC[C@H](NCC[C@H]2CCC[NH2+]C2)c2cc(Br)ccc21 ZINC000643510613 565434337 /nfs/dbraw/zinc/43/43/37/565434337.db2.gz ZDDIILWJYQHBJD-DOMZBBRYSA-N 1 3 387.343 2.647 20 0 GFADHO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CN1CCCC1 ZINC000644631944 565486151 /nfs/dbraw/zinc/48/61/51/565486151.db2.gz GSHWRVTXXMIUFS-MRXNPFEDSA-N 1 3 385.346 2.900 20 0 GFADHO CN(C)CCN(C)CCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000623087970 565495544 /nfs/dbraw/zinc/49/55/44/565495544.db2.gz RAOYKTZUFKDONN-UHFFFAOYSA-N 1 3 379.346 2.970 20 0 GFADHO Cc1cccc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1Br ZINC000628050928 565771789 /nfs/dbraw/zinc/77/17/89/565771789.db2.gz QKKVRSDXFQDKEY-HNNXBMFYSA-N 1 3 384.362 2.688 20 0 GFADHO Cc1cccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1Br ZINC000628050928 565771792 /nfs/dbraw/zinc/77/17/92/565771792.db2.gz QKKVRSDXFQDKEY-HNNXBMFYSA-N 1 3 384.362 2.688 20 0 GFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1ccc(I)s1 ZINC000602549533 565854265 /nfs/dbraw/zinc/85/42/65/565854265.db2.gz DJATWFCZUUKXMB-LBPRGKRZSA-N 1 3 394.322 2.679 20 0 GFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1ccc(I)s1 ZINC000602549533 565854269 /nfs/dbraw/zinc/85/42/69/565854269.db2.gz DJATWFCZUUKXMB-LBPRGKRZSA-N 1 3 394.322 2.679 20 0 GFADHO CN(C)CC[NH+]1CCC(CNCc2ncc(Br)cc2Cl)CC1 ZINC000631066170 565936803 /nfs/dbraw/zinc/93/68/03/565936803.db2.gz ZMONTLFZITYTCG-UHFFFAOYSA-N 1 3 389.769 2.861 20 0 GFADHO CN(CCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821604693 599592158 /nfs/dbraw/zinc/59/21/58/599592158.db2.gz BARUPQQURKWAPF-IBGZPJMESA-N 1 3 392.507 2.699 20 0 GFADHO CN(CCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821604693 599592160 /nfs/dbraw/zinc/59/21/60/599592160.db2.gz BARUPQQURKWAPF-IBGZPJMESA-N 1 3 392.507 2.699 20 0 GFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3n[nH]c(C)c3Br)CC2)CC1 ZINC000616009124 651888794 /nfs/dbraw/zinc/88/87/94/651888794.db2.gz PLAUTKZHRRCJPW-UHFFFAOYSA-N 1 3 398.349 2.615 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000119361678 655300750 /nfs/dbraw/zinc/30/07/50/655300750.db2.gz SODCTSMTCMSWEW-WBVHZDCISA-N 1 3 387.615 2.641 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000119361678 655300751 /nfs/dbraw/zinc/30/07/51/655300751.db2.gz SODCTSMTCMSWEW-WBVHZDCISA-N 1 3 387.615 2.641 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000119371008 655301268 /nfs/dbraw/zinc/30/12/68/655301268.db2.gz MXQWZTGRNODPPO-ZMSDIMECSA-N 1 3 387.615 2.639 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000119371008 655301269 /nfs/dbraw/zinc/30/12/69/655301269.db2.gz MXQWZTGRNODPPO-ZMSDIMECSA-N 1 3 387.615 2.639 20 0 GFADHO C[NH+]1CCC(O)(CNCc2cc(Br)ccc2OC(F)F)CC1 ZINC000265859403 655492141 /nfs/dbraw/zinc/49/21/41/655492141.db2.gz JOZKCXFFPYBNSF-UHFFFAOYSA-N 1 3 379.245 2.597 20 0 GFADHO [NH3+]CCCCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000579107003 655494033 /nfs/dbraw/zinc/49/40/33/655494033.db2.gz AJPNIFRAOZVHBP-UHFFFAOYSA-N 1 3 398.345 2.538 20 0 GFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000848192820 661631952 /nfs/dbraw/zinc/63/19/52/661631952.db2.gz JOOWWDCBWAZEIR-QGZVFWFLSA-N 1 3 376.372 2.883 20 0 GFADHO COC[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1cccc(Br)c1 ZINC000877758680 662882972 /nfs/dbraw/zinc/88/29/72/662882972.db2.gz KCLUZPJSDGYYCZ-QGZVFWFLSA-N 1 3 385.346 2.962 20 0 GFADHO CCN1CCN(CCC[NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000893326013 663407515 /nfs/dbraw/zinc/40/75/15/663407515.db2.gz AJMQYVFSEPMFJA-UHFFFAOYSA-N 1 3 397.361 2.525 20 0 GFADHO Cc1c(C[C@@H](CN)C[NH2+]CC2(c3ccccc3Br)CC2)cnn1C ZINC000903922968 663811644 /nfs/dbraw/zinc/81/16/44/663811644.db2.gz IMIOKCRUVCJWCK-HNNXBMFYSA-N 1 3 391.357 2.930 20 0 GFADHO O[C@@H](CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000923431477 664630390 /nfs/dbraw/zinc/63/03/90/664630390.db2.gz QJFKEOSPGOQAPF-FCEWJHQRSA-N 1 3 384.351 2.927 20 0 GFADHO C[C@H](N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1nc(Br)ccc1F ZINC000925043475 664665999 /nfs/dbraw/zinc/66/59/99/664665999.db2.gz YQNRINDRSSFSAY-STQMWFEESA-N 1 3 385.325 2.802 20 0 GFADHO C[C@H](N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1nc(Br)ccc1F ZINC000925043475 664666000 /nfs/dbraw/zinc/66/60/00/664666000.db2.gz YQNRINDRSSFSAY-STQMWFEESA-N 1 3 385.325 2.802 20 0 GFADHO O=C1O[C@H](CN[C@H]2CCc3sc(Br)cc32)CC12CC[NH2+]CC2 ZINC000925852026 664676039 /nfs/dbraw/zinc/67/60/39/664676039.db2.gz ZAIGHVPEDQONRA-JQWIXIFHSA-N 1 3 385.327 2.773 20 0 GFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1CN1CCCC1)C2 ZINC001164815217 720197698 /nfs/dbraw/zinc/19/76/98/720197698.db2.gz XDQHSKWZBPZHGI-GGAORHGYSA-N 1 3 384.568 2.862 20 0 GFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncccc1CN1CCCC1)C2 ZINC001164815217 720197704 /nfs/dbraw/zinc/19/77/04/720197704.db2.gz XDQHSKWZBPZHGI-GGAORHGYSA-N 1 3 384.568 2.862 20 0 GFADHO Fc1cccc(CN2CC[C@@]23CCCN(c2ccc(N4CC[NH2+]CC4)cn2)C3)c1 ZINC001164997174 722206240 /nfs/dbraw/zinc/20/62/40/722206240.db2.gz WRIAMQYMNGHMKW-HSZRJFAPSA-N 1 3 395.526 2.875 20 0 GFADHO O=C(c1cc(F)c(F)cc1I)N1CCC2CCC(C1)[NH2+]2 ZINC000262631033 553173617 /nfs/dbraw/zinc/17/36/17/553173617.db2.gz MRIJHRWFLUUCKU-BDAKNGLRSA-N 1 3 392.187 2.536 20 0 GFADHO O=S(=O)(NCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423096401 563355143 /nfs/dbraw/zinc/35/51/43/563355143.db2.gz HQZIVWKBOPIACX-OIISXLGYSA-N 1 3 385.961 2.519 20 0 GFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000423109830 563355375 /nfs/dbraw/zinc/35/53/75/563355375.db2.gz VCSIMVOAHQOJLV-CVEARBPZSA-N 1 3 387.977 2.909 20 0 GFADHO C[C@H](CCCC[NH3+])N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423445473 563361321 /nfs/dbraw/zinc/36/13/21/563361321.db2.gz XWJZEMBIESYJGS-RISCZKNCSA-N 1 3 375.332 2.775 20 0 GFADHO [NH3+]CC(=O)N1CCC[C@H](CN(Cc2cc(Br)ccc2F)C2CC2)C1 ZINC000414726792 563750759 /nfs/dbraw/zinc/75/07/59/563750759.db2.gz ADQLYLMMBYVSSR-ZDUSSCGKSA-N 1 3 398.320 2.750 20 0 GFADHO CN(Cc1cc(Br)ccc1Cl)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414748956 563751837 /nfs/dbraw/zinc/75/18/37/563751837.db2.gz VMAOCXCWLVWEFK-GFCCVEGCSA-N 1 3 388.737 2.732 20 0 GFADHO CN(Cc1ccc(Br)cc1Cl)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414739949 563751910 /nfs/dbraw/zinc/75/19/10/563751910.db2.gz CLYSKVMGXSVKMT-LBPRGKRZSA-N 1 3 388.737 2.732 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000414739944 563752161 /nfs/dbraw/zinc/75/21/61/563752161.db2.gz CLUISXSJZZXWEN-HNNXBMFYSA-N 1 3 394.357 2.826 20 0 GFADHO CCN1CCN(CCC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549709463 564602251 /nfs/dbraw/zinc/60/22/51/564602251.db2.gz DXAWLLNEWQUKIP-KRWDZBQOSA-N 1 3 380.374 2.924 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000531118850 564901829 /nfs/dbraw/zinc/90/18/29/564901829.db2.gz IUJJTGMKSAQZAE-UHFFFAOYSA-N 1 3 382.961 2.834 20 0 GFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)s1 ZINC000499511993 564929640 /nfs/dbraw/zinc/92/96/40/564929640.db2.gz CWCKOHHQQCVJFL-ZDUSSCGKSA-N 1 3 388.375 2.999 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000617504046 565242120 /nfs/dbraw/zinc/24/21/20/565242120.db2.gz GFKUSXXLKGDNPF-ZDUSSCGKSA-N 1 3 395.345 2.932 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000617504046 565242125 /nfs/dbraw/zinc/24/21/25/565242125.db2.gz GFKUSXXLKGDNPF-ZDUSSCGKSA-N 1 3 395.345 2.932 20 0 GFADHO Cc1csc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1Br ZINC000617507259 565244397 /nfs/dbraw/zinc/24/43/97/565244397.db2.gz OQJQSUDGSJEPPD-LBPRGKRZSA-N 1 3 376.364 2.821 20 0 GFADHO Cc1csc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1Br ZINC000617507259 565244398 /nfs/dbraw/zinc/24/43/98/565244398.db2.gz OQJQSUDGSJEPPD-LBPRGKRZSA-N 1 3 376.364 2.821 20 0 GFADHO C[NH2+]CCCC(=O)N1CCC(NCc2ccc(F)cc2Br)CC1 ZINC000663504627 565424384 /nfs/dbraw/zinc/42/43/84/565424384.db2.gz ZIAQDFVIXCPXFT-UHFFFAOYSA-N 1 3 386.309 2.668 20 0 GFADHO CCNCCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000643499008 565434300 /nfs/dbraw/zinc/43/43/00/565434300.db2.gz KYOYAWREKQFMAZ-UHFFFAOYSA-N 1 3 382.346 2.951 20 0 GFADHO CC[NH2+]CCCNC1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000643499008 565434304 /nfs/dbraw/zinc/43/43/04/565434304.db2.gz KYOYAWREKQFMAZ-UHFFFAOYSA-N 1 3 382.346 2.951 20 0 GFADHO C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824577506 609340905 /nfs/dbraw/zinc/34/09/05/609340905.db2.gz LFRYWIMOMMVMHB-CQSZACIVSA-N 1 3 381.459 2.968 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cccc(Br)c1 ZINC000820068527 660280145 /nfs/dbraw/zinc/28/01/45/660280145.db2.gz MSWJLJINGMUZKA-HNNXBMFYSA-N 1 3 399.377 2.863 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cccc(Br)c1 ZINC000820068527 660280151 /nfs/dbraw/zinc/28/01/51/660280151.db2.gz MSWJLJINGMUZKA-HNNXBMFYSA-N 1 3 399.377 2.863 20 0 GFADHO Cc1cc(Br)nc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000823719573 660378731 /nfs/dbraw/zinc/37/87/31/660378731.db2.gz WXFMRLAVMILKSO-ZDUSSCGKSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1cc(Br)nc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000823719573 660378733 /nfs/dbraw/zinc/37/87/33/660378733.db2.gz WXFMRLAVMILKSO-ZDUSSCGKSA-N 1 3 386.338 2.546 20 0 GFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(Cl)sc1Cl ZINC000847418784 661591687 /nfs/dbraw/zinc/59/16/87/661591687.db2.gz KHZDMIGBFRLULO-NSHDSACASA-N 1 3 379.357 2.938 20 0 GFADHO CN1CCC([N@@H+]2CC[C@H](NCc3nc(Cl)ccc3Br)C2)CC1 ZINC000877028093 662869818 /nfs/dbraw/zinc/86/98/18/662869818.db2.gz XJOLPGZNQOZGDO-LBPRGKRZSA-N 1 3 387.753 2.756 20 0 GFADHO CN1CCC([N@H+]2CC[C@H](NCc3nc(Cl)ccc3Br)C2)CC1 ZINC000877028093 662869819 /nfs/dbraw/zinc/86/98/19/662869819.db2.gz XJOLPGZNQOZGDO-LBPRGKRZSA-N 1 3 387.753 2.756 20 0 GFADHO CC(=O)Nc1cc(Br)ccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000893105064 663396599 /nfs/dbraw/zinc/39/65/99/663396599.db2.gz CFUZPOCYAXHHNE-UHFFFAOYSA-N 1 3 398.345 2.732 20 0 GFADHO [NH3+][C@H](CNC1CCN(Cc2cccc(Br)c2)CC1)CC(F)F ZINC000903929128 663812266 /nfs/dbraw/zinc/81/22/66/663812266.db2.gz AQCFHGOXRCFEIE-AWEZNQCLSA-N 1 3 376.289 2.986 20 0 GFADHO [NH3+][C@@H]1CC[C@@H]2CN(C[C@H](O)COc3ccc(Cl)cc3Br)C[C@@H]12 ZINC000923331685 664628437 /nfs/dbraw/zinc/62/84/37/664628437.db2.gz HUZWSMITTBBVTI-CQROYNQRSA-N 1 3 389.721 2.511 20 0 GFADHO O=C1O[C@@H](CN[C@@H]2CCc3sc(Br)cc32)CC12CC[NH2+]CC2 ZINC000925852028 664675991 /nfs/dbraw/zinc/67/59/91/664675991.db2.gz ZAIGHVPEDQONRA-ZYHUDNBSSA-N 1 3 385.327 2.773 20 0 GFADHO c1ccc(CN2CCc3nc(N4CC[NH+](C[C@H]5CCCO5)CC4)ccc3C2)cc1 ZINC001165040104 721906262 /nfs/dbraw/zinc/90/62/62/721906262.db2.gz YJYCMPVXRNOYMA-JOCHJYFZSA-N 1 3 392.547 2.941 20 0 GFADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Br)cc1 ZINC000150942387 551404215 /nfs/dbraw/zinc/40/42/15/551404215.db2.gz YOKPJVWOKSMYSG-IBGZPJMESA-N 1 3 398.389 2.880 20 0 GFADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418584581 563220748 /nfs/dbraw/zinc/22/07/48/563220748.db2.gz CFRIFFVPGKOHPI-WMLDXEAASA-N 1 3 397.361 2.520 20 0 GFADHO CC[C@H]([NH3+])CNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000418715189 563222604 /nfs/dbraw/zinc/22/26/04/563222604.db2.gz QZYWRGPPKLVUJQ-HNNXBMFYSA-N 1 3 397.361 2.792 20 0 GFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1Br ZINC000423451212 563361495 /nfs/dbraw/zinc/36/14/95/563361495.db2.gz IFMBLUFXFYFABL-LSKLOWJMSA-N 1 3 398.320 2.886 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000414751746 563752174 /nfs/dbraw/zinc/75/21/74/563752174.db2.gz JEFMHRNVAYMCHV-QGZVFWFLSA-N 1 3 394.357 2.858 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000414751746 563752177 /nfs/dbraw/zinc/75/21/77/563752177.db2.gz JEFMHRNVAYMCHV-QGZVFWFLSA-N 1 3 394.357 2.858 20 0 GFADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000367244957 563837934 /nfs/dbraw/zinc/83/79/34/563837934.db2.gz URGDHXJIPHCFJR-AXUOBQJMSA-N 1 3 397.357 2.962 20 0 GFADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000367244957 563837935 /nfs/dbraw/zinc/83/79/35/563837935.db2.gz URGDHXJIPHCFJR-AXUOBQJMSA-N 1 3 397.357 2.962 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)c(Br)cc1F ZINC000566954533 564350983 /nfs/dbraw/zinc/35/09/83/564350983.db2.gz WYQDREUNQOPXES-UHFFFAOYSA-N 1 3 394.716 2.807 20 0 GFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000572088060 564580596 /nfs/dbraw/zinc/58/05/96/564580596.db2.gz KUTLBLBMQOYGKA-CQSZACIVSA-N 1 3 385.350 2.645 20 0 GFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cccc(I)c1 ZINC000551597154 564657336 /nfs/dbraw/zinc/65/73/36/564657336.db2.gz ZHGYVNVTRLJXQH-HNNXBMFYSA-N 1 3 376.282 2.738 20 0 GFADHO CC1CC[NH+](C[C@H](O)CN[C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555550146 564797560 /nfs/dbraw/zinc/79/75/60/564797560.db2.gz JQPXOKKFZLNTJL-IAGOWNOFSA-N 1 3 381.358 2.989 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(F)c1Br ZINC000555872437 564806909 /nfs/dbraw/zinc/80/69/09/564806909.db2.gz IZFHRRHSAYRHQC-UHFFFAOYSA-N 1 3 394.716 2.807 20 0 GFADHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000562988315 565051075 /nfs/dbraw/zinc/05/10/75/565051075.db2.gz YDXORXZOXJVOBA-KRWDZBQOSA-N 1 3 385.346 2.899 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2ccccc2Br)CC1 ZINC000617507111 565244758 /nfs/dbraw/zinc/24/47/58/565244758.db2.gz IOZJKNZCTVPNHR-HNNXBMFYSA-N 1 3 396.373 2.869 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2ccccc2Br)CC1 ZINC000617507111 565244763 /nfs/dbraw/zinc/24/47/63/565244763.db2.gz IOZJKNZCTVPNHR-HNNXBMFYSA-N 1 3 396.373 2.869 20 0 GFADHO C[NH2+]CCCC(=O)N1CCC(NCc2csc(-c3cccs3)n2)CC1 ZINC000663503503 565424604 /nfs/dbraw/zinc/42/46/04/565424604.db2.gz JYQIELRWPPOLDU-UHFFFAOYSA-N 1 3 378.567 2.952 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(F)c(Br)c1 ZINC000666225651 565527626 /nfs/dbraw/zinc/52/76/26/565527626.db2.gz GZVLUODPYSEGKS-LBPRGKRZSA-N 1 3 389.313 2.982 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(F)c(Br)c1 ZINC000666225651 565527632 /nfs/dbraw/zinc/52/76/32/565527632.db2.gz GZVLUODPYSEGKS-LBPRGKRZSA-N 1 3 389.313 2.982 20 0 GFADHO CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(I)cc1 ZINC000610803916 566100582 /nfs/dbraw/zinc/10/05/82/566100582.db2.gz DWFXZQNDJVLDSP-CVEARBPZSA-N 1 3 388.293 2.789 20 0 GFADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000819084756 660246096 /nfs/dbraw/zinc/24/60/96/660246096.db2.gz OONSLQJTQPEHKX-KBXCAEBGSA-N 1 3 383.330 2.573 20 0 GFADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000124962490 654784807 /nfs/dbraw/zinc/78/48/07/654784807.db2.gz NMAUCCIFMBTFIZ-MRXNPFEDSA-N 1 3 395.345 2.979 20 0 GFADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000575040380 655434631 /nfs/dbraw/zinc/43/46/31/655434631.db2.gz VVJLAIHYHVFOHO-MRXNPFEDSA-N 1 3 391.339 2.824 20 0 GFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)cc2)CC1 ZINC000775377423 656633923 /nfs/dbraw/zinc/63/39/23/656633923.db2.gz WYYSKUOSHPTOKS-AQNXPRMDSA-N 1 3 377.623 2.903 20 0 GFADHO CN1CCC(O)(C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872038189 662754466 /nfs/dbraw/zinc/75/44/66/662754466.db2.gz LFSNAEHEQLAODD-RDJZCZTQSA-N 1 3 383.330 2.573 20 0 GFADHO C[C@@H](N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC000873268284 662804812 /nfs/dbraw/zinc/80/48/12/662804812.db2.gz BQBOXNWMCYWWCJ-IAQYHMDHSA-N 1 3 387.343 2.645 20 0 GFADHO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1CC(=O)NC1CC[NH+](C)CC1 ZINC000879055919 662914996 /nfs/dbraw/zinc/91/49/96/662914996.db2.gz HYIIYYMHEAPGQR-ZBFHGGJFSA-N 1 3 394.357 2.837 20 0 GFADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000903435902 663784723 /nfs/dbraw/zinc/78/47/23/663784723.db2.gz ZVWSFKRGTIIUJB-HIFRSBDPSA-N 1 3 380.330 2.955 20 0 GFADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388202 664598133 /nfs/dbraw/zinc/59/81/33/664598133.db2.gz CVVGPDPHFLZRIE-TVFCKZIOSA-N 1 3 382.346 2.722 20 0 GFADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388202 664598135 /nfs/dbraw/zinc/59/81/35/664598135.db2.gz CVVGPDPHFLZRIE-TVFCKZIOSA-N 1 3 382.346 2.722 20 0 GFADHO Fc1cccnc1N(c1ccc(CN2CCCC2)cn1)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164691087 719760373 /nfs/dbraw/zinc/76/03/73/719760373.db2.gz LDXZOHVUUCGYGF-AVRDEDQJSA-N 1 3 397.498 2.871 20 0 GFADHO CN1CCC(N(Cc2ccccc2Br)C(=O)NCCCC[NH3+])CC1 ZINC000418531112 563219225 /nfs/dbraw/zinc/21/92/25/563219225.db2.gz RLUNMNNKPOPJJG-UHFFFAOYSA-N 1 3 397.361 2.794 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423012345 563353311 /nfs/dbraw/zinc/35/33/11/563353311.db2.gz KJZGCEZSLJGAMT-JKOKRWQUSA-N 1 3 381.826 2.865 20 0 GFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423012345 563353313 /nfs/dbraw/zinc/35/33/13/563353313.db2.gz KJZGCEZSLJGAMT-JKOKRWQUSA-N 1 3 381.826 2.865 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423012347 563353467 /nfs/dbraw/zinc/35/34/67/563353467.db2.gz KJZGCEZSLJGAMT-VHRBIJSZSA-N 1 3 381.826 2.865 20 0 GFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423012347 563353471 /nfs/dbraw/zinc/35/34/71/563353471.db2.gz KJZGCEZSLJGAMT-VHRBIJSZSA-N 1 3 381.826 2.865 20 0 GFADHO COC[C@@H](CCC[NH3+])NCc1ccc(I)cc1Cl ZINC000423092174 563354583 /nfs/dbraw/zinc/35/45/83/563354583.db2.gz AUTLBNMWVXZCLC-GFCCVEGCSA-N 1 3 382.673 2.788 20 0 GFADHO COC[C@@H](CCC[NH3+])NCc1ccc(I)c(Cl)c1 ZINC000423115980 563356335 /nfs/dbraw/zinc/35/63/35/563356335.db2.gz ONDJETRMDRIRSI-LLVKDONJSA-N 1 3 382.673 2.788 20 0 GFADHO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCC[C@H]2CN)cc1Br ZINC000423165265 563357844 /nfs/dbraw/zinc/35/78/44/563357844.db2.gz UFHNDCHEBSCDSZ-YQQAZPJKSA-N 1 3 385.346 2.716 20 0 GFADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000375837381 563420843 /nfs/dbraw/zinc/42/08/43/563420843.db2.gz GMLCMBGHNQYRMQ-OAHLLOKOSA-N 1 3 385.599 2.611 20 0 GFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(Br)cc1 ZINC000414204499 563722473 /nfs/dbraw/zinc/72/24/73/563722473.db2.gz WJWXJPZTPUELIU-MRXNPFEDSA-N 1 3 396.373 2.896 20 0 GFADHO Cc1cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)sc1Br ZINC000414995317 563756269 /nfs/dbraw/zinc/75/62/69/563756269.db2.gz WHKHSPZQIFFLQF-LLVKDONJSA-N 1 3 386.281 2.745 20 0 GFADHO C[C@H](C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1)c1cccc(Br)c1 ZINC000415102690 563759020 /nfs/dbraw/zinc/75/90/20/563759020.db2.gz CQVXYRGAKRXPLF-CXAGYDPISA-N 1 3 378.318 2.940 20 0 GFADHO C[C@H](C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1)c1cccc(Br)c1 ZINC000415102690 563759023 /nfs/dbraw/zinc/75/90/23/563759023.db2.gz CQVXYRGAKRXPLF-CXAGYDPISA-N 1 3 378.318 2.940 20 0 GFADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000367244959 563837758 /nfs/dbraw/zinc/83/77/58/563837758.db2.gz URGDHXJIPHCFJR-FDPIWHGQSA-N 1 3 397.357 2.962 20 0 GFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000367244959 563837760 /nfs/dbraw/zinc/83/77/60/563837760.db2.gz URGDHXJIPHCFJR-FDPIWHGQSA-N 1 3 397.357 2.962 20 0 GFADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000564826285 564250664 /nfs/dbraw/zinc/25/06/64/564250664.db2.gz KIGXXXRHNVLROT-BRWVUGGUSA-N 1 3 380.330 2.689 20 0 GFADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cc(Br)cc2c1OCC2 ZINC000569954678 564485563 /nfs/dbraw/zinc/48/55/63/564485563.db2.gz YBLBVLGJENXFIU-UHFFFAOYSA-N 1 3 384.362 2.699 20 0 GFADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cc(Br)cc2c1OCC2 ZINC000569954678 564485566 /nfs/dbraw/zinc/48/55/66/564485566.db2.gz YBLBVLGJENXFIU-UHFFFAOYSA-N 1 3 384.362 2.699 20 0 GFADHO CN(CCCN(C)Cc1cc(Br)cc2c1OCC2)CC[NH+](C)C ZINC000569954678 564485568 /nfs/dbraw/zinc/48/55/68/564485568.db2.gz YBLBVLGJENXFIU-UHFFFAOYSA-N 1 3 384.362 2.699 20 0 GFADHO C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)CCCN(C)CC[NH+](C)C ZINC000571323200 564546429 /nfs/dbraw/zinc/54/64/29/564546429.db2.gz UHMSNXBSDFNLBY-HNNXBMFYSA-N 1 3 399.377 2.591 20 0 GFADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@@H]2CCC[C@@H]21 ZINC000552275877 564684388 /nfs/dbraw/zinc/68/43/88/564684388.db2.gz CQLLNIGEPABDRU-OTRWWLKZSA-N 1 3 383.330 2.651 20 0 GFADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2ccccc2Br)[C@@H]2CCC[C@@H]21 ZINC000552275877 564684393 /nfs/dbraw/zinc/68/43/93/564684393.db2.gz CQLLNIGEPABDRU-OTRWWLKZSA-N 1 3 383.330 2.651 20 0 GFADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2ccccc2Br)[C@@H]2CCC[C@@H]21 ZINC000552275877 564684397 /nfs/dbraw/zinc/68/43/97/564684397.db2.gz CQLLNIGEPABDRU-OTRWWLKZSA-N 1 3 383.330 2.651 20 0 GFADHO Brc1cccc(OCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530239484 564873338 /nfs/dbraw/zinc/87/33/38/564873338.db2.gz GAUKOOZPCYOVLC-SFHVURJKSA-N 1 3 383.330 2.918 20 0 GFADHO CSC1(CNCc2c(C)nn(C)c2OCC(F)(F)F)CC[NH+](C)CC1 ZINC000583470100 564893202 /nfs/dbraw/zinc/89/32/02/564893202.db2.gz UROXLYSDRBGKAV-UHFFFAOYSA-N 1 3 380.480 2.587 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584173256 564923904 /nfs/dbraw/zinc/92/39/04/564923904.db2.gz GADJOBBFBSJRMF-HZPDHXFCSA-N 1 3 394.357 2.729 20 0 GFADHO CC(C)(C)N1CCC([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000467406626 564962451 /nfs/dbraw/zinc/96/24/51/564962451.db2.gz PZVJCTXHGPZWSO-UHFFFAOYSA-N 1 3 387.977 2.861 20 0 GFADHO CC1(CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC[NH2+]CC1 ZINC000562962721 565049509 /nfs/dbraw/zinc/04/95/09/565049509.db2.gz PWRVZLSEKARAJZ-CQSZACIVSA-N 1 3 387.343 2.647 20 0 GFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000639112295 565226299 /nfs/dbraw/zinc/22/62/99/565226299.db2.gz AZMWEEATHNPOQA-QGZVFWFLSA-N 1 3 396.373 2.853 20 0 GFADHO C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(Br)cc1 ZINC000617506178 565243876 /nfs/dbraw/zinc/24/38/76/565243876.db2.gz DOWJJCKRFOLDHR-LSDHHAIUSA-N 1 3 384.362 2.941 20 0 GFADHO C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(Br)cc1 ZINC000617506178 565243881 /nfs/dbraw/zinc/24/38/81/565243881.db2.gz DOWJJCKRFOLDHR-LSDHHAIUSA-N 1 3 384.362 2.941 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Br)c(F)c1 ZINC000617506217 565244302 /nfs/dbraw/zinc/24/43/02/565244302.db2.gz FWOIJFAZJWCDBN-ZDUSSCGKSA-N 1 3 388.325 2.519 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Br)c(F)c1 ZINC000617506217 565244306 /nfs/dbraw/zinc/24/43/06/565244306.db2.gz FWOIJFAZJWCDBN-ZDUSSCGKSA-N 1 3 388.325 2.519 20 0 GFADHO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cc2c(s1)CCNC2 ZINC000662457407 565370247 /nfs/dbraw/zinc/37/02/47/565370247.db2.gz NFUNDQXURSDOIK-UHFFFAOYSA-N 1 3 379.595 2.875 20 0 GFADHO O=C(NCC1(N2CCSCC2)CCCCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662457407 565370250 /nfs/dbraw/zinc/37/02/50/565370250.db2.gz NFUNDQXURSDOIK-UHFFFAOYSA-N 1 3 379.595 2.875 20 0 GFADHO CN1CCC[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000662743938 565383224 /nfs/dbraw/zinc/38/32/24/565383224.db2.gz ABHOXHHFZXZZNT-XPKDYRNWSA-N 1 3 375.460 2.789 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccc(Br)c1 ZINC000663856272 565439980 /nfs/dbraw/zinc/43/99/80/565439980.db2.gz PGWWTJSLDDXBHE-AWEZNQCLSA-N 1 3 385.350 2.520 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccc(Br)c1 ZINC000663856272 565439988 /nfs/dbraw/zinc/43/99/88/565439988.db2.gz PGWWTJSLDDXBHE-AWEZNQCLSA-N 1 3 385.350 2.520 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Br)c(F)c1 ZINC000666193774 565526517 /nfs/dbraw/zinc/52/65/17/565526517.db2.gz WJCOMFNWMMNJPQ-LBPRGKRZSA-N 1 3 389.313 2.982 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Br)c(F)c1 ZINC000666193774 565526524 /nfs/dbraw/zinc/52/65/24/565526524.db2.gz WJCOMFNWMMNJPQ-LBPRGKRZSA-N 1 3 389.313 2.982 20 0 GFADHO C[C@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)C[NH2+]1 ZINC000627196812 565726397 /nfs/dbraw/zinc/72/63/97/565726397.db2.gz VUSFLTSOLBEFRS-YOEHRIQHSA-N 1 3 397.361 2.663 20 0 GFADHO C[C@@H](CCc1ccc(I)cc1)NCC1([NH3+])CCOCC1 ZINC000600709046 565745654 /nfs/dbraw/zinc/74/56/54/565745654.db2.gz NUQKNSDXROPIAV-ZDUSSCGKSA-N 1 3 388.293 2.710 20 0 GFADHO CN(CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)C1CCC1 ZINC000629974169 565877940 /nfs/dbraw/zinc/87/79/40/565877940.db2.gz XAHVHJGNKAHQEL-UHFFFAOYSA-N 1 3 382.346 2.824 20 0 GFADHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000635007305 566187826 /nfs/dbraw/zinc/18/78/26/566187826.db2.gz VYJUZUIWCKEBOJ-QMROVXIMSA-N 1 3 377.326 2.834 20 0 GFADHO COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826157944 608378442 /nfs/dbraw/zinc/37/84/42/608378442.db2.gz SGWQILMUFXNZTH-KRWDZBQOSA-N 1 3 386.544 2.998 20 0 GFADHO COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826157944 608378443 /nfs/dbraw/zinc/37/84/43/608378443.db2.gz SGWQILMUFXNZTH-KRWDZBQOSA-N 1 3 386.544 2.998 20 0 GFADHO COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826157944 608378444 /nfs/dbraw/zinc/37/84/44/608378444.db2.gz SGWQILMUFXNZTH-KRWDZBQOSA-N 1 3 386.544 2.998 20 0 GFADHO COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826157944 608378445 /nfs/dbraw/zinc/37/84/45/608378445.db2.gz SGWQILMUFXNZTH-KRWDZBQOSA-N 1 3 386.544 2.998 20 0 GFADHO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824577505 609340981 /nfs/dbraw/zinc/34/09/81/609340981.db2.gz LFRYWIMOMMVMHB-AWEZNQCLSA-N 1 3 381.459 2.968 20 0 GFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000819172579 660248558 /nfs/dbraw/zinc/24/85/58/660248558.db2.gz DTGKAVQBQPZEOG-CEXWTWQISA-N 1 3 397.357 2.840 20 0 GFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1Br ZINC000819175487 660248883 /nfs/dbraw/zinc/24/88/83/660248883.db2.gz YNKIBJGLAHCTSQ-CEXWTWQISA-N 1 3 397.357 2.840 20 0 GFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269054693 654996285 /nfs/dbraw/zinc/99/62/85/654996285.db2.gz IXAHQNAOIJNYNX-HIFRSBDPSA-N 1 3 378.485 2.690 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cncc(Br)c3)CC2)CC1 ZINC000120318017 655334974 /nfs/dbraw/zinc/33/49/74/655334974.db2.gz HQPJLEUZPRIDGI-UHFFFAOYSA-N 1 3 396.333 2.524 20 0 GFADHO CN(CC(=O)Nc1c(F)cc(F)cc1Br)C1CCC([NH3+])CC1 ZINC000843353619 661378405 /nfs/dbraw/zinc/37/84/05/661378405.db2.gz FNOIMZBYJQFVTB-UHFFFAOYSA-N 1 3 376.245 2.868 20 0 GFADHO C[NH+]1CCC2(CCN(Cc3cnn4cc(Br)cnc34)CC2)CC1 ZINC000877684144 662881803 /nfs/dbraw/zinc/88/18/03/662881803.db2.gz IHAQXFBPLFBEAP-UHFFFAOYSA-N 1 3 378.318 2.800 20 0 GFADHO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1CC(=O)NC1CC[NH+](C)CC1 ZINC000879055917 662914948 /nfs/dbraw/zinc/91/49/48/662914948.db2.gz HYIIYYMHEAPGQR-GOEBONIOSA-N 1 3 394.357 2.837 20 0 GFADHO CSC1(CNCc2sc(N3CCOCC3)nc2Cl)CC[NH+](C)CC1 ZINC000894793800 663482087 /nfs/dbraw/zinc/48/20/87/663482087.db2.gz IXYWLQPFIQTRBP-UHFFFAOYSA-N 1 3 391.006 2.550 20 0 GFADHO c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)cn2)c1 ZINC001164724402 720481284 /nfs/dbraw/zinc/48/12/84/720481284.db2.gz FYTIEVCJXAMKIY-FGZHOGPDSA-N 1 3 393.535 2.708 20 0 GFADHO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000153767009 551460310 /nfs/dbraw/zinc/46/03/10/551460310.db2.gz DLYRZZKDKZSHIB-HNNXBMFYSA-N 1 3 399.377 2.515 20 0 GFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000187204613 552409469 /nfs/dbraw/zinc/40/94/69/552409469.db2.gz CQWXQSNWOYWIAF-OAHLLOKOSA-N 1 3 384.362 2.821 20 0 GFADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000418697680 563222978 /nfs/dbraw/zinc/22/29/78/563222978.db2.gz MEUIWZXRYNYJMR-ZIAGYGMSSA-N 1 3 397.361 2.791 20 0 GFADHO CCOC(=O)C1([C@@H](C)NCc2csc(Br)c2)CC[NH2+]CC1 ZINC000422861156 563349726 /nfs/dbraw/zinc/34/97/26/563349726.db2.gz MIRJPXCGOSDALF-LLVKDONJSA-N 1 3 375.332 2.922 20 0 GFADHO COc1cc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1SC ZINC000423377730 563360403 /nfs/dbraw/zinc/36/04/03/563360403.db2.gz FGDQGQOADDKQCP-LRDDRELGSA-N 1 3 377.476 2.904 20 0 GFADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)s1 ZINC000423391052 563360436 /nfs/dbraw/zinc/36/04/36/563360436.db2.gz PCSLNQVPVDXQCU-GXSJLCMTSA-N 1 3 386.281 2.997 20 0 GFADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)cs1 ZINC000423372810 563360485 /nfs/dbraw/zinc/36/04/85/563360485.db2.gz BJTVNRGDVFWXMB-BXKDBHETSA-N 1 3 386.281 2.997 20 0 GFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Br)ccc1F ZINC000423467550 563361232 /nfs/dbraw/zinc/36/12/32/563361232.db2.gz XQPTVCMRWBHUIH-ONUMYQOESA-N 1 3 398.320 2.886 20 0 GFADHO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431015639 563551519 /nfs/dbraw/zinc/55/15/19/563551519.db2.gz WFQIFOSYIMGINQ-OAHLLOKOSA-N 1 3 394.357 2.872 20 0 GFADHO Cc1cc(Br)c(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)s1 ZINC000333177154 563623369 /nfs/dbraw/zinc/62/33/69/563623369.db2.gz RBZBADJNWXAOFP-CJNGLKHVSA-N 1 3 386.359 2.555 20 0 GFADHO COCC1(CNCc2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]CC1 ZINC000414978928 563756215 /nfs/dbraw/zinc/75/62/15/563756215.db2.gz UFEKKABTFGRFEJ-UHFFFAOYSA-N 1 3 393.329 2.741 20 0 GFADHO C[C@@H](Cc1ccc(Br)c(F)c1)NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567674718 564382529 /nfs/dbraw/zinc/38/25/29/564382529.db2.gz YYTIOIFAAQWRRW-NSHDSACASA-N 1 3 396.308 2.894 20 0 GFADHO CCN(CC)[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000481061577 564502356 /nfs/dbraw/zinc/50/23/56/564502356.db2.gz PFUQWQHGSDOEHR-AEFFLSMTSA-N 1 3 384.615 2.868 20 0 GFADHO C[NH+](C)[C@]1(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CCSC1 ZINC000481232506 564506873 /nfs/dbraw/zinc/50/68/73/564506873.db2.gz NTPKZQJBNBTTOS-QAPCUYQASA-N 1 3 382.599 2.622 20 0 GFADHO CN1CCN(C(C)(C)CNCc2ccc(Br)c(F)c2F)CC1 ZINC000527636445 564752168 /nfs/dbraw/zinc/75/21/68/564752168.db2.gz SZNZLHDTGLQMJF-UHFFFAOYSA-N 1 3 376.289 2.843 20 0 GFADHO COc1cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc(Br)c1[O-] ZINC000657574289 565109921 /nfs/dbraw/zinc/10/99/21/565109921.db2.gz VMJRQCUUCMNGDL-ZDUSSCGKSA-N 1 3 388.350 2.525 20 0 GFADHO Brc1ccc([C@@H](NCCCN2CC[NH2+]CC2)[C@H]2CCCO2)cc1 ZINC000643496344 565434277 /nfs/dbraw/zinc/43/42/77/565434277.db2.gz BAMAJSASGDFOMC-QZTJIDSGSA-N 1 3 382.346 2.554 20 0 GFADHO C[N@@H+]1CCCN(CCCNCc2c(F)ccc(Br)c2F)CC1 ZINC000669681482 565699138 /nfs/dbraw/zinc/69/91/38/565699138.db2.gz NJLIJBVWEYSRIB-UHFFFAOYSA-N 1 3 376.289 2.845 20 0 GFADHO C[N@H+]1CCCN(CCCNCc2c(F)ccc(Br)c2F)CC1 ZINC000669681482 565699145 /nfs/dbraw/zinc/69/91/45/565699145.db2.gz NJLIJBVWEYSRIB-UHFFFAOYSA-N 1 3 376.289 2.845 20 0 GFADHO C[C@H](CCc1ccc(I)cc1)NCC1([NH3+])CCOCC1 ZINC000600709036 565745806 /nfs/dbraw/zinc/74/58/06/565745806.db2.gz NUQKNSDXROPIAV-CYBMUJFWSA-N 1 3 388.293 2.710 20 0 GFADHO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629531843 565857346 /nfs/dbraw/zinc/85/73/46/565857346.db2.gz ABDXPUJOWGXKMP-VBQJREDUSA-N 1 3 378.314 2.634 20 0 GFADHO CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821197146 606847228 /nfs/dbraw/zinc/84/72/28/606847228.db2.gz GSURWHXDJOONIQ-HXUWFJFHSA-N 1 3 380.496 2.532 20 0 GFADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820705035 606914986 /nfs/dbraw/zinc/91/49/86/606914986.db2.gz RQHKVEQICCGNDB-UTKZUKDTSA-N 1 3 398.555 2.877 20 0 GFADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820705035 606914987 /nfs/dbraw/zinc/91/49/87/606914987.db2.gz RQHKVEQICCGNDB-UTKZUKDTSA-N 1 3 398.555 2.877 20 0 GFADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820705035 606914988 /nfs/dbraw/zinc/91/49/88/606914988.db2.gz RQHKVEQICCGNDB-UTKZUKDTSA-N 1 3 398.555 2.877 20 0 GFADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820705035 606914989 /nfs/dbraw/zinc/91/49/89/606914989.db2.gz RQHKVEQICCGNDB-UTKZUKDTSA-N 1 3 398.555 2.877 20 0 GFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000819172939 660248605 /nfs/dbraw/zinc/24/86/05/660248605.db2.gz HRRMIBDAWIUARW-GBESFXJTSA-N 1 3 397.357 2.840 20 0 GFADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)c2ccccc2Br)ccn1 ZINC000819197107 660249825 /nfs/dbraw/zinc/24/98/25/660249825.db2.gz XKISCTKVCQVQAT-QGZVFWFLSA-N 1 3 394.313 2.608 20 0 GFADHO COCCC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Br)cc1 ZINC000268881030 654990070 /nfs/dbraw/zinc/99/00/70/654990070.db2.gz XSTSUGZDHZATGR-ZWKOTPCHSA-N 1 3 385.346 2.963 20 0 GFADHO C[N@H+](CCCCNCc1cn(-c2ccccc2Br)nn1)C1CC1 ZINC000453601770 655411815 /nfs/dbraw/zinc/41/18/15/655411815.db2.gz VQSZYXGAFDYJJJ-UHFFFAOYSA-N 1 3 378.318 2.994 20 0 GFADHO C[N@@H+](CCCCNCc1cn(-c2ccccc2Br)nn1)C1CC1 ZINC000453601770 655411816 /nfs/dbraw/zinc/41/18/16/655411816.db2.gz VQSZYXGAFDYJJJ-UHFFFAOYSA-N 1 3 378.318 2.994 20 0 GFADHO O=c1ccn(CN2CCN(c3cc[nH+]cc3)CC2)c2c(Br)cccc12 ZINC000726867167 655539218 /nfs/dbraw/zinc/53/92/18/655539218.db2.gz AKZACGMOBIGMEP-UHFFFAOYSA-N 1 3 399.292 2.939 20 0 GFADHO COCC[C@H](N)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000884308131 663068578 /nfs/dbraw/zinc/06/85/78/663068578.db2.gz GJOZXKKXFXZPIF-KRWDZBQOSA-N 1 3 388.339 2.782 20 0 GFADHO O=C(Nc1ccc(Br)cn1)C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903737195 663805568 /nfs/dbraw/zinc/80/55/68/663805568.db2.gz QHFCTGWBSLWKHI-CQSZACIVSA-N 1 3 395.345 2.884 20 0 GFADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388200 664598233 /nfs/dbraw/zinc/59/82/33/664598233.db2.gz CVVGPDPHFLZRIE-BDXSIMOUSA-N 1 3 382.346 2.722 20 0 GFADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388200 664598235 /nfs/dbraw/zinc/59/82/35/664598235.db2.gz CVVGPDPHFLZRIE-BDXSIMOUSA-N 1 3 382.346 2.722 20 0 GFADHO [NH3+]CCCOC1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923299168 664627844 /nfs/dbraw/zinc/62/78/44/664627844.db2.gz YMHMMKLWCGWGAF-AWEZNQCLSA-N 1 3 377.312 2.563 20 0 GFADHO c1cncc(CN2CCO[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164985509 722130546 /nfs/dbraw/zinc/13/05/46/722130546.db2.gz ZRJXBKIRFQOACY-UNMCSNQZSA-N 1 3 393.535 2.804 20 0 GFADHO C[NH+](C)CCOCCNCc1cc(Br)cc(Br)c1 ZINC000394516801 563530085 /nfs/dbraw/zinc/53/00/85/563530085.db2.gz FCFVWKWXQRGZFY-UHFFFAOYSA-N 1 3 380.124 2.879 20 0 GFADHO O[C@H](COc1ccc(Br)cc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047970425 551155360 /nfs/dbraw/zinc/15/53/60/551155360.db2.gz JMSUKXJODCFKJD-SFHVURJKSA-N 1 3 397.357 2.997 20 0 GFADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124700602 551316799 /nfs/dbraw/zinc/31/67/99/551316799.db2.gz CNGWPPBLDQBTTG-INIZCTEOSA-N 1 3 398.393 2.574 20 0 GFADHO C[C@H](NCc1cccs1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000156538652 551524706 /nfs/dbraw/zinc/52/47/06/551524706.db2.gz DJZCALRDUCOYQF-HNNXBMFYSA-N 1 3 381.567 2.829 20 0 GFADHO CCC[NH2+]CCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418472639 563217844 /nfs/dbraw/zinc/21/78/44/563217844.db2.gz MKTYZUQTXKAVDH-UHFFFAOYSA-N 1 3 385.350 2.522 20 0 GFADHO CCOC(=O)C1([C@H](C)NCc2cc(Br)ccc2F)CC[NH2+]CC1 ZINC000422815957 563349656 /nfs/dbraw/zinc/34/96/56/563349656.db2.gz YUOVGOWHHWTQJJ-LBPRGKRZSA-N 1 3 387.293 2.999 20 0 GFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCC(=O)N(C)Cc1ccccc1Br ZINC000422903327 563350160 /nfs/dbraw/zinc/35/01/60/563350160.db2.gz FKTABZONPIYRQM-WMLDXEAASA-N 1 3 382.346 2.775 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000414695416 563750136 /nfs/dbraw/zinc/75/01/36/563750136.db2.gz AOFNMNTWZFYMAR-AWEZNQCLSA-N 1 3 380.330 2.615 20 0 GFADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCC[C@H]2c2cc(F)cc(Br)c2)C1 ZINC000414753345 563751793 /nfs/dbraw/zinc/75/17/93/563751793.db2.gz MAIIGZZKJMSBHZ-GUYCJALGSA-N 1 3 398.320 2.922 20 0 GFADHO CS[C@@H]1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@H]1N(C)C ZINC000415948944 563801391 /nfs/dbraw/zinc/80/13/91/563801391.db2.gz FDEINCNFJZFVTM-ZIAGYGMSSA-N 1 3 376.448 2.673 20 0 GFADHO CO[C@@H](C[NH3+])CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000564935199 564258047 /nfs/dbraw/zinc/25/80/47/564258047.db2.gz QIIWJTFUURBILP-OAHLLOKOSA-N 1 3 388.339 2.782 20 0 GFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000517733086 564541143 /nfs/dbraw/zinc/54/11/43/564541143.db2.gz WVBYCYJNEMHOJY-WBVHZDCISA-N 1 3 385.346 2.899 20 0 GFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000556076281 564812153 /nfs/dbraw/zinc/81/21/53/564812153.db2.gz LWZQTFAFDWHKHQ-YPMHNXCESA-N 1 3 386.359 2.675 20 0 GFADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000582839731 564864267 /nfs/dbraw/zinc/86/42/67/564864267.db2.gz JCCZHAPRWHWIMD-ZACQAIPSSA-N 1 3 380.330 2.689 20 0 GFADHO CN1CCC(O)(C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000638682106 565206638 /nfs/dbraw/zinc/20/66/38/565206638.db2.gz QKYGCMOGZQCURH-ZWKOTPCHSA-N 1 3 396.373 2.631 20 0 GFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698239 565382012 /nfs/dbraw/zinc/38/20/12/565382012.db2.gz JWVWXRHINOQBKA-XJKSGUPXSA-N 1 3 375.460 2.618 20 0 GFADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698230 565382502 /nfs/dbraw/zinc/38/25/02/565382502.db2.gz JWVWXRHINOQBKA-CJNGLKHVSA-N 1 3 375.460 2.618 20 0 GFADHO C[NH2+]CCCC(=O)N1CCC(NCc2sc(C)cc2Br)CC1 ZINC000663507182 565424006 /nfs/dbraw/zinc/42/40/06/565424006.db2.gz ZPVDQMRISNUWSG-UHFFFAOYSA-N 1 3 388.375 2.899 20 0 GFADHO CN(C)CCN(C)CCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000623087376 565495554 /nfs/dbraw/zinc/49/55/54/565495554.db2.gz OHQAUPDDLKZKML-UHFFFAOYSA-N 1 3 379.346 2.970 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccccc1Br ZINC000665637269 565506423 /nfs/dbraw/zinc/50/64/23/565506423.db2.gz ZPILEALPXATBPY-HNNXBMFYSA-N 1 3 399.377 2.863 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccccc1Br ZINC000665637269 565506425 /nfs/dbraw/zinc/50/64/25/565506425.db2.gz ZPILEALPXATBPY-HNNXBMFYSA-N 1 3 399.377 2.863 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000648272264 565699544 /nfs/dbraw/zinc/69/95/44/565699544.db2.gz XZGNDOQQFVAPIO-UHFFFAOYSA-N 1 3 399.308 2.635 20 0 GFADHO C[NH2+]CCOCCN(C)Cc1ccc(Br)c(Br)c1 ZINC000629654338 565865286 /nfs/dbraw/zinc/86/52/86/565865286.db2.gz PLNZYGYCNKSLOP-UHFFFAOYSA-N 1 3 380.124 2.879 20 0 GFADHO Brc1cnccc1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000631056932 565936930 /nfs/dbraw/zinc/93/69/30/565936930.db2.gz PHAAMWWYZUZAGK-UHFFFAOYSA-N 1 3 390.329 2.541 20 0 GFADHO COc1cc(CNCCN2CCC([NH+](C)C)CC2)c(F)cc1Br ZINC000631084046 565940022 /nfs/dbraw/zinc/94/00/22/565940022.db2.gz QOPJOABWWCILMF-UHFFFAOYSA-N 1 3 388.325 2.712 20 0 GFADHO CN1CCC(O)(C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679341878 566038531 /nfs/dbraw/zinc/03/85/31/566038531.db2.gz YUKXXSUHSYOFPP-IRXDYDNUSA-N 1 3 383.330 2.716 20 0 GFADHO CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000736453982 598899036 /nfs/dbraw/zinc/89/90/36/598899036.db2.gz VRVILBDKUHMGDF-UHFFFAOYSA-N 1 3 399.543 2.639 20 0 GFADHO CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000736453982 598899037 /nfs/dbraw/zinc/89/90/37/598899037.db2.gz VRVILBDKUHMGDF-UHFFFAOYSA-N 1 3 399.543 2.639 20 0 GFADHO CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000736453982 598899040 /nfs/dbraw/zinc/89/90/40/598899040.db2.gz VRVILBDKUHMGDF-UHFFFAOYSA-N 1 3 399.543 2.639 20 0 GFADHO CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000736453982 598899041 /nfs/dbraw/zinc/89/90/41/598899041.db2.gz VRVILBDKUHMGDF-UHFFFAOYSA-N 1 3 399.543 2.639 20 0 GFADHO c1cc(-c2nn[n-]n2)ccc1OCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826514042 607750740 /nfs/dbraw/zinc/75/07/40/607750740.db2.gz FMDCTVIJNVGRIG-UHFFFAOYSA-N 1 3 384.528 2.834 20 0 GFADHO C[C@H]1C[C@@H](NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@@H+]1C ZINC000127072053 654824028 /nfs/dbraw/zinc/82/40/28/654824028.db2.gz JXDNFXDGDNROFQ-HOTGVXAUSA-N 1 3 385.599 2.538 20 0 GFADHO C[C@H]1C[C@@H](NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@H+]1C ZINC000127072053 654824029 /nfs/dbraw/zinc/82/40/29/654824029.db2.gz JXDNFXDGDNROFQ-HOTGVXAUSA-N 1 3 385.599 2.538 20 0 GFADHO C[C@H](N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC000873270857 662804820 /nfs/dbraw/zinc/80/48/20/662804820.db2.gz BQBOXNWMCYWWCJ-NHYWBVRUSA-N 1 3 387.343 2.645 20 0 GFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@@H](O)c3cccc(Br)c3)C2)C1 ZINC000923389749 664629406 /nfs/dbraw/zinc/62/94/06/664629406.db2.gz WEPKYGMBWTXNPI-DDBAPUKQSA-N 1 3 383.330 2.701 20 0 GFADHO Fc1cccc(CN2CC[C@]23CCCN(c2ccc(N4CC[NH2+]CC4)cn2)C3)c1 ZINC001164997176 722205772 /nfs/dbraw/zinc/20/57/72/722205772.db2.gz WRIAMQYMNGHMKW-QHCPKHFHSA-N 1 3 395.526 2.875 20 0 GFADHO C[C@@H](Cn1cc(Br)cn1)NCc1cccc(OCC[NH+](C)C)c1 ZINC000162565444 551609873 /nfs/dbraw/zinc/60/98/73/551609873.db2.gz TXCXAJNDHHUJKO-AWEZNQCLSA-N 1 3 381.318 2.764 20 0 GFADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000168918564 551634584 /nfs/dbraw/zinc/63/45/84/551634584.db2.gz QVOTVZAIWIWDDL-GOSISDBHSA-N 1 3 383.989 2.857 20 0 GFADHO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CNCCCO1 ZINC000423496385 563361155 /nfs/dbraw/zinc/36/11/55/563361155.db2.gz WTEZBKUIYMIFKI-CJNGLKHVSA-N 1 3 388.293 2.580 20 0 GFADHO C[C@H](CCc1ccc(I)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000423496385 563361160 /nfs/dbraw/zinc/36/11/60/563361160.db2.gz WTEZBKUIYMIFKI-CJNGLKHVSA-N 1 3 388.293 2.580 20 0 GFADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000370573190 563248868 /nfs/dbraw/zinc/24/88/68/563248868.db2.gz AJNDGYMTLKMKAL-MRXNPFEDSA-N 1 3 385.599 2.755 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422906804 563350472 /nfs/dbraw/zinc/35/04/72/563350472.db2.gz KKVSCRCJXXRDOW-RHSMWYFYSA-N 1 3 382.346 2.905 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422906804 563350476 /nfs/dbraw/zinc/35/04/76/563350476.db2.gz KKVSCRCJXXRDOW-RHSMWYFYSA-N 1 3 382.346 2.905 20 0 GFADHO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCCCN1 ZINC000422907475 563350917 /nfs/dbraw/zinc/35/09/17/563350917.db2.gz LHOLEKLGMHEAKB-YOEHRIQHSA-N 1 3 382.346 2.918 20 0 GFADHO CCOC(=O)C1([C@H](C)NCc2cc(F)ccc2Br)CC[NH2+]CC1 ZINC000422945766 563351411 /nfs/dbraw/zinc/35/14/11/563351411.db2.gz NUHFEAMQNIKIHD-LBPRGKRZSA-N 1 3 387.293 2.999 20 0 GFADHO FC(F)(F)[C@@H](CN[C@H]1CCc2c1cccc2Br)N1CC[NH2+]CC1 ZINC000423387007 563360554 /nfs/dbraw/zinc/36/05/54/563360554.db2.gz LVSYKGLWXTUDGJ-LSDHHAIUSA-N 1 3 392.263 2.862 20 0 GFADHO Brc1cccc([C@@H]([NH2+]C[C@H]2CNCCCO2)C2CCOCC2)c1 ZINC000423489201 563361242 /nfs/dbraw/zinc/36/12/42/563361242.db2.gz FOQRAWICUCPNNE-MSOLQXFVSA-N 1 3 383.330 2.885 20 0 GFADHO C[C@H](C[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739669 563751687 /nfs/dbraw/zinc/75/16/87/563751687.db2.gz JDDWAUFMPMFTNV-KGLIPLIRSA-N 1 3 388.339 2.890 20 0 GFADHO C[C@H](C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739669 563751689 /nfs/dbraw/zinc/75/16/89/563751689.db2.gz JDDWAUFMPMFTNV-KGLIPLIRSA-N 1 3 388.339 2.890 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCNC[C@H]2C)CC1 ZINC000414940807 563755234 /nfs/dbraw/zinc/75/52/34/563755234.db2.gz KLYPZAPAFHADOH-RDTXWAMCSA-N 1 3 394.357 2.950 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[NH2+]CC2(c3ccc(Br)cc3)CCC2)C1 ZINC000415082467 563758447 /nfs/dbraw/zinc/75/84/47/563758447.db2.gz OKVXCNMMZLUYHZ-HNNXBMFYSA-N 1 3 394.357 2.658 20 0 GFADHO O=S1(=O)CC[C@H](NCCC2=CC[NH2+]CC2)c2cc(Br)ccc21 ZINC000566092094 564308367 /nfs/dbraw/zinc/30/83/67/564308367.db2.gz CWRWLLBJPGNNSU-HNNXBMFYSA-N 1 3 385.327 2.567 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000514666235 564452375 /nfs/dbraw/zinc/45/23/75/564452375.db2.gz XRTDDCXAMOODLE-DOTOQJQBSA-N 1 3 387.355 2.984 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Br)c(Cl)c1F ZINC000582585293 564853168 /nfs/dbraw/zinc/85/31/68/564853168.db2.gz VKZRJVPOPFBVIY-UHFFFAOYSA-N 1 3 394.716 2.807 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000530881351 564896756 /nfs/dbraw/zinc/89/67/56/564896756.db2.gz WVLOMUFKFFALDI-UHFFFAOYSA-N 1 3 399.308 2.635 20 0 GFADHO Cc1cc(Br)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000617502467 565242786 /nfs/dbraw/zinc/24/27/86/565242786.db2.gz QCPMAGVLCPOQTC-NSHDSACASA-N 1 3 376.364 2.821 20 0 GFADHO Cc1cc(Br)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000617502467 565242792 /nfs/dbraw/zinc/24/27/92/565242792.db2.gz QCPMAGVLCPOQTC-NSHDSACASA-N 1 3 376.364 2.821 20 0 GFADHO Brc1cccc(OC2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662280355 565357405 /nfs/dbraw/zinc/35/74/05/565357405.db2.gz OLELMOQSKSCONB-KRWDZBQOSA-N 1 3 381.314 2.813 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000663497356 565422630 /nfs/dbraw/zinc/42/26/30/565422630.db2.gz FPLSPPJNEQDTOI-UHFFFAOYSA-N 1 3 392.341 2.704 20 0 GFADHO C[C@H]([NH2+]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000671766687 565785504 /nfs/dbraw/zinc/78/55/04/565785504.db2.gz TWUVEDOBXBNAJY-LBPRGKRZSA-N 1 3 394.368 2.592 20 0 GFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ncc(Br)cc1F ZINC000635011218 566188648 /nfs/dbraw/zinc/18/86/48/566188648.db2.gz YHRPGRGLPKKBBE-NSHDSACASA-N 1 3 380.265 2.961 20 0 GFADHO COc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1-c1nnn[n-]1 ZINC000826193717 607750593 /nfs/dbraw/zinc/75/05/93/607750593.db2.gz MSDWJZNMDGKXHJ-UHFFFAOYSA-N 1 3 384.528 2.963 20 0 GFADHO COc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1-c1nn[n-]n1 ZINC000826193717 607750594 /nfs/dbraw/zinc/75/05/94/607750594.db2.gz MSDWJZNMDGKXHJ-UHFFFAOYSA-N 1 3 384.528 2.963 20 0 GFADHO O[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000819063010 660245254 /nfs/dbraw/zinc/24/52/54/660245254.db2.gz VMXXXJUQZOQAEV-QAPCUYQASA-N 1 3 383.330 2.716 20 0 GFADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Br)n1 ZINC000822029867 660338875 /nfs/dbraw/zinc/33/88/75/660338875.db2.gz LZHCXBIUYURBBN-ZDUSSCGKSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Br)n1 ZINC000822029867 660338877 /nfs/dbraw/zinc/33/88/77/660338877.db2.gz LZHCXBIUYURBBN-ZDUSSCGKSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc1Br ZINC000823287712 660367541 /nfs/dbraw/zinc/36/75/41/660367541.db2.gz QDFTXPREJNOMES-ZDUSSCGKSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc1Br ZINC000823287712 660367543 /nfs/dbraw/zinc/36/75/43/660367543.db2.gz QDFTXPREJNOMES-ZDUSSCGKSA-N 1 3 386.338 2.546 20 0 GFADHO CN1CCC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@@H]1c1cccc(Cl)c1 ZINC000133894672 654976717 /nfs/dbraw/zinc/97/67/17/654976717.db2.gz FJHYBRKQSYULOE-SUMDDJOVSA-N 1 3 381.973 2.934 20 0 GFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(Br)c1 ZINC000849098177 661691869 /nfs/dbraw/zinc/69/18/69/661691869.db2.gz FZQQOJDHJPVXSK-DZGCQCFKSA-N 1 3 383.334 2.815 20 0 GFADHO CC(C)(O)C[NH+]1CCC(N[C@H]2COc3cccc(Br)c3C2)CC1 ZINC000877758514 662882953 /nfs/dbraw/zinc/88/29/53/662882953.db2.gz GKFYSKBKIVRWAM-CQSZACIVSA-N 1 3 383.330 2.578 20 0 GFADHO c1csc([C@@H]2CCN(CCOCC[N@@H+]3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319225 662957943 /nfs/dbraw/zinc/95/79/43/662957943.db2.gz CZVYHLNBGNNMOO-IYBDPMFKSA-N 1 3 378.567 2.895 20 0 GFADHO c1csc([C@@H]2CCN(CCOCC[N@H+]3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319225 662957945 /nfs/dbraw/zinc/95/79/45/662957945.db2.gz CZVYHLNBGNNMOO-IYBDPMFKSA-N 1 3 378.567 2.895 20 0 GFADHO c1csc([C@@H]2CC[N@@H+](CCOCCN3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319225 662957947 /nfs/dbraw/zinc/95/79/47/662957947.db2.gz CZVYHLNBGNNMOO-IYBDPMFKSA-N 1 3 378.567 2.895 20 0 GFADHO c1csc([C@@H]2CC[N@H+](CCOCCN3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319225 662957953 /nfs/dbraw/zinc/95/79/53/662957953.db2.gz CZVYHLNBGNNMOO-IYBDPMFKSA-N 1 3 378.567 2.895 20 0 GFADHO Cn1ncc(I)c1CNCCCCCCC[NH+](C)C ZINC000894207926 663448848 /nfs/dbraw/zinc/44/88/48/663448848.db2.gz BCYABXYSTMVYPH-UHFFFAOYSA-N 1 3 378.302 2.626 20 0 GFADHO Cc1c(C[C@@H](CN)C[NH2+][C@@H](C)Cc2ccc(F)c(Br)c2)cnn1C ZINC000903923479 663811941 /nfs/dbraw/zinc/81/19/41/663811941.db2.gz VEIIPDSJPRGGOV-WFASDCNBSA-N 1 3 397.336 2.968 20 0 GFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cncc(Br)c3)C2)[C@@H]1C(C)C ZINC000922395153 664599391 /nfs/dbraw/zinc/59/93/91/664599391.db2.gz UJHGHYZWIVMYOW-BDXSIMOUSA-N 1 3 382.346 2.804 20 0 GFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cncc(Br)c3)C2)[C@@H]1C(C)C ZINC000922395153 664599395 /nfs/dbraw/zinc/59/93/95/664599395.db2.gz UJHGHYZWIVMYOW-BDXSIMOUSA-N 1 3 382.346 2.804 20 0 GFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1(Br)CC1 ZINC000925440076 664672261 /nfs/dbraw/zinc/67/22/61/664672261.db2.gz YWPAZPAGUZFRIU-OAHLLOKOSA-N 1 3 394.357 2.918 20 0 GFADHO C[C@@H]1C[NH2+]C[C@H]1CCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000925802060 664675044 /nfs/dbraw/zinc/67/50/44/664675044.db2.gz DASBSGXCLRBPBG-JMSVASOKSA-N 1 3 387.343 2.503 20 0 GFADHO C[C@@H](NCC[C@@H]1C[NH2+]C[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000925803563 664675096 /nfs/dbraw/zinc/67/50/96/664675096.db2.gz RCBNVJLWDJLCRS-GMTAPVOTSA-N 1 3 380.341 2.537 20 0 GFADHO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2)CC1 ZINC001164725323 720472281 /nfs/dbraw/zinc/47/22/81/720472281.db2.gz JOYIALITIRMLHC-FGZHOGPDSA-N 1 3 393.535 2.803 20 0 GFADHO c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)cn2)c1 ZINC001164724400 720481205 /nfs/dbraw/zinc/48/12/05/720481205.db2.gz FYTIEVCJXAMKIY-FCHUYYIVSA-N 1 3 393.535 2.708 20 0 GFADHO CN(Cc1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164873532 721158702 /nfs/dbraw/zinc/15/87/02/721158702.db2.gz INHIJPPKBYLYEU-VXKWHMMOSA-N 1 3 393.535 2.551 20 0 GFADHO CN(Cc1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164873532 721158711 /nfs/dbraw/zinc/15/87/11/721158711.db2.gz INHIJPPKBYLYEU-VXKWHMMOSA-N 1 3 393.535 2.551 20 0 GFADHO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(-n5ccnc5)ccn4)CC[N@@H+]3C2)c1 ZINC001164903094 721560814 /nfs/dbraw/zinc/56/08/14/721560814.db2.gz AIECJTZBVNOACL-QUCCMNQESA-N 1 3 379.439 2.748 20 0 GFADHO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(-n5ccnc5)ccn4)CC[N@H+]3C2)c1 ZINC001164903094 721560817 /nfs/dbraw/zinc/56/08/17/721560817.db2.gz AIECJTZBVNOACL-QUCCMNQESA-N 1 3 379.439 2.748 20 0 GFADHO FC1(F)CCN(c2ccc3c(n2)CC[NH2+]C3)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907978 721586822 /nfs/dbraw/zinc/58/68/22/721586822.db2.gz XQLVUNRSFYNWSE-NRFANRHFSA-N 1 3 399.489 2.860 20 0 GFADHO Cc1cc2[nH]ccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164980460 722124286 /nfs/dbraw/zinc/12/42/86/722124286.db2.gz RFBIYJFBUUSJHX-WIYYLYMNSA-N 1 3 377.492 2.994 20 0 GFADHO C[C@H](Cc1ccccc1Br)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000152613064 551436472 /nfs/dbraw/zinc/43/64/72/551436472.db2.gz WYUNTRKZTYKPEL-OAHLLOKOSA-N 1 3 399.377 2.515 20 0 GFADHO CCOC(=O)C1([C@H](C)NCc2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000422770293 563349045 /nfs/dbraw/zinc/34/90/45/563349045.db2.gz VWQXFQVNXFHEED-LBPRGKRZSA-N 1 3 387.293 2.999 20 0 GFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422797354 563349928 /nfs/dbraw/zinc/34/99/28/563349928.db2.gz MEYRYDKGSAVAAX-BNEJOLLZSA-N 1 3 383.330 2.963 20 0 GFADHO CCOC(=O)C1([C@H](C)NCc2ccc(Br)cc2OC)CC[NH2+]CC1 ZINC000423061758 563353650 /nfs/dbraw/zinc/35/36/50/563353650.db2.gz LLYQORQSIUOXDQ-ZDUSSCGKSA-N 1 3 399.329 2.869 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@H]2CCCCC[C@H]2[NH3+])cc1Br ZINC000423154882 563357143 /nfs/dbraw/zinc/35/71/43/563357143.db2.gz KHIIKVSVDWOXDA-UAGQMJEPSA-N 1 3 385.346 2.858 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1Br ZINC000423161995 563357942 /nfs/dbraw/zinc/35/79/42/563357942.db2.gz ONMHRKCPVJMTKV-QRTARXTBSA-N 1 3 385.346 2.586 20 0 GFADHO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCNCC[C@@H]2C)cc1Br ZINC000423161995 563357943 /nfs/dbraw/zinc/35/79/43/563357943.db2.gz ONMHRKCPVJMTKV-QRTARXTBSA-N 1 3 385.346 2.586 20 0 GFADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)s1 ZINC000423391055 563360612 /nfs/dbraw/zinc/36/06/12/563360612.db2.gz PCSLNQVPVDXQCU-ONGXEEELSA-N 1 3 386.281 2.997 20 0 GFADHO CN(C)CCN(Cc1ccsc1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412420295 563657138 /nfs/dbraw/zinc/65/71/38/563657138.db2.gz RPANIGAKUNJLKF-GOSISDBHSA-N 1 3 381.611 2.856 20 0 GFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc2ccc(Br)cn12 ZINC000289687528 563683398 /nfs/dbraw/zinc/68/33/98/563683398.db2.gz FHPGYTSOPHOCHS-UHFFFAOYSA-N 1 3 394.361 2.555 20 0 GFADHO NCC(=O)N1CCC[C@@H](CN2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000414689673 563749978 /nfs/dbraw/zinc/74/99/78/563749978.db2.gz LQSSQVMIAKNMIS-YOEHRIQHSA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000414689673 563749979 /nfs/dbraw/zinc/74/99/79/563749979.db2.gz LQSSQVMIAKNMIS-YOEHRIQHSA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000414689673 563749980 /nfs/dbraw/zinc/74/99/80/563749980.db2.gz LQSSQVMIAKNMIS-YOEHRIQHSA-N 1 3 380.330 2.783 20 0 GFADHO CN1CCC[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H]1c1cccs1 ZINC000416017225 563802284 /nfs/dbraw/zinc/80/22/84/563802284.db2.gz XXDVFPUVLFZAHW-KWCYVHTRSA-N 1 3 378.464 2.710 20 0 GFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]21 ZINC000566562199 564332494 /nfs/dbraw/zinc/33/24/94/564332494.db2.gz OKWKKVIJSBOONJ-BASLNEPJSA-N 1 3 378.314 2.614 20 0 GFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCSCC(F)(F)F)CC2)CC1 ZINC000514796898 564458177 /nfs/dbraw/zinc/45/81/77/564458177.db2.gz NZWHLPKMFMHLHY-UHFFFAOYSA-N 1 3 381.508 2.594 20 0 GFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000486066112 564638023 /nfs/dbraw/zinc/63/80/23/564638023.db2.gz UMRSVJGTJKPCCO-YOEHRIQHSA-N 1 3 382.346 2.537 20 0 GFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000486066112 564638026 /nfs/dbraw/zinc/63/80/26/564638026.db2.gz UMRSVJGTJKPCCO-YOEHRIQHSA-N 1 3 382.346 2.537 20 0 GFADHO COc1cc([C@@H](C)NCC2(SC)CC[NH+](C)CC2)ccc1S(C)(=O)=O ZINC000576990681 564722834 /nfs/dbraw/zinc/72/28/34/564722834.db2.gz PGMSTRAJAUELSH-CQSZACIVSA-N 1 3 386.583 2.577 20 0 GFADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCc1cccc(Cl)c1Cl ZINC000580714890 564770920 /nfs/dbraw/zinc/77/09/20/564770920.db2.gz NFDWNJZJSVDECK-CVEARBPZSA-N 1 3 384.351 2.974 20 0 GFADHO O=C(COc1ccc(Cl)cc1Cl)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000583736462 564905355 /nfs/dbraw/zinc/90/53/55/564905355.db2.gz ZPZBYUFMGNLOGY-UHFFFAOYSA-N 1 3 386.323 2.516 20 0 GFADHO Cc1c(Br)cncc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000657337599 565098595 /nfs/dbraw/zinc/09/85/95/565098595.db2.gz AXISEUYASKLMRP-UHFFFAOYSA-N 1 3 381.362 2.801 20 0 GFADHO CN1CCC(N(Cc2ccccc2Br)C(=O)NC/C=C/C[NH3+])CC1 ZINC000641862316 565401139 /nfs/dbraw/zinc/40/11/39/565401139.db2.gz MDMOWQLZPMQFIJ-SNAWJCMRSA-N 1 3 395.345 2.570 20 0 GFADHO C[NH2+]CCCC(=O)N1CCC(NCc2csc(-c3ccsc3)n2)CC1 ZINC000663503996 565423847 /nfs/dbraw/zinc/42/38/47/565423847.db2.gz PGRNQLHDOIHPFI-UHFFFAOYSA-N 1 3 378.567 2.952 20 0 GFADHO Brc1cccc2c1C[C@@H]1[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)[C@H]21 ZINC000635003218 566188634 /nfs/dbraw/zinc/18/86/34/566188634.db2.gz HCWWWVTWEVVBPI-NIWCSRKUSA-N 1 3 377.326 2.834 20 0 GFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1Br ZINC000819175489 660248867 /nfs/dbraw/zinc/24/88/67/660248867.db2.gz YNKIBJGLAHCTSQ-GUDVDZBRSA-N 1 3 397.357 2.840 20 0 GFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)cc2)CC1 ZINC000775377422 656633597 /nfs/dbraw/zinc/63/35/97/656633597.db2.gz WYYSKUOSHPTOKS-AABGKKOBSA-N 1 3 377.623 2.903 20 0 GFADHO CN1CCC(O)(C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872038190 662754456 /nfs/dbraw/zinc/75/44/56/662754456.db2.gz LFSNAEHEQLAODD-WBVHZDCISA-N 1 3 383.330 2.573 20 0 GFADHO Cc1c(C[C@H](CN)C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)cnn1C ZINC000903936327 663812796 /nfs/dbraw/zinc/81/27/96/663812796.db2.gz ZGIYFZBQLGXCGE-YJQAKTFBSA-N 1 3 389.341 2.536 20 0 GFADHO Cc1c(C[C@H](C[NH3+])CN[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)cnn1C ZINC000903936327 663812798 /nfs/dbraw/zinc/81/27/98/663812798.db2.gz ZGIYFZBQLGXCGE-YJQAKTFBSA-N 1 3 389.341 2.536 20 0 GFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@H](O)c3cccc(Br)c3)C2)C1 ZINC000923389747 664629403 /nfs/dbraw/zinc/62/94/03/664629403.db2.gz WEPKYGMBWTXNPI-BGTYHANMSA-N 1 3 383.330 2.701 20 0 GFADHO C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000925802063 664675034 /nfs/dbraw/zinc/67/50/34/664675034.db2.gz DASBSGXCLRBPBG-LALPHHSUSA-N 1 3 387.343 2.503 20 0 GFADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)c(Br)c1 ZINC000925850821 664675900 /nfs/dbraw/zinc/67/59/00/664675900.db2.gz BRMVYWLFELXJIJ-DGCLKSJQSA-N 1 3 385.277 2.924 20 0 GFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3c1CCNC3)C2 ZINC001164820210 720155594 /nfs/dbraw/zinc/15/55/94/720155594.db2.gz ZSYSUMONQMSZJF-IIBYNOLFSA-N 1 3 390.959 2.565 20 0 GFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3c1CCNC3)C2 ZINC001164820210 720155600 /nfs/dbraw/zinc/15/56/00/720155600.db2.gz ZSYSUMONQMSZJF-IIBYNOLFSA-N 1 3 390.959 2.565 20 0 GFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164817515 720179659 /nfs/dbraw/zinc/17/96/59/720179659.db2.gz PQOQBJAGGSKSDO-OFNKIYASSA-N 1 3 384.568 2.861 20 0 GFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164817515 720179666 /nfs/dbraw/zinc/17/96/66/720179666.db2.gz PQOQBJAGGSKSDO-OFNKIYASSA-N 1 3 384.568 2.861 20 0 GFADHO CCN1CC[NH+](CCCCN[C@@H](C)c2ncc(Br)s2)CC1 ZINC000179203918 552186840 /nfs/dbraw/zinc/18/68/40/552186840.db2.gz VRBZFMMNFZCGPY-ZDUSSCGKSA-N 1 3 375.380 2.974 20 0 GFADHO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC2CCC(C1)[N@@H+]2C ZINC000248908919 553137163 /nfs/dbraw/zinc/13/71/63/553137163.db2.gz XMJNHWUKUQXCDU-MNOVXSKESA-N 1 3 386.279 2.636 20 0 GFADHO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC2CCC(C1)[N@H+]2C ZINC000248908919 553137164 /nfs/dbraw/zinc/13/71/64/553137164.db2.gz XMJNHWUKUQXCDU-MNOVXSKESA-N 1 3 386.279 2.636 20 0 GFADHO Brc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422700644 563348550 /nfs/dbraw/zinc/34/85/50/563348550.db2.gz ANABCTZMIQJLIO-GDAAHCPNSA-N 1 3 394.357 2.775 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@@H]2CCCCC[C@H]2[NH3+])cc1Br ZINC000423154884 563356901 /nfs/dbraw/zinc/35/69/01/563356901.db2.gz KHIIKVSVDWOXDA-USXIJHARSA-N 1 3 385.346 2.858 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@H]2CC[NH2+]CC[C@H]2C)cc1Br ZINC000423161994 563357894 /nfs/dbraw/zinc/35/78/94/563357894.db2.gz ONMHRKCPVJMTKV-KMFMINBZSA-N 1 3 385.346 2.586 20 0 GFADHO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCNCC[C@H]2C)cc1Br ZINC000423161994 563357895 /nfs/dbraw/zinc/35/78/95/563357895.db2.gz ONMHRKCPVJMTKV-KMFMINBZSA-N 1 3 385.346 2.586 20 0 GFADHO [NH3+][C@@H]1CCC[C@H](CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000423481930 563361006 /nfs/dbraw/zinc/36/10/06/563361006.db2.gz XDEWBAKHQBGRCW-LNSITVRQSA-N 1 3 387.343 2.775 20 0 GFADHO OC1(CNCc2ccc(Br)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000397645530 563532429 /nfs/dbraw/zinc/53/24/29/563532429.db2.gz VAFFXRUJHUOAOC-UHFFFAOYSA-N 1 3 390.325 2.961 20 0 GFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000514680573 564453273 /nfs/dbraw/zinc/45/32/73/564453273.db2.gz AZQVPAKERKFJAX-QGZVFWFLSA-N 1 3 380.374 2.922 20 0 GFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000572393431 564593001 /nfs/dbraw/zinc/59/30/01/564593001.db2.gz JTDCDEVTUIWHSX-XJKSGUPXSA-N 1 3 389.309 2.649 20 0 GFADHO CN1CCN(CCCC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000572665063 564604664 /nfs/dbraw/zinc/60/46/64/564604664.db2.gz DBYBLNGZGGBTKD-KRWDZBQOSA-N 1 3 380.374 2.924 20 0 GFADHO CN(CCCN(C)Cc1nc2cc(Br)ccc2o1)CC[NH+](C)C ZINC000554744241 564772633 /nfs/dbraw/zinc/77/26/33/564772633.db2.gz WOPZPGLXTNLRSS-UHFFFAOYSA-N 1 3 383.334 2.906 20 0 GFADHO Cc1[nH+]c2ccc(Br)cc2c(NC[C@@H]2CN(C)CCN2C)c1C ZINC000462839163 564859672 /nfs/dbraw/zinc/85/96/72/564859672.db2.gz UJOPWHNCJDWKOG-OAHLLOKOSA-N 1 3 377.330 2.694 20 0 GFADHO CC(C)(O)C[NH+]1CCC(NC[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000638425689 565197155 /nfs/dbraw/zinc/19/71/55/565197155.db2.gz HBKZVJUTZSLIPO-CQSZACIVSA-N 1 3 391.339 2.558 20 0 GFADHO CN1CCC(N(Cc2ccccc2Br)C(=O)NC/C=C\C[NH3+])CC1 ZINC000641862314 565401162 /nfs/dbraw/zinc/40/11/62/565401162.db2.gz MDMOWQLZPMQFIJ-PLNGDYQASA-N 1 3 395.345 2.570 20 0 GFADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466025 565423314 /nfs/dbraw/zinc/42/33/14/565423314.db2.gz NDBNINFGEIDZME-ZBFHGGJFSA-N 1 3 382.346 2.711 20 0 GFADHO C[NH2+]CCCC(=O)N1CCC(NCc2ccc(Br)cc2OC)CC1 ZINC000663503488 565424270 /nfs/dbraw/zinc/42/42/70/565424270.db2.gz JOFHVZUORVWTBH-UHFFFAOYSA-N 1 3 398.345 2.538 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)c(F)c1F ZINC000628050469 565771360 /nfs/dbraw/zinc/77/13/60/565771360.db2.gz FAPORXCPWPSFMT-NSHDSACASA-N 1 3 392.288 2.729 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)c(F)c1F ZINC000628050469 565771364 /nfs/dbraw/zinc/77/13/64/565771364.db2.gz FAPORXCPWPSFMT-NSHDSACASA-N 1 3 392.288 2.729 20 0 GFADHO COc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1-c1nnn[n-]1 ZINC000821808614 599422492 /nfs/dbraw/zinc/42/24/92/599422492.db2.gz JLMPWYUXHPUTJN-UHFFFAOYSA-N 1 3 398.536 2.939 20 0 GFADHO COc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1-c1nn[n-]n1 ZINC000821808614 599422494 /nfs/dbraw/zinc/42/24/94/599422494.db2.gz JLMPWYUXHPUTJN-UHFFFAOYSA-N 1 3 398.536 2.939 20 0 GFADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000819083593 660245817 /nfs/dbraw/zinc/24/58/17/660245817.db2.gz BRKYWWWJVAQOBL-KSSFIOAISA-N 1 3 383.330 2.573 20 0 GFADHO Cc1cnc(Br)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000823491896 660373481 /nfs/dbraw/zinc/37/34/81/660373481.db2.gz ODFLAUYQYUEUBK-ZDUSSCGKSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1cnc(Br)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000823491896 660373482 /nfs/dbraw/zinc/37/34/82/660373482.db2.gz ODFLAUYQYUEUBK-ZDUSSCGKSA-N 1 3 386.338 2.546 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cccc(Br)c3)CC2)CC1 ZINC000125336629 654791434 /nfs/dbraw/zinc/79/14/34/654791434.db2.gz FVSCOWDUTOLWFP-UHFFFAOYSA-N 1 3 394.357 2.666 20 0 GFADHO COCCC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Br)cc1 ZINC000268881028 654989968 /nfs/dbraw/zinc/98/99/68/654989968.db2.gz XSTSUGZDHZATGR-QZTJIDSGSA-N 1 3 385.346 2.963 20 0 GFADHO CC(C)[NH+]1CCC(O)(CNCc2cc(Br)cc3c2OCC3)CC1 ZINC000274031775 655169766 /nfs/dbraw/zinc/16/97/66/655169766.db2.gz BFBJHXGGSZOYEX-UHFFFAOYSA-N 1 3 383.330 2.709 20 0 GFADHO C[NH+]1CCC(NC(=O)CN[C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000878644510 662901497 /nfs/dbraw/zinc/90/14/97/662901497.db2.gz XHEVKCUKLVKDHB-GOSISDBHSA-N 1 3 394.357 2.873 20 0 GFADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000903435754 663784715 /nfs/dbraw/zinc/78/47/15/663784715.db2.gz YOUOOHLCGCXPGL-HIFRSBDPSA-N 1 3 380.330 2.955 20 0 GFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924672135 664659352 /nfs/dbraw/zinc/65/93/52/664659352.db2.gz SJJCUUCJOJPYEJ-RHSMWYFYSA-N 1 3 381.362 2.837 20 0 GFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3c1CCNC3)C2 ZINC001164820207 720155245 /nfs/dbraw/zinc/15/52/45/720155245.db2.gz ZSYSUMONQMSZJF-IERDGZPVSA-N 1 3 390.959 2.565 20 0 GFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3c1CCNC3)C2 ZINC001164820207 720155248 /nfs/dbraw/zinc/15/52/48/720155248.db2.gz ZSYSUMONQMSZJF-IERDGZPVSA-N 1 3 390.959 2.565 20 0 GFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164817513 720178902 /nfs/dbraw/zinc/17/89/02/720178902.db2.gz PQOQBJAGGSKSDO-NZQKXSOJSA-N 1 3 384.568 2.861 20 0 GFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164817513 720178912 /nfs/dbraw/zinc/17/89/12/720178912.db2.gz PQOQBJAGGSKSDO-NZQKXSOJSA-N 1 3 384.568 2.861 20 0 GFADHO c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001164726341 720421381 /nfs/dbraw/zinc/42/13/81/720421381.db2.gz BNKMXEGDBXZXRE-NHCUHLMSSA-N 1 3 393.535 2.804 20 0 GFADHO Cc1cc2[nH]ccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164980454 722124546 /nfs/dbraw/zinc/12/45/46/722124546.db2.gz RFBIYJFBUUSJHX-GHTZIAJQSA-N 1 3 377.492 2.994 20 0 GFADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccccc1Br ZINC000168962023 551634975 /nfs/dbraw/zinc/63/49/75/551634975.db2.gz ZXWVWZMSFMRLDA-LJQANCHMSA-N 1 3 398.389 2.880 20 0 GFADHO C[C@@H](NCC1CC[NH+](CCN(C)C)CC1)c1ncc(Br)s1 ZINC000179225466 552187880 /nfs/dbraw/zinc/18/78/80/552187880.db2.gz KMMKHEHALMYBMI-GFCCVEGCSA-N 1 3 375.380 2.830 20 0 GFADHO C[C@H](NCCC(C)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000297241221 563320845 /nfs/dbraw/zinc/32/08/45/563320845.db2.gz INGKHTGLQVQETO-AWEZNQCLSA-N 1 3 377.501 2.613 20 0 GFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCC(=O)N(C)Cc1ccccc1Br ZINC000422903328 563350567 /nfs/dbraw/zinc/35/05/67/563350567.db2.gz FKTABZONPIYRQM-YOEHRIQHSA-N 1 3 382.346 2.775 20 0 GFADHO CCOC(=O)C1([C@H](C)NCc2cc(Br)ccc2OC)CC[NH2+]CC1 ZINC000422951167 563351241 /nfs/dbraw/zinc/35/12/41/563351241.db2.gz ZREBNKUFVREVKB-ZDUSSCGKSA-N 1 3 399.329 2.869 20 0 GFADHO COC[C@@H](CCC[NH3+])N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423094714 563354711 /nfs/dbraw/zinc/35/47/11/563354711.db2.gz KPDMETVFBQHAGK-BXUZGUMPSA-N 1 3 399.251 2.845 20 0 GFADHO CC[NH+]1CCC(NC(=O)CNC(C)(C)c2ccc(Br)cc2)CC1 ZINC000411333372 563615376 /nfs/dbraw/zinc/61/53/76/563615376.db2.gz AIYJYHZELKSAQV-UHFFFAOYSA-N 1 3 382.346 2.874 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000414676044 563750162 /nfs/dbraw/zinc/75/01/62/563750162.db2.gz HCZFKPBIFZINBX-IFXJQAMLSA-N 1 3 375.563 2.954 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000414676044 563750164 /nfs/dbraw/zinc/75/01/64/563750164.db2.gz HCZFKPBIFZINBX-IFXJQAMLSA-N 1 3 375.563 2.954 20 0 GFADHO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414759386 563752915 /nfs/dbraw/zinc/75/29/15/563752915.db2.gz ODXTYNGIDJTODI-GOEBONIOSA-N 1 3 394.357 2.783 20 0 GFADHO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414759386 563752917 /nfs/dbraw/zinc/75/29/17/563752917.db2.gz ODXTYNGIDJTODI-GOEBONIOSA-N 1 3 394.357 2.783 20 0 GFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1cc(Br)ccc1F ZINC000449600970 564192099 /nfs/dbraw/zinc/19/20/99/564192099.db2.gz QAUGCQZSGCBGEL-JQFCIGGWSA-N 1 3 385.321 2.956 20 0 GFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cc(Br)ccc1F ZINC000449600970 564192100 /nfs/dbraw/zinc/19/21/00/564192100.db2.gz QAUGCQZSGCBGEL-JQFCIGGWSA-N 1 3 385.321 2.956 20 0 GFADHO CC[N@@H+]1CC[C@H](NC[C@@H](CO)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000449680710 564195775 /nfs/dbraw/zinc/19/57/75/564195775.db2.gz KMZYWNODBHKQHV-MPGHIAIKSA-N 1 3 399.373 2.929 20 0 GFADHO CC[N@H+]1CC[C@H](NC[C@@H](CO)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000449680710 564195778 /nfs/dbraw/zinc/19/57/78/564195778.db2.gz KMZYWNODBHKQHV-MPGHIAIKSA-N 1 3 399.373 2.929 20 0 GFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683854 564196069 /nfs/dbraw/zinc/19/60/69/564196069.db2.gz OCSNFWJKCYRKCQ-JYJNAYRXSA-N 1 3 385.321 2.956 20 0 GFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683854 564196071 /nfs/dbraw/zinc/19/60/71/564196071.db2.gz OCSNFWJKCYRKCQ-JYJNAYRXSA-N 1 3 385.321 2.956 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)c(F)cc1Br ZINC000569543761 564468050 /nfs/dbraw/zinc/46/80/50/564468050.db2.gz ZPUBZZJYAYVACX-UHFFFAOYSA-N 1 3 394.716 2.807 20 0 GFADHO CC[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000517554232 564536330 /nfs/dbraw/zinc/53/63/30/564536330.db2.gz VVPCELTVIAGEOT-USXIJHARSA-N 1 3 385.961 2.677 20 0 GFADHO C[C@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000519450738 564577804 /nfs/dbraw/zinc/57/78/04/564577804.db2.gz JEBRMZRUNGMBQU-OAHLLOKOSA-N 1 3 399.377 2.863 20 0 GFADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@H]2CCC[C@H]21 ZINC000552275875 564684196 /nfs/dbraw/zinc/68/41/96/564684196.db2.gz CQLLNIGEPABDRU-HDEZJCGLSA-N 1 3 383.330 2.651 20 0 GFADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2ccccc2Br)[C@H]2CCC[C@H]21 ZINC000552275875 564684202 /nfs/dbraw/zinc/68/42/02/564684202.db2.gz CQLLNIGEPABDRU-HDEZJCGLSA-N 1 3 383.330 2.651 20 0 GFADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2ccccc2Br)[C@H]2CCC[C@H]21 ZINC000552275875 564684206 /nfs/dbraw/zinc/68/42/06/564684206.db2.gz CQLLNIGEPABDRU-HDEZJCGLSA-N 1 3 383.330 2.651 20 0 GFADHO CN(C)C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000638831455 565213948 /nfs/dbraw/zinc/21/39/48/565213948.db2.gz LQCCYIHFRBKJOQ-CABCVRRESA-N 1 3 375.460 2.519 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cscc1Br ZINC000640184817 565285758 /nfs/dbraw/zinc/28/57/58/565285758.db2.gz FUUWACQWXFKMKI-NSHDSACASA-N 1 3 377.352 2.904 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cscc1Br ZINC000640184817 565285761 /nfs/dbraw/zinc/28/57/61/565285761.db2.gz FUUWACQWXFKMKI-NSHDSACASA-N 1 3 377.352 2.904 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(Br)s1 ZINC000663692742 565431190 /nfs/dbraw/zinc/43/11/90/565431190.db2.gz ICDDNTRFVNNAHX-LBPRGKRZSA-N 1 3 391.379 2.582 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(Br)s1 ZINC000663692742 565431194 /nfs/dbraw/zinc/43/11/94/565431194.db2.gz ICDDNTRFVNNAHX-LBPRGKRZSA-N 1 3 391.379 2.582 20 0 GFADHO CC1CC[NH+](C2CCC([NH2+]Cc3cnc4ccc(-c5nnn[n-]5)cn34)CC2)CC1 ZINC000824954866 607753535 /nfs/dbraw/zinc/75/35/35/607753535.db2.gz LMWPQIPXYPLJMV-UHFFFAOYSA-N 1 3 394.527 2.647 20 0 GFADHO CC1CC[NH+](C2CCC([NH2+]Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)CC1 ZINC000824954866 607753536 /nfs/dbraw/zinc/75/35/36/607753536.db2.gz LMWPQIPXYPLJMV-UHFFFAOYSA-N 1 3 394.527 2.647 20 0 GFADHO COc1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826168720 608374407 /nfs/dbraw/zinc/37/44/07/608374407.db2.gz WCUSDWGOZFJYRB-UHFFFAOYSA-N 1 3 384.528 2.963 20 0 GFADHO O[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000819061329 660244912 /nfs/dbraw/zinc/24/49/12/660244912.db2.gz KTDXFSVVISTFJC-ZWKOTPCHSA-N 1 3 383.330 2.716 20 0 GFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269054707 654996289 /nfs/dbraw/zinc/99/62/89/654996289.db2.gz IXAHQNAOIJNYNX-UKRRQHHQSA-N 1 3 378.485 2.690 20 0 GFADHO CCN1CCN([C@@H](C)C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000102422379 655055173 /nfs/dbraw/zinc/05/51/73/655055173.db2.gz XRKCXZJXJSGACA-HNNXBMFYSA-N 1 3 394.357 2.841 20 0 GFADHO [NH3+]CC[C@H]1CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261943980 655443245 /nfs/dbraw/zinc/44/32/45/655443245.db2.gz NDLAXZDPYJFIIH-OAHLLOKOSA-N 1 3 382.346 2.847 20 0 GFADHO O=C1[C@H](N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000579834966 655504567 /nfs/dbraw/zinc/50/45/67/655504567.db2.gz MYSXTGFXVUWQBB-HDMKZQKVSA-N 1 3 392.341 2.876 20 0 GFADHO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000873274409 662804827 /nfs/dbraw/zinc/80/48/27/662804827.db2.gz DDHLHDOMUNVUFI-BVPSZOQCSA-N 1 3 377.326 2.834 20 0 GFADHO CC(C)[C@@](C)(C[NH3+])NC[C@H](O)COc1ccc(Cl)cc1Br ZINC000923300263 664627883 /nfs/dbraw/zinc/62/78/83/664627883.db2.gz PHXTWBXWJXLYLV-SWLSCSKDSA-N 1 3 379.726 2.805 20 0 GFADHO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Br)n1 ZINC000924624508 664659071 /nfs/dbraw/zinc/65/90/71/664659071.db2.gz CIRHZUMTOIOVBJ-AWEZNQCLSA-N 1 3 390.329 2.842 20 0 GFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1(Br)CC1 ZINC000925440075 664672284 /nfs/dbraw/zinc/67/22/84/664672284.db2.gz YWPAZPAGUZFRIU-HNNXBMFYSA-N 1 3 394.357 2.918 20 0 GFADHO CN1CCC(O)(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000280879812 563359299 /nfs/dbraw/zinc/35/92/99/563359299.db2.gz NDONZNIRVKPXPU-UHFFFAOYSA-N 1 3 397.235 2.894 20 0 GFADHO COc1sc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1Br ZINC000282541090 563415168 /nfs/dbraw/zinc/41/51/68/563415168.db2.gz ZSAJUZMLYIOREE-UHFFFAOYSA-N 1 3 376.364 2.635 20 0 GFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422789668 563350146 /nfs/dbraw/zinc/35/01/46/563350146.db2.gz BKVHAJXOMVAFRG-BNEJOLLZSA-N 1 3 383.330 2.963 20 0 GFADHO CC1=C(Br)CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000373782876 563351351 /nfs/dbraw/zinc/35/13/51/563351351.db2.gz NKOBHGAPUWRNMO-UHFFFAOYSA-N 1 3 399.377 2.629 20 0 GFADHO FC(F)(F)[C@H](CN[C@H]1CCc2ccc(Br)cc21)N1CC[NH2+]CC1 ZINC000423403294 563360185 /nfs/dbraw/zinc/36/01/85/563360185.db2.gz XIIDDSVSHPDGKN-GJZGRUSLSA-N 1 3 392.263 2.862 20 0 GFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425101290 563405309 /nfs/dbraw/zinc/40/53/09/563405309.db2.gz ZLLCGDOKYBAPFP-DZGCQCFKSA-N 1 3 397.361 2.583 20 0 GFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425101290 563405310 /nfs/dbraw/zinc/40/53/10/563405310.db2.gz ZLLCGDOKYBAPFP-DZGCQCFKSA-N 1 3 397.361 2.583 20 0 GFADHO C[C@H](C[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739678 563751439 /nfs/dbraw/zinc/75/14/39/563751439.db2.gz JDDWAUFMPMFTNV-ZIAGYGMSSA-N 1 3 388.339 2.890 20 0 GFADHO C[C@H](C[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739678 563751443 /nfs/dbraw/zinc/75/14/43/563751443.db2.gz JDDWAUFMPMFTNV-ZIAGYGMSSA-N 1 3 388.339 2.890 20 0 GFADHO COCC1(CNCc2cc(OC)c(OC)cc2Br)CC[NH2+]CC1 ZINC000414950302 563755180 /nfs/dbraw/zinc/75/51/80/563755180.db2.gz FBOIGCVGVVIYTP-UHFFFAOYSA-N 1 3 387.318 2.572 20 0 GFADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(I)cc1 ZINC000449227302 563908260 /nfs/dbraw/zinc/90/82/60/563908260.db2.gz ZYXWLDZVJRITOR-OAHLLOKOSA-N 1 3 376.282 2.738 20 0 GFADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000507364668 564226865 /nfs/dbraw/zinc/22/68/65/564226865.db2.gz WQVKJMBWYIRMHH-KRWDZBQOSA-N 1 3 385.346 2.993 20 0 GFADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000507364668 564226869 /nfs/dbraw/zinc/22/68/69/564226869.db2.gz WQVKJMBWYIRMHH-KRWDZBQOSA-N 1 3 385.346 2.993 20 0 GFADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000513698123 564436866 /nfs/dbraw/zinc/43/68/66/564436866.db2.gz WTRZCRYZNJYWOV-IXDOHACOSA-N 1 3 380.330 2.641 20 0 GFADHO C[N@H+]1CC[C@H](NCCNC(=O)c2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000513698123 564436869 /nfs/dbraw/zinc/43/68/69/564436869.db2.gz WTRZCRYZNJYWOV-IXDOHACOSA-N 1 3 380.330 2.641 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC/C=C/c1ccc(Br)cc1 ZINC000516410614 564501770 /nfs/dbraw/zinc/50/17/70/564501770.db2.gz HNWMCXVRGCQBLF-AATRIKPKSA-N 1 3 397.361 2.597 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c(Br)cccc2cn1 ZINC000556127155 564813555 /nfs/dbraw/zinc/81/35/55/564813555.db2.gz UDPGEBFZDKLWPU-UHFFFAOYSA-N 1 3 393.329 2.563 20 0 GFADHO C[NH2+]C[C@@H](C)NC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000659636935 565220969 /nfs/dbraw/zinc/22/09/69/565220969.db2.gz YMZBJBPYNORQHH-CQSZACIVSA-N 1 3 397.361 2.663 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Br)cc1F ZINC000617502316 565243134 /nfs/dbraw/zinc/24/31/34/565243134.db2.gz LJPPWHPZCXXKHT-ZDUSSCGKSA-N 1 3 388.325 2.519 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Br)cc1F ZINC000617502316 565243136 /nfs/dbraw/zinc/24/31/36/565243136.db2.gz LJPPWHPZCXXKHT-ZDUSSCGKSA-N 1 3 388.325 2.519 20 0 GFADHO C[NH2+]CCCC(=O)N1CCC(NCc2ccc(Br)cc2F)CC1 ZINC000663503122 565424332 /nfs/dbraw/zinc/42/43/32/565424332.db2.gz DMGQUILJXBDATO-UHFFFAOYSA-N 1 3 386.309 2.668 20 0 GFADHO O=S1(=O)CC[C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cc(Br)ccc21 ZINC000643549144 565435275 /nfs/dbraw/zinc/43/52/75/565435275.db2.gz JARPTPFRVAYERX-FIRUKDTASA-N 1 3 399.354 2.645 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cc(F)c(Cl)cc1F ZINC000664778644 565479193 /nfs/dbraw/zinc/47/91/93/565479193.db2.gz KIGMWMYHQSZNQT-LBPRGKRZSA-N 1 3 376.879 2.689 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cc(F)c(Cl)cc1F ZINC000664778644 565479197 /nfs/dbraw/zinc/47/91/97/565479197.db2.gz KIGMWMYHQSZNQT-LBPRGKRZSA-N 1 3 376.879 2.689 20 0 GFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000644532055 565479836 /nfs/dbraw/zinc/47/98/36/565479836.db2.gz XCVUKBNMRLYSCH-WBVHZDCISA-N 1 3 385.346 2.899 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(F)cc1Br ZINC000665599175 565505543 /nfs/dbraw/zinc/50/55/43/565505543.db2.gz ZGFWFYHHVHNKBM-LBPRGKRZSA-N 1 3 389.313 2.982 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(F)cc1Br ZINC000665599175 565505550 /nfs/dbraw/zinc/50/55/50/565505550.db2.gz ZGFWFYHHVHNKBM-LBPRGKRZSA-N 1 3 389.313 2.982 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC000666701987 565553947 /nfs/dbraw/zinc/55/39/47/565553947.db2.gz VYOSKBRTANPPFO-WMLDXEAASA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC000666701987 565553950 /nfs/dbraw/zinc/55/39/50/565553950.db2.gz VYOSKBRTANPPFO-WMLDXEAASA-N 1 3 380.330 2.783 20 0 GFADHO CN(C)C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000670133248 565715956 /nfs/dbraw/zinc/71/59/56/565715956.db2.gz CHOUTHXTQVJRID-AEFFLSMTSA-N 1 3 384.977 2.679 20 0 GFADHO O=C(NCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000677237072 565965801 /nfs/dbraw/zinc/96/58/01/565965801.db2.gz AMFIEPLZTPHHJU-IRXDYDNUSA-N 1 3 380.330 2.785 20 0 GFADHO O=C(NCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000677237072 565965807 /nfs/dbraw/zinc/96/58/07/565965807.db2.gz AMFIEPLZTPHHJU-IRXDYDNUSA-N 1 3 380.330 2.785 20 0 GFADHO CN1CCC(O)(C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679341875 566038605 /nfs/dbraw/zinc/03/86/05/566038605.db2.gz YUKXXSUHSYOFPP-DLBZAZTESA-N 1 3 383.330 2.716 20 0 GFADHO Cc1cnc(Br)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000822737677 660353142 /nfs/dbraw/zinc/35/31/42/660353142.db2.gz MVZVKPJHEVHBQA-ZDUSSCGKSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1cnc(Br)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000822737677 660353145 /nfs/dbraw/zinc/35/31/45/660353145.db2.gz MVZVKPJHEVHBQA-ZDUSSCGKSA-N 1 3 386.338 2.546 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000119370772 655301199 /nfs/dbraw/zinc/30/11/99/655301199.db2.gz MXQWZTGRNODPPO-YQQAZPJKSA-N 1 3 387.615 2.639 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000119370772 655301202 /nfs/dbraw/zinc/30/12/02/655301202.db2.gz MXQWZTGRNODPPO-YQQAZPJKSA-N 1 3 387.615 2.639 20 0 GFADHO C[C@H]1C[N@H+](CCCNCCC(=O)Nc2cccc(Br)c2)CCCO1 ZINC000574271554 655427696 /nfs/dbraw/zinc/42/76/96/655427696.db2.gz ZDBRKXGNEUZMRN-HNNXBMFYSA-N 1 3 398.345 2.868 20 0 GFADHO C[C@H]1C[N@@H+](CCCNCCC(=O)Nc2cccc(Br)c2)CCCO1 ZINC000574271554 655427698 /nfs/dbraw/zinc/42/76/98/655427698.db2.gz ZDBRKXGNEUZMRN-HNNXBMFYSA-N 1 3 398.345 2.868 20 0 GFADHO C[NH+]1CCC(N2CC[C@@H](NCc3c(Cl)nc4cc(Cl)ccn43)C2)CC1 ZINC000796307073 658912187 /nfs/dbraw/zinc/91/21/87/658912187.db2.gz ZELIFUQZBFSVCW-CQSZACIVSA-N 1 3 382.339 2.899 20 0 GFADHO C[C@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000843364256 661378908 /nfs/dbraw/zinc/37/89/08/661378908.db2.gz XHUFWQGROOYDOM-AWEZNQCLSA-N 1 3 380.330 2.702 20 0 GFADHO O=S1(=O)CC[C@@H](NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc(Br)ccc21 ZINC000873261927 662804799 /nfs/dbraw/zinc/80/47/99/662804799.db2.gz TZBHBZNAAKKOSD-UZMCECQYSA-N 1 3 399.354 2.788 20 0 GFADHO C[NH+](C)[C@@H](CNC(=O)[C@H](N)c1ccc(Br)cc1)c1ccsc1 ZINC000884188285 663066713 /nfs/dbraw/zinc/06/67/13/663066713.db2.gz CSXWWYKWNIUTEO-LSDHHAIUSA-N 1 3 382.327 2.930 20 0 GFADHO C[NH+](C)[C@@H](CNC(=O)[C@@H](N)c1ccc(Br)cc1)c1ccsc1 ZINC000884188283 663066776 /nfs/dbraw/zinc/06/67/76/663066776.db2.gz CSXWWYKWNIUTEO-GJZGRUSLSA-N 1 3 382.327 2.930 20 0 GFADHO O[C@H](CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000923431478 664630406 /nfs/dbraw/zinc/63/04/06/664630406.db2.gz QJFKEOSPGOQAPF-JTDSTZFVSA-N 1 3 384.351 2.927 20 0 GFADHO Cn1ccc2c1cc[nH+]c2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982363 722107370 /nfs/dbraw/zinc/10/73/70/722107370.db2.gz NZCNGVGWOZPRFT-WIYYLYMNSA-N 1 3 377.492 2.696 20 0 GFADHO c1cncc(CN2CCO[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164985508 722130833 /nfs/dbraw/zinc/13/08/33/722130833.db2.gz ZRJXBKIRFQOACY-RBBKRZOGSA-N 1 3 393.535 2.804 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(Br)c(F)c3)CC2)CC1 ZINC000050797528 551161507 /nfs/dbraw/zinc/16/15/07/551161507.db2.gz LEMZPBUTMGJMSC-UHFFFAOYSA-N 1 3 398.320 2.877 20 0 GFADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(I)cc1 ZINC000153784242 551460713 /nfs/dbraw/zinc/46/07/13/551460713.db2.gz NOEIKIZUMHBOBY-CYBMUJFWSA-N 1 3 376.282 2.910 20 0 GFADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(I)cc1 ZINC000153784242 551460712 /nfs/dbraw/zinc/46/07/12/551460712.db2.gz NOEIKIZUMHBOBY-CYBMUJFWSA-N 1 3 376.282 2.910 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)s1 ZINC000247021955 553117343 /nfs/dbraw/zinc/11/73/43/553117343.db2.gz MXQWZTGRNODPPO-HLLBOEOZSA-N 1 3 387.615 2.639 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)s1 ZINC000247021955 553117344 /nfs/dbraw/zinc/11/73/44/553117344.db2.gz MXQWZTGRNODPPO-HLLBOEOZSA-N 1 3 387.615 2.639 20 0 GFADHO COC[C@H](CCC[NH3+])N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423094717 563354413 /nfs/dbraw/zinc/35/44/13/563354413.db2.gz KPDMETVFBQHAGK-SMDDNHRTSA-N 1 3 399.251 2.845 20 0 GFADHO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCNCC[C@@H]2C)c1 ZINC000422901429 563350059 /nfs/dbraw/zinc/35/00/59/563350059.db2.gz CACHJXGFDACSCF-SUMWQHHRSA-N 1 3 398.345 2.555 20 0 GFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(Br)cc1N1CCOCC1 ZINC000422989550 563352245 /nfs/dbraw/zinc/35/22/45/563352245.db2.gz LRLIHTVJTKGEGF-WMLDXEAASA-N 1 3 382.346 2.893 20 0 GFADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000423092411 563354563 /nfs/dbraw/zinc/35/45/63/563354563.db2.gz BUNAWZBJINFJTA-OLZOCXBDSA-N 1 3 384.318 2.816 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423196514 563358637 /nfs/dbraw/zinc/35/86/37/563358637.db2.gz ZWTBVSDFOQNNPG-JVPBZIDWSA-N 1 3 396.373 2.755 20 0 GFADHO COc1ccc2c(c1)[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423388604 563360217 /nfs/dbraw/zinc/36/02/17/563360217.db2.gz MZHOWUNGKDZDQO-GOEBONIOSA-N 1 3 375.460 2.658 20 0 GFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425101292 563405363 /nfs/dbraw/zinc/40/53/63/563405363.db2.gz ZLLCGDOKYBAPFP-UKRRQHHQSA-N 1 3 397.361 2.583 20 0 GFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425101292 563405368 /nfs/dbraw/zinc/40/53/68/563405368.db2.gz ZLLCGDOKYBAPFP-UKRRQHHQSA-N 1 3 397.361 2.583 20 0 GFADHO CN1CCC[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)[C@H]1c1cccc(Cl)c1 ZINC000376694174 563450995 /nfs/dbraw/zinc/45/09/95/563450995.db2.gz FJHYBRKQSYULOE-HHXXYDBFSA-N 1 3 381.973 2.934 20 0 GFADHO [NH3+]CCCOC1CCN(CCC(=O)Nc2ccccc2Br)CC1 ZINC000430590279 563546133 /nfs/dbraw/zinc/54/61/33/563546133.db2.gz KHWVWEZMYJFJHD-UHFFFAOYSA-N 1 3 384.318 2.608 20 0 GFADHO Cc1cc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)ccc1Br ZINC000414484626 563744536 /nfs/dbraw/zinc/74/45/36/563744536.db2.gz OHIKTGIBAUGTKI-UHFFFAOYSA-N 1 3 396.373 2.644 20 0 GFADHO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414759389 563752867 /nfs/dbraw/zinc/75/28/67/563752867.db2.gz ODXTYNGIDJTODI-HOCLYGCPSA-N 1 3 394.357 2.783 20 0 GFADHO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414759389 563752869 /nfs/dbraw/zinc/75/28/69/563752869.db2.gz ODXTYNGIDJTODI-HOCLYGCPSA-N 1 3 394.357 2.783 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000414928632 563754432 /nfs/dbraw/zinc/75/44/32/563754432.db2.gz NALRRBWBVTZVTL-FZKQIMNGSA-N 1 3 394.357 2.950 20 0 GFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(I)cc2)CC1 ZINC000449187853 563907825 /nfs/dbraw/zinc/90/78/25/563907825.db2.gz JJCWUZZKFTYBFI-UHFFFAOYSA-N 1 3 388.293 2.616 20 0 GFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)cs1 ZINC000505806211 564191037 /nfs/dbraw/zinc/19/10/37/564191037.db2.gz DKBUXKADAXQVKB-CQSZACIVSA-N 1 3 388.375 2.999 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449681572 564195822 /nfs/dbraw/zinc/19/58/22/564195822.db2.gz MCAGDCGOMRWKSK-JCGIZDLHSA-N 1 3 397.357 2.825 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449681572 564195824 /nfs/dbraw/zinc/19/58/24/564195824.db2.gz MCAGDCGOMRWKSK-JCGIZDLHSA-N 1 3 397.357 2.825 20 0 GFADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(Br)cc2)[C@@H]2CCC[C@@H]21 ZINC000552226032 564682515 /nfs/dbraw/zinc/68/25/15/564682515.db2.gz USVBXYNWXASQNG-ULQDDVLXSA-N 1 3 380.330 2.641 20 0 GFADHO C[N@H+]1CC[C@H](NCCNC(=O)c2ccc(Br)cc2)[C@@H]2CCC[C@@H]21 ZINC000552226032 564682516 /nfs/dbraw/zinc/68/25/16/564682516.db2.gz USVBXYNWXASQNG-ULQDDVLXSA-N 1 3 380.330 2.641 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000525819053 564709530 /nfs/dbraw/zinc/70/95/30/564709530.db2.gz LGOVKMCIFUZQSU-CQSZACIVSA-N 1 3 389.327 2.562 20 0 GFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000556076277 564812421 /nfs/dbraw/zinc/81/24/21/564812421.db2.gz LWZQTFAFDWHKHQ-DGCLKSJQSA-N 1 3 386.359 2.675 20 0 GFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000582296309 564840150 /nfs/dbraw/zinc/84/01/50/564840150.db2.gz DNLFXTHCFIPMFP-BZUAXINKSA-N 1 3 389.309 2.790 20 0 GFADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000582839725 564864289 /nfs/dbraw/zinc/86/42/89/564864289.db2.gz JCCZHAPRWHWIMD-BBWFWOEESA-N 1 3 380.330 2.689 20 0 GFADHO CN(C)CC[N@H+](C)CCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000623087880 565495025 /nfs/dbraw/zinc/49/50/25/565495025.db2.gz MTCWJBGQJYVTHC-UHFFFAOYSA-N 1 3 394.361 2.812 20 0 GFADHO CN(C)CC[N@@H+](C)CCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000623087880 565495031 /nfs/dbraw/zinc/49/50/31/565495031.db2.gz MTCWJBGQJYVTHC-UHFFFAOYSA-N 1 3 394.361 2.812 20 0 GFADHO CN(CCCNCc1nc(-c2ccc(Br)cc2)c[nH]1)CC[NH+](C)C ZINC000623087880 565495035 /nfs/dbraw/zinc/49/50/35/565495035.db2.gz MTCWJBGQJYVTHC-UHFFFAOYSA-N 1 3 394.361 2.812 20 0 GFADHO Cc1ncc(Br)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000667189082 565575706 /nfs/dbraw/zinc/57/57/06/565575706.db2.gz AUAPCVWPGNJAJT-LBPRGKRZSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1ncc(Br)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000667189082 565575707 /nfs/dbraw/zinc/57/57/07/565575707.db2.gz AUAPCVWPGNJAJT-LBPRGKRZSA-N 1 3 386.338 2.546 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccccc3Br)CCC2)C1 ZINC000650704352 565832770 /nfs/dbraw/zinc/83/27/70/565832770.db2.gz VDFLNUKXAJYFSD-AWEZNQCLSA-N 1 3 380.330 2.615 20 0 GFADHO CCCN(C)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655930747 566096430 /nfs/dbraw/zinc/09/64/30/566096430.db2.gz UBARLQKNQWZNEU-KGLIPLIRSA-N 1 3 380.842 2.912 20 0 GFADHO COCCC[NH+]1CCC(NC[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634703407 566170555 /nfs/dbraw/zinc/17/05/55/566170555.db2.gz VQIJMUBKWSZEOJ-KRWDZBQOSA-N 1 3 391.339 2.824 20 0 GFADHO C[NH+]1CCC(C[NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000736848220 598285741 /nfs/dbraw/zinc/28/57/41/598285741.db2.gz KPBKLTHUJWGVMQ-UHFFFAOYSA-N 1 3 392.507 2.877 20 0 GFADHO C[NH+]1CCC(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000736848220 598285742 /nfs/dbraw/zinc/28/57/42/598285742.db2.gz KPBKLTHUJWGVMQ-UHFFFAOYSA-N 1 3 392.507 2.877 20 0 GFADHO C[NH+](C)CCN1CCC(N[C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576072 660201189 /nfs/dbraw/zinc/20/11/89/660201189.db2.gz MVEHOQAZMXQXFP-HNNXBMFYSA-N 1 3 387.391 2.972 20 0 GFADHO O[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000819061328 660245007 /nfs/dbraw/zinc/24/50/07/660245007.db2.gz KTDXFSVVISTFJC-ROUUACIJSA-N 1 3 383.330 2.716 20 0 GFADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000819084759 660246051 /nfs/dbraw/zinc/24/60/51/660246051.db2.gz OONSLQJTQPEHKX-KSSFIOAISA-N 1 3 383.330 2.573 20 0 GFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269054687 654996297 /nfs/dbraw/zinc/99/62/97/654996297.db2.gz IXAHQNAOIJNYNX-DZGCQCFKSA-N 1 3 378.485 2.690 20 0 GFADHO COc1sc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1Br ZINC000289430365 655348994 /nfs/dbraw/zinc/34/89/94/655348994.db2.gz KOLBMKDZZARYFB-UHFFFAOYSA-N 1 3 390.391 2.977 20 0 GFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000840764824 661184990 /nfs/dbraw/zinc/18/49/90/661184990.db2.gz AODZXJVJJJLDPN-WMZOPIPTSA-N 1 3 380.627 2.960 20 0 GFADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000840764824 661185004 /nfs/dbraw/zinc/18/50/04/661185004.db2.gz AODZXJVJJJLDPN-WMZOPIPTSA-N 1 3 380.627 2.960 20 0 GFADHO CN(Cc1cc(Br)cs1)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000843363587 661378579 /nfs/dbraw/zinc/37/85/79/661378579.db2.gz AGJGPQKWDRVFTC-UHFFFAOYSA-N 1 3 386.359 2.545 20 0 GFADHO C[C@@H]1[C@H](COC(=O)C2CCN(c3ccccc3Br)C2=O)CC[N@@H+]1C ZINC000845815375 661498632 /nfs/dbraw/zinc/49/86/32/661498632.db2.gz YYFUBZVJHHAHNM-RDBSUJKOSA-N 1 3 395.297 2.685 20 0 GFADHO C[C@@H]1[C@H](COC(=O)C2CCN(c3ccccc3Br)C2=O)CC[N@H+]1C ZINC000845815375 661498639 /nfs/dbraw/zinc/49/86/39/661498639.db2.gz YYFUBZVJHHAHNM-RDBSUJKOSA-N 1 3 395.297 2.685 20 0 GFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000892574540 663377793 /nfs/dbraw/zinc/37/77/93/663377793.db2.gz LSTYSMOXIBFXQM-AWEZNQCLSA-N 1 3 397.361 2.523 20 0 GFADHO CC[NH+](CC)CCC[C@@H](C)NCc1c(I)cnn1C ZINC000894385836 663459551 /nfs/dbraw/zinc/45/95/51/663459551.db2.gz ZKXWGENOTHIAAE-GFCCVEGCSA-N 1 3 378.302 2.625 20 0 GFADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999498 664665005 /nfs/dbraw/zinc/66/50/05/664665005.db2.gz JDFLXSADWZPBQP-YOEHRIQHSA-N 1 3 394.357 2.790 20 0 GFADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999498 664665008 /nfs/dbraw/zinc/66/50/08/664665008.db2.gz JDFLXSADWZPBQP-YOEHRIQHSA-N 1 3 394.357 2.790 20 0 GFADHO COc1ccc([C@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Br ZINC000925853699 664676090 /nfs/dbraw/zinc/67/60/90/664676090.db2.gz KOTQVCLOLSYVSK-GXTWGEPZSA-N 1 3 397.313 2.794 20 0 GFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164816074 720164467 /nfs/dbraw/zinc/16/44/67/720164467.db2.gz KGLNPPAWRYYBCW-FYYLOGMGSA-N 1 3 384.568 2.862 20 0 GFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164816074 720164471 /nfs/dbraw/zinc/16/44/71/720164471.db2.gz KGLNPPAWRYYBCW-FYYLOGMGSA-N 1 3 384.568 2.862 20 0 GFADHO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(-n5ccnc5)ccn4)CC[N@@H+]3C2)c1 ZINC001164903093 721560638 /nfs/dbraw/zinc/56/06/38/721560638.db2.gz AIECJTZBVNOACL-ICSRJNTNSA-N 1 3 379.439 2.748 20 0 GFADHO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(-n5ccnc5)ccn4)CC[N@H+]3C2)c1 ZINC001164903093 721560642 /nfs/dbraw/zinc/56/06/42/721560642.db2.gz AIECJTZBVNOACL-ICSRJNTNSA-N 1 3 379.439 2.748 20 0 GFADHO C[C@H](NCC1CC[NH+](CCN(C)C)CC1)c1ncc(Br)cc1F ZINC000187164450 552408356 /nfs/dbraw/zinc/40/83/56/552408356.db2.gz NQGSSSMDWPXYHB-ZDUSSCGKSA-N 1 3 387.341 2.907 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418589143 563220790 /nfs/dbraw/zinc/22/07/90/563220790.db2.gz SKNATSCXIJYDJN-DLBZAZTESA-N 1 3 397.361 2.792 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418589147 563220864 /nfs/dbraw/zinc/22/08/64/563220864.db2.gz SKNATSCXIJYDJN-IRXDYDNUSA-N 1 3 397.361 2.792 20 0 GFADHO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000422910508 563350708 /nfs/dbraw/zinc/35/07/08/563350708.db2.gz QVKJDEQIHJMRLQ-DYVFJYSZSA-N 1 3 398.345 2.685 20 0 GFADHO [NH3+][C@@H]1CCC[C@@H](CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000423481932 563361565 /nfs/dbraw/zinc/36/15/65/563361565.db2.gz XDEWBAKHQBGRCW-UXIGCNINSA-N 1 3 387.343 2.775 20 0 GFADHO C[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434676 563506703 /nfs/dbraw/zinc/50/67/03/563506703.db2.gz SZYCSFSBYJXOFV-YEWWUXTCSA-N 1 3 379.551 2.739 20 0 GFADHO C[C@H](NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434676 563506704 /nfs/dbraw/zinc/50/67/04/563506704.db2.gz SZYCSFSBYJXOFV-YEWWUXTCSA-N 1 3 379.551 2.739 20 0 GFADHO CCC[N@@H+](Cc1ccccc1Br)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414736118 563751474 /nfs/dbraw/zinc/75/14/74/563751474.db2.gz CSYQVXXHRSYAFE-OAHLLOKOSA-N 1 3 382.346 2.858 20 0 GFADHO CCC[N@H+](Cc1ccccc1Br)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414736118 563751477 /nfs/dbraw/zinc/75/14/77/563751477.db2.gz CSYQVXXHRSYAFE-OAHLLOKOSA-N 1 3 382.346 2.858 20 0 GFADHO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414751586 563751630 /nfs/dbraw/zinc/75/16/30/563751630.db2.gz SQXLILCKDWSZNC-CYBMUJFWSA-N 1 3 386.309 2.607 20 0 GFADHO CC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414751586 563751631 /nfs/dbraw/zinc/75/16/31/563751631.db2.gz SQXLILCKDWSZNC-CYBMUJFWSA-N 1 3 386.309 2.607 20 0 GFADHO C[C@@H](C[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739667 563751780 /nfs/dbraw/zinc/75/17/80/563751780.db2.gz JDDWAUFMPMFTNV-KBPBESRZSA-N 1 3 388.339 2.890 20 0 GFADHO C[C@@H](C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739667 563751783 /nfs/dbraw/zinc/75/17/83/563751783.db2.gz JDDWAUFMPMFTNV-KBPBESRZSA-N 1 3 388.339 2.890 20 0 GFADHO CC[C@H](Cc1ccccc1Br)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414743969 563752143 /nfs/dbraw/zinc/75/21/43/563752143.db2.gz NUNAJORTWBHELR-NVXWUHKLSA-N 1 3 396.373 2.899 20 0 GFADHO CC[C@H](Cc1ccccc1Br)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414743969 563752146 /nfs/dbraw/zinc/75/21/46/563752146.db2.gz NUNAJORTWBHELR-NVXWUHKLSA-N 1 3 396.373 2.899 20 0 GFADHO C[C@H]1C[N@H+](CCCNC[C@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752938 564609483 /nfs/dbraw/zinc/60/94/83/564609483.db2.gz PAJUVOREHAHMHE-HOCLYGCPSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752938 564609485 /nfs/dbraw/zinc/60/94/85/564609485.db2.gz PAJUVOREHAHMHE-HOCLYGCPSA-N 1 3 391.339 2.824 20 0 GFADHO CCc1sc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1Br ZINC000550721948 564629792 /nfs/dbraw/zinc/62/97/92/564629792.db2.gz TVMSNIXBOLLBHX-UHFFFAOYSA-N 1 3 376.364 2.638 20 0 GFADHO COc1c(Cl)cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000527376217 564741602 /nfs/dbraw/zinc/74/16/02/564741602.db2.gz JYUQYOQRFHJHMG-UHFFFAOYSA-N 1 3 377.316 2.959 20 0 GFADHO CC[NH+]1CCC(NCCC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000462117270 564821305 /nfs/dbraw/zinc/82/13/05/564821305.db2.gz ARXLFCOKNZVGLZ-UHFFFAOYSA-N 1 3 382.346 2.872 20 0 GFADHO CC(C)n1cc(Br)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505665 565242500 /nfs/dbraw/zinc/24/25/00/565242500.db2.gz LZMYOGGACDEETI-AWEZNQCLSA-N 1 3 387.366 2.833 20 0 GFADHO CC(C)n1cc(Br)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505665 565242505 /nfs/dbraw/zinc/24/25/05/565242505.db2.gz LZMYOGGACDEETI-AWEZNQCLSA-N 1 3 387.366 2.833 20 0 GFADHO CN1CCC([N@@H+]2CC[C@@H](NCc3c(F)ccc(Br)c3F)C2)CC1 ZINC000669681979 565698932 /nfs/dbraw/zinc/69/89/32/565698932.db2.gz AALKABUUVSSLAS-GFCCVEGCSA-N 1 3 388.300 2.985 20 0 GFADHO CN1CCC([N@H+]2CC[C@@H](NCc3c(F)ccc(Br)c3F)C2)CC1 ZINC000669681979 565698934 /nfs/dbraw/zinc/69/89/34/565698934.db2.gz AALKABUUVSSLAS-GFCCVEGCSA-N 1 3 388.300 2.985 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCc1cccc(Br)c1 ZINC000607243394 565981244 /nfs/dbraw/zinc/98/12/44/565981244.db2.gz BPNWZIXVNBCXHD-UHFFFAOYSA-N 1 3 399.377 2.517 20 0 GFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000819172938 660248526 /nfs/dbraw/zinc/24/85/26/660248526.db2.gz HRRMIBDAWIUARW-CEXWTWQISA-N 1 3 397.357 2.840 20 0 GFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000819172583 660248577 /nfs/dbraw/zinc/24/85/77/660248577.db2.gz DTGKAVQBQPZEOG-GBESFXJTSA-N 1 3 397.357 2.840 20 0 GFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccccc1Br ZINC000819175490 660248845 /nfs/dbraw/zinc/24/88/45/660248845.db2.gz YNKIBJGLAHCTSQ-IPMKNSEASA-N 1 3 397.357 2.840 20 0 GFADHO Brc1ccoc1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000735322772 655645347 /nfs/dbraw/zinc/64/53/47/655645347.db2.gz LFTQZZWXXNJXQV-UHFFFAOYSA-N 1 3 379.302 2.739 20 0 GFADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1cc(Br)ncc1F ZINC000850500453 661779777 /nfs/dbraw/zinc/77/97/77/661779777.db2.gz GYPJOJRAWBTSTK-QWHCGFSZSA-N 1 3 375.330 2.906 20 0 GFADHO CN1CCC([N@@H+]2CC[C@@H](NCc3nc(Cl)ccc3Br)C2)CC1 ZINC000877028091 662869781 /nfs/dbraw/zinc/86/97/81/662869781.db2.gz XJOLPGZNQOZGDO-GFCCVEGCSA-N 1 3 387.753 2.756 20 0 GFADHO CN1CCC([N@H+]2CC[C@@H](NCc3nc(Cl)ccc3Br)C2)CC1 ZINC000877028091 662869782 /nfs/dbraw/zinc/86/97/82/662869782.db2.gz XJOLPGZNQOZGDO-GFCCVEGCSA-N 1 3 387.753 2.756 20 0 GFADHO O=C(c1ccc(Br)cc1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903903089 663810725 /nfs/dbraw/zinc/81/07/25/663810725.db2.gz FTFUOYZDSJFUPA-DODVFSASSA-N 1 3 392.341 2.738 20 0 GFADHO CCn1c(Br)c(Br)nc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000922222628 664590644 /nfs/dbraw/zinc/59/06/44/664590644.db2.gz BRHKVUGYTNIKEF-AOOOYVTPSA-N 1 3 394.155 2.858 20 0 GFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924672131 664659371 /nfs/dbraw/zinc/65/93/71/664659371.db2.gz SJJCUUCJOJPYEJ-PBHICJAKSA-N 1 3 381.362 2.837 20 0 GFADHO C[C@H](NCCN(C)S(=O)(=O)c1cccs1)c1cccc(C[NH+](C)C)c1 ZINC000925577311 664673284 /nfs/dbraw/zinc/67/32/84/664673284.db2.gz QCZWGVMITVKFOE-HNNXBMFYSA-N 1 3 381.567 2.781 20 0 GFADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4ncccc4CN4CCCC4)CC[N@@H+]3C2)c1 ZINC001164879868 721184699 /nfs/dbraw/zinc/18/46/99/721184699.db2.gz UWFIIYRFECTUEM-YADHBBJMSA-N 1 3 393.535 2.552 20 0 GFADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4ncccc4CN4CCCC4)CC[N@H+]3C2)c1 ZINC001164879868 721184713 /nfs/dbraw/zinc/18/47/13/721184713.db2.gz UWFIIYRFECTUEM-YADHBBJMSA-N 1 3 393.535 2.552 20 0 GFADHO Cc1cc2ccccc2c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164796744 721516330 /nfs/dbraw/zinc/51/63/30/721516330.db2.gz BCXXASSFYAWYRU-UHFFFAOYSA-N 1 3 376.508 2.507 20 0 GFADHO c1ccc(N(c2ccc(CN3CCCC3)cn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)nc1 ZINC001164959720 722051397 /nfs/dbraw/zinc/05/13/97/722051397.db2.gz NKVHENMURBVEMB-MZKRTTBSSA-N 1 3 393.535 2.978 20 0 GFADHO Cn1ccc2c1cc[nH+]c2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982361 722107627 /nfs/dbraw/zinc/10/76/27/722107627.db2.gz NZCNGVGWOZPRFT-NQIIRXRSSA-N 1 3 377.492 2.696 20 0 GFADHO C[C@@H](Cc1cccc(Br)c1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000154142832 551468401 /nfs/dbraw/zinc/46/84/01/551468401.db2.gz YNOGVPFQSCIJEL-HNNXBMFYSA-N 1 3 399.377 2.515 20 0 GFADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000168954087 551634875 /nfs/dbraw/zinc/63/48/75/551634875.db2.gz YEHWBCNCNDMCMT-GOSISDBHSA-N 1 3 383.989 2.857 20 0 GFADHO COc1ccc(Br)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180944500 552241482 /nfs/dbraw/zinc/24/14/82/552241482.db2.gz VRJONDOFYFYVGI-UHFFFAOYSA-N 1 3 384.362 2.916 20 0 GFADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418569276 563220345 /nfs/dbraw/zinc/22/03/45/563220345.db2.gz HVAPTMZNZOKBLE-YOEHRIQHSA-N 1 3 397.361 2.520 20 0 GFADHO CCOC(=O)C1([C@H](C)NCc2ccc(Br)s2)CC[NH2+]CC1 ZINC000422945397 563351277 /nfs/dbraw/zinc/35/12/77/563351277.db2.gz ULKPSUSHBUZXPN-NSHDSACASA-N 1 3 375.332 2.922 20 0 GFADHO C[C@H](NC1CCC([NH+]2CCNCC2)CC1)c1ncc(Br)cc1F ZINC000423499907 563361378 /nfs/dbraw/zinc/36/13/78/563361378.db2.gz BQGOTLFXSJUYQW-GRTSSRMGSA-N 1 3 385.325 2.850 20 0 GFADHO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CNCCCO1 ZINC000423496384 563361560 /nfs/dbraw/zinc/36/15/60/563361560.db2.gz WTEZBKUIYMIFKI-BBRMVZONSA-N 1 3 388.293 2.580 20 0 GFADHO C[C@@H](CCc1ccc(I)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000423496384 563361561 /nfs/dbraw/zinc/36/15/61/563361561.db2.gz WTEZBKUIYMIFKI-BBRMVZONSA-N 1 3 388.293 2.580 20 0 GFADHO Cc1cc(Br)cn2c(C[NH2+]CCN3CCN(C)C(C)(C)C3)cnc12 ZINC000282062092 563396454 /nfs/dbraw/zinc/39/64/54/563396454.db2.gz BODAXKIGFMBODL-UHFFFAOYSA-N 1 3 394.361 2.521 20 0 GFADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000375837372 563420421 /nfs/dbraw/zinc/42/04/21/563420421.db2.gz GMLCMBGHNQYRMQ-HNNXBMFYSA-N 1 3 385.599 2.611 20 0 GFADHO CN(C)[C@]1(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCSC1 ZINC000415952466 563801267 /nfs/dbraw/zinc/80/12/67/563801267.db2.gz HIMWODNIYXMTNS-HNNXBMFYSA-N 1 3 376.448 2.723 20 0 GFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000517733067 564541342 /nfs/dbraw/zinc/54/13/42/564541342.db2.gz WVBYCYJNEMHOJY-DOTOQJQBSA-N 1 3 385.346 2.899 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCNC2CC[NH+](C3CC3)CC2)s1 ZINC000459397887 564742308 /nfs/dbraw/zinc/74/23/08/564742308.db2.gz HRCMPDWJLZAMPG-UHFFFAOYSA-N 1 3 385.599 2.538 20 0 GFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ncc(Br)cc1F ZINC000529566147 564842721 /nfs/dbraw/zinc/84/27/21/564842721.db2.gz AUSPNBSTKQOGIA-HNNXBMFYSA-N 1 3 387.341 2.831 20 0 GFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ncc(Br)cc1F ZINC000529566147 564842727 /nfs/dbraw/zinc/84/27/27/564842727.db2.gz AUSPNBSTKQOGIA-HNNXBMFYSA-N 1 3 387.341 2.831 20 0 GFADHO CN(CCn1cc(Br)cn1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685477641 565107760 /nfs/dbraw/zinc/10/77/60/565107760.db2.gz JCPKXBSQLFDHDL-UHFFFAOYSA-N 1 3 381.318 2.718 20 0 GFADHO Brc1cccc(C2([NH2+]C[C@H]3CCC4(CNC4)O3)CCOCC2)c1 ZINC000662259040 565357366 /nfs/dbraw/zinc/35/73/66/565357366.db2.gz OUZWPRBLHYYFAS-MRXNPFEDSA-N 1 3 381.314 2.565 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000623401039 565508397 /nfs/dbraw/zinc/50/83/97/565508397.db2.gz OZMQDWLQMWILJD-HNNXBMFYSA-N 1 3 387.615 2.784 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623401039 565508402 /nfs/dbraw/zinc/50/84/02/565508402.db2.gz OZMQDWLQMWILJD-HNNXBMFYSA-N 1 3 387.615 2.784 20 0 GFADHO CCN1CCN([C@H](C)C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000102422382 655055051 /nfs/dbraw/zinc/05/50/51/655055051.db2.gz XRKCXZJXJSGACA-OAHLLOKOSA-N 1 3 394.357 2.841 20 0 GFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760477952 655982157 /nfs/dbraw/zinc/98/21/57/655982157.db2.gz SDPMZZQEPLLANA-UHFFFAOYSA-N 1 3 383.005 2.920 20 0 GFADHO CN(C)C(=O)CC[NH+]1CCC(NCc2cc3nc(Cl)ccc3s2)CC1 ZINC000877009056 662869545 /nfs/dbraw/zinc/86/95/45/662869545.db2.gz SCGIYRTXOVFJSM-UHFFFAOYSA-N 1 3 380.945 2.982 20 0 GFADHO O[C@@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000905173816 663856573 /nfs/dbraw/zinc/85/65/73/663856573.db2.gz HRRMIBDAWIUARW-QYZOEREBSA-N 1 3 397.357 2.840 20 0 GFADHO c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001164726339 720420087 /nfs/dbraw/zinc/42/00/87/720420087.db2.gz BNKMXEGDBXZXRE-LEWJYISDSA-N 1 3 393.535 2.804 20 0 GFADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CCN3C2)c1 ZINC001164867268 721114158 /nfs/dbraw/zinc/11/41/58/721114158.db2.gz XPAJIHDJLRQIOX-LEWJYISDSA-N 1 3 379.508 2.557 20 0 GFADHO FC1(F)CCN(c2ccc3c(n2)CC[NH2+]C3)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907981 721586851 /nfs/dbraw/zinc/58/68/51/721586851.db2.gz XQLVUNRSFYNWSE-OAQYLSRUSA-N 1 3 399.489 2.860 20 0 GFADHO C[C@@H](NCc1cccs1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000156538772 551524390 /nfs/dbraw/zinc/52/43/90/551524390.db2.gz DJZCALRDUCOYQF-OAHLLOKOSA-N 1 3 381.567 2.829 20 0 GFADHO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262615750 553173031 /nfs/dbraw/zinc/17/30/31/553173031.db2.gz GFNYOZCEWZLWIS-OLZOCXBDSA-N 1 3 375.270 2.806 20 0 GFADHO C[C@@H](NC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1)[C@H](C)[NH3+] ZINC000418697679 563223054 /nfs/dbraw/zinc/22/30/54/563223054.db2.gz MEUIWZXRYNYJMR-UONOGXRCSA-N 1 3 397.361 2.791 20 0 GFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422842663 563349785 /nfs/dbraw/zinc/34/97/85/563349785.db2.gz YUJSXJWJSZETIA-YQFWSFKMSA-N 1 3 383.330 2.963 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423162028 563357906 /nfs/dbraw/zinc/35/79/06/563357906.db2.gz OTWKHEZYKFDSKJ-GRDNDAEWSA-N 1 3 385.346 2.716 20 0 GFADHO O=C1CC[C@@H](N[C@@H]2CCc3sc(Br)cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000333305323 563627389 /nfs/dbraw/zinc/62/73/89/563627389.db2.gz QTIWEFFXQNPSRT-XNJGSVPQSA-N 1 3 398.370 2.734 20 0 GFADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)CC1(c2ccc(Br)cc2)CC1 ZINC000414746592 563751598 /nfs/dbraw/zinc/75/15/98/563751598.db2.gz SKVIUDNHYGATAQ-OAHLLOKOSA-N 1 3 394.357 2.610 20 0 GFADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)CC1(c2ccc(Br)cc2)CC1 ZINC000414746592 563751600 /nfs/dbraw/zinc/75/16/00/563751600.db2.gz SKVIUDNHYGATAQ-OAHLLOKOSA-N 1 3 394.357 2.610 20 0 GFADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCC[C@H]2c2ccc(Br)s2)C1 ZINC000414753378 563751983 /nfs/dbraw/zinc/75/19/83/563751983.db2.gz DMFBZGPDYLUHLW-OLZOCXBDSA-N 1 3 386.359 2.845 20 0 GFADHO Cc1cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Br ZINC000414986614 563756455 /nfs/dbraw/zinc/75/64/55/563756455.db2.gz NVKYWZXBDSZFGA-CQSZACIVSA-N 1 3 380.252 2.683 20 0 GFADHO CS[C@H]1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@H]1N(C)C ZINC000415948941 563801051 /nfs/dbraw/zinc/80/10/51/563801051.db2.gz FDEINCNFJZFVTM-KGLIPLIRSA-N 1 3 376.448 2.673 20 0 GFADHO [NH3+]CC[C@H](NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C(F)(F)F ZINC000415997223 563801927 /nfs/dbraw/zinc/80/19/27/563801927.db2.gz RBPRTBPJOFFQJK-OCCSQVGLSA-N 1 3 378.464 2.539 20 0 GFADHO CN(CCOc1cccc(Br)c1)CCN(C)C1CC[NH+](C)CC1 ZINC000538134273 564183774 /nfs/dbraw/zinc/18/37/74/564183774.db2.gz BNNNGBBDMFRWJF-UHFFFAOYSA-N 1 3 384.362 2.786 20 0 GFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]21 ZINC000566562202 564332424 /nfs/dbraw/zinc/33/24/24/564332424.db2.gz OKWKKVIJSBOONJ-VJUNAUMWSA-N 1 3 378.314 2.614 20 0 GFADHO C[C@@H](Cc1ccc(Br)cc1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000556889684 564844447 /nfs/dbraw/zinc/84/44/47/564844447.db2.gz PSFKGAZCPOXYTJ-INIZCTEOSA-N 1 3 396.373 2.962 20 0 GFADHO Cc1[nH+]c2ccc(Br)cc2c(NC[C@H]2CN(C)CCN2C)c1C ZINC000462839162 564859736 /nfs/dbraw/zinc/85/97/36/564859736.db2.gz UJOPWHNCJDWKOG-HNNXBMFYSA-N 1 3 377.330 2.694 20 0 GFADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1Br ZINC000531959295 564924597 /nfs/dbraw/zinc/92/45/97/564924597.db2.gz JNOOPSDXIIMSOR-UKRRQHHQSA-N 1 3 398.345 2.696 20 0 GFADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000660651805 565286432 /nfs/dbraw/zinc/28/64/32/565286432.db2.gz CKQZVEPYZCPRRJ-AEFFLSMTSA-N 1 3 383.330 2.607 20 0 GFADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000660651805 565286434 /nfs/dbraw/zinc/28/64/34/565286434.db2.gz CKQZVEPYZCPRRJ-AEFFLSMTSA-N 1 3 383.330 2.607 20 0 GFADHO O=S1(=O)CC[C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2cc(Br)ccc21 ZINC000643549141 565435051 /nfs/dbraw/zinc/43/50/51/565435051.db2.gz JARPTPFRVAYERX-DMEJVMROSA-N 1 3 399.354 2.645 20 0 GFADHO CN1CCC([N@@H+]2CC[C@H](NCc3c(F)ccc(Br)c3F)C2)CC1 ZINC000669681980 565699085 /nfs/dbraw/zinc/69/90/85/565699085.db2.gz AALKABUUVSSLAS-LBPRGKRZSA-N 1 3 388.300 2.985 20 0 GFADHO CN1CCC([N@H+]2CC[C@H](NCc3c(F)ccc(Br)c3F)C2)CC1 ZINC000669681980 565699089 /nfs/dbraw/zinc/69/90/89/565699089.db2.gz AALKABUUVSSLAS-LBPRGKRZSA-N 1 3 388.300 2.985 20 0 GFADHO [NH3+]C[C@]12CCC[C@H]1CN([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629539054 565857769 /nfs/dbraw/zinc/85/77/69/565857769.db2.gz PSRPFFLPFCFTMP-XCRHUMRWSA-N 1 3 378.314 2.763 20 0 GFADHO NC[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629539054 565857772 /nfs/dbraw/zinc/85/77/72/565857772.db2.gz PSRPFFLPFCFTMP-XCRHUMRWSA-N 1 3 378.314 2.763 20 0 GFADHO NC[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629539054 565857775 /nfs/dbraw/zinc/85/77/75/565857775.db2.gz PSRPFFLPFCFTMP-XCRHUMRWSA-N 1 3 378.314 2.763 20 0 GFADHO COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826157718 608378305 /nfs/dbraw/zinc/37/83/05/608378305.db2.gz IHOBLVWJLWIANN-UHFFFAOYSA-N 1 3 390.507 2.576 20 0 GFADHO COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826157718 608378306 /nfs/dbraw/zinc/37/83/06/608378306.db2.gz IHOBLVWJLWIANN-UHFFFAOYSA-N 1 3 390.507 2.576 20 0 GFADHO CN1CCC[N@H+](CCCN[C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817577218 660201193 /nfs/dbraw/zinc/20/11/93/660201193.db2.gz GDYLWJZIRYTPRF-OAHLLOKOSA-N 1 3 387.391 2.974 20 0 GFADHO CN1CCC[N@@H+](CCCN[C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817577218 660201194 /nfs/dbraw/zinc/20/11/94/660201194.db2.gz GDYLWJZIRYTPRF-OAHLLOKOSA-N 1 3 387.391 2.974 20 0 GFADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000819083904 660245857 /nfs/dbraw/zinc/24/58/57/660245857.db2.gz HRXCGRWUSJQDAT-KSSFIOAISA-N 1 3 383.330 2.573 20 0 GFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000124962274 654784701 /nfs/dbraw/zinc/78/47/01/654784701.db2.gz QYCUQKVFTLFISL-HOCLYGCPSA-N 1 3 395.345 2.979 20 0 GFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000124962274 654784702 /nfs/dbraw/zinc/78/47/02/654784702.db2.gz QYCUQKVFTLFISL-HOCLYGCPSA-N 1 3 395.345 2.979 20 0 GFADHO CN(Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000277329165 655313320 /nfs/dbraw/zinc/31/33/20/655313320.db2.gz CNWAYGMPZXTLHR-MSOLQXFVSA-N 1 3 383.330 2.891 20 0 GFADHO CN(Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000277329165 655313323 /nfs/dbraw/zinc/31/33/23/655313323.db2.gz CNWAYGMPZXTLHR-MSOLQXFVSA-N 1 3 383.330 2.891 20 0 GFADHO C[C@@H](C[NH+]1CCCC1)OC(=O)C1CCN(c2ccccc2Br)C1=O ZINC000845673142 661487979 /nfs/dbraw/zinc/48/79/79/661487979.db2.gz QGTMDRWOJNUWFF-UONOGXRCSA-N 1 3 395.297 2.830 20 0 GFADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000903434495 663784700 /nfs/dbraw/zinc/78/47/00/663784700.db2.gz GEXQVFBHVSUWJE-HIFRSBDPSA-N 1 3 380.330 2.955 20 0 GFADHO Cc1c(C[C@@H](CN)C[NH2+][C@H](C)Cc2ccccc2Br)cnn1C ZINC000903920418 663811706 /nfs/dbraw/zinc/81/17/06/663811706.db2.gz JHRPOYANUYJGIF-HIFRSBDPSA-N 1 3 379.346 2.829 20 0 GFADHO Cc1c(C[C@H](CN)C[NH2+][C@@H](C)Cc2ccc(F)c(Br)c2)cnn1C ZINC000903923478 663811999 /nfs/dbraw/zinc/81/19/99/663811999.db2.gz VEIIPDSJPRGGOV-SWLSCSKDSA-N 1 3 397.336 2.968 20 0 GFADHO O[C@@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000905173810 663856622 /nfs/dbraw/zinc/85/66/22/663856622.db2.gz HRRMIBDAWIUARW-OTWHNJEPSA-N 1 3 397.357 2.840 20 0 GFADHO C[C@@H](C(=O)Nc1cccc(Br)c1)N(C)CCCN(C)CC[NH+](C)C ZINC000579767393 677673519 /nfs/dbraw/zinc/67/35/19/677673519.db2.gz FQLIULSIHCTDGI-HNNXBMFYSA-N 1 3 399.377 2.591 20 0 GFADHO Fc1cccnc1N(c1ccc(CN2CCCC2)cn1)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164691091 719760776 /nfs/dbraw/zinc/76/07/76/719760776.db2.gz LDXZOHVUUCGYGF-XMSQKQJNSA-N 1 3 397.498 2.871 20 0 GFADHO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2)CC1 ZINC001164725325 720471474 /nfs/dbraw/zinc/47/14/74/720471474.db2.gz JOYIALITIRMLHC-YADHBBJMSA-N 1 3 393.535 2.803 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000120336959 551219583 /nfs/dbraw/zinc/21/95/83/551219583.db2.gz XNPMXEHHBNCPKX-UHFFFAOYSA-N 1 3 378.851 2.899 20 0 GFADHO CN(CCOc1ccccc1Br)CCN(C)C1CC[NH+](C)CC1 ZINC000180934447 552240742 /nfs/dbraw/zinc/24/07/42/552240742.db2.gz NMARFULGQQSJEZ-UHFFFAOYSA-N 1 3 384.362 2.786 20 0 GFADHO CN1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188731966 552454171 /nfs/dbraw/zinc/45/41/71/552454171.db2.gz IMBUKVVKUGMSDA-OAHLLOKOSA-N 1 3 382.346 2.717 20 0 GFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896351 563349715 /nfs/dbraw/zinc/34/97/15/563349715.db2.gz XVKVQJJLPNZXCF-KYNGSXCRSA-N 1 3 396.373 2.755 20 0 GFADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000423096226 563355114 /nfs/dbraw/zinc/35/51/14/563355114.db2.gz OEAZBLBHGUFHID-BBWFWOEESA-N 1 3 399.320 2.725 20 0 GFADHO O=S1(=O)CC[C@@H](NCCC[C@H]2CCC[NH2+]2)c2cc(Br)ccc21 ZINC000423484007 563361528 /nfs/dbraw/zinc/36/15/28/563361528.db2.gz QPTYBJXDBJRNJN-UKRRQHHQSA-N 1 3 387.343 2.789 20 0 GFADHO O=S1(=O)CC[C@H](NCCC[C@H]2CCC[NH2+]2)c2cc(Br)ccc21 ZINC000423484006 563361547 /nfs/dbraw/zinc/36/15/47/563361547.db2.gz QPTYBJXDBJRNJN-HIFRSBDPSA-N 1 3 387.343 2.789 20 0 GFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Br)cs1 ZINC000333299818 563627159 /nfs/dbraw/zinc/62/71/59/563627159.db2.gz PVEDFHFUGXONAA-ZXIHIIQKSA-N 1 3 386.359 2.808 20 0 GFADHO C[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)CN1CCCCC1 ZINC000362802365 563709517 /nfs/dbraw/zinc/70/95/17/563709517.db2.gz LOHWWJILOCDCEX-MRXNPFEDSA-N 1 3 385.599 2.613 20 0 GFADHO NCC(=O)N1CCC[C@H](CN2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000414689670 563750109 /nfs/dbraw/zinc/75/01/09/563750109.db2.gz LQSSQVMIAKNMIS-PBHICJAKSA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000414689670 563750111 /nfs/dbraw/zinc/75/01/11/563750111.db2.gz LQSSQVMIAKNMIS-PBHICJAKSA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000414689670 563750113 /nfs/dbraw/zinc/75/01/13/563750113.db2.gz LQSSQVMIAKNMIS-PBHICJAKSA-N 1 3 380.330 2.783 20 0 GFADHO Cc1c([C@@H](C)NCC[C@@H]2CC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000567638507 564381262 /nfs/dbraw/zinc/38/12/62/564381262.db2.gz MBVJTILLEKJXMT-OCCSQVGLSA-N 1 3 378.318 2.988 20 0 GFADHO C[C@@H](NCC1CC[NH+](CCO)CC1)c1ccccc1I ZINC000482558321 564545523 /nfs/dbraw/zinc/54/55/23/564545523.db2.gz WJRIPGZJEFWEFI-CYBMUJFWSA-N 1 3 388.293 2.646 20 0 GFADHO COCCC[NH+]1CCC(NC[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000573477451 564640705 /nfs/dbraw/zinc/64/07/05/564640705.db2.gz GXAXCORDVKKSLF-HNNXBMFYSA-N 1 3 391.339 2.824 20 0 GFADHO C(CCN1CCO[C@]2(CCSC2)C1)CC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000573560751 564643374 /nfs/dbraw/zinc/64/33/74/564643374.db2.gz BONNNDCZJPETDV-RTBURBONSA-N 1 3 386.627 2.573 20 0 GFADHO C(CCN1CCO[C@]2(CCSC2)C1)CC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000573560751 564643376 /nfs/dbraw/zinc/64/33/76/564643376.db2.gz BONNNDCZJPETDV-RTBURBONSA-N 1 3 386.627 2.573 20 0 GFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685735 564756965 /nfs/dbraw/zinc/75/69/65/564756965.db2.gz BEYLLRRBRKRASV-QGTPRVQTSA-N 1 3 385.321 2.956 20 0 GFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685735 564756968 /nfs/dbraw/zinc/75/69/68/564756968.db2.gz BEYLLRRBRKRASV-QGTPRVQTSA-N 1 3 385.321 2.956 20 0 GFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc2c(cc1Br)OCO2 ZINC000657574258 565109994 /nfs/dbraw/zinc/10/99/94/565109994.db2.gz VDIHKHRDZUVMRV-ZDUSSCGKSA-N 1 3 386.334 2.539 20 0 GFADHO CN(C)C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000638831456 565214578 /nfs/dbraw/zinc/21/45/78/565214578.db2.gz LQCCYIHFRBKJOQ-GJZGRUSLSA-N 1 3 375.460 2.519 20 0 GFADHO Cc1c(Br)ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1F ZINC000617507480 565244437 /nfs/dbraw/zinc/24/44/37/565244437.db2.gz YMZGDYMCBLFIHU-LBPRGKRZSA-N 1 3 388.325 2.898 20 0 GFADHO Cc1c(Br)ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1F ZINC000617507480 565244439 /nfs/dbraw/zinc/24/44/39/565244439.db2.gz YMZGDYMCBLFIHU-LBPRGKRZSA-N 1 3 388.325 2.898 20 0 GFADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698234 565382443 /nfs/dbraw/zinc/38/24/43/565382443.db2.gz JWVWXRHINOQBKA-CZUORRHYSA-N 1 3 375.460 2.618 20 0 GFADHO Brc1ccc([C@H](NCCCN2CC[NH2+]CC2)[C@H]2CCCO2)cc1 ZINC000643496343 565433853 /nfs/dbraw/zinc/43/38/53/565433853.db2.gz BAMAJSASGDFOMC-MSOLQXFVSA-N 1 3 382.346 2.554 20 0 GFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000647492295 565661920 /nfs/dbraw/zinc/66/19/20/565661920.db2.gz AGOXWLIPXCGBMI-UHFFFAOYSA-N 1 3 396.251 2.685 20 0 GFADHO C[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000824598553 608280496 /nfs/dbraw/zinc/28/04/96/608280496.db2.gz GESBAAZYAZXEBP-INIZCTEOSA-N 1 3 396.495 2.537 20 0 GFADHO C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824984986 609138529 /nfs/dbraw/zinc/13/85/29/609138529.db2.gz QAHSWCORUOUSAE-QLFBSQMISA-N 1 3 376.480 2.546 20 0 GFADHO C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824984986 609138530 /nfs/dbraw/zinc/13/85/30/609138530.db2.gz QAHSWCORUOUSAE-QLFBSQMISA-N 1 3 376.480 2.546 20 0 GFADHO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174711140 655206290 /nfs/dbraw/zinc/20/62/90/655206290.db2.gz PMRFZWLUNZWTFB-CQSZACIVSA-N 1 3 387.355 2.890 20 0 GFADHO C[N@@H+]1CC[C@@H](CCOC(=O)C2CCN(c3ccccc3Br)C2=O)C1 ZINC000847825834 661612444 /nfs/dbraw/zinc/61/24/44/661612444.db2.gz RQOHZQGNWUUYCW-UONOGXRCSA-N 1 3 395.297 2.687 20 0 GFADHO C[N@H+]1CC[C@@H](CCOC(=O)C2CCN(c3ccccc3Br)C2=O)C1 ZINC000847825834 661612449 /nfs/dbraw/zinc/61/24/49/661612449.db2.gz RQOHZQGNWUUYCW-UONOGXRCSA-N 1 3 395.297 2.687 20 0 GFADHO Cn1cc(CNCC2CC[NH+](Cc3ccncc3)CC2)c(Br)n1 ZINC000858189445 662104111 /nfs/dbraw/zinc/10/41/11/662104111.db2.gz RLFPUQFRPAFGDH-UHFFFAOYSA-N 1 3 378.318 2.579 20 0 GFADHO COc1ccc(Br)cc1C1(NC[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903764453 663806078 /nfs/dbraw/zinc/80/60/78/663806078.db2.gz RXLWFLHJMWDXMD-WMLDXEAASA-N 1 3 381.314 2.805 20 0 GFADHO [NH3+]CCCOC1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923296885 664627780 /nfs/dbraw/zinc/62/77/80/664627780.db2.gz KJPYDSLMJUQUTN-CYBMUJFWSA-N 1 3 377.312 2.563 20 0 GFADHO [NH3+]CCCOC1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923299170 664627807 /nfs/dbraw/zinc/62/78/07/664627807.db2.gz YMHMMKLWCGWGAF-CQSZACIVSA-N 1 3 377.312 2.563 20 0 GFADHO Fc1cccnc1N(c1ccc(CN2CCCC2)cn1)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164691090 719760095 /nfs/dbraw/zinc/76/00/95/719760095.db2.gz LDXZOHVUUCGYGF-PGRDOPGGSA-N 1 3 397.498 2.871 20 0 GFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Br)s1 ZINC000168903392 551634896 /nfs/dbraw/zinc/63/48/96/551634896.db2.gz LYNIXXULGAXOTN-CQSZACIVSA-N 1 3 390.391 2.551 20 0 GFADHO CCOC(=O)C1([C@@H](C)NCc2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000422770292 563348981 /nfs/dbraw/zinc/34/89/81/563348981.db2.gz VWQXFQVNXFHEED-GFCCVEGCSA-N 1 3 387.293 2.999 20 0 GFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422878850 563349682 /nfs/dbraw/zinc/34/96/82/563349682.db2.gz KVYXPDWEPVPGNK-QGTPRVQTSA-N 1 3 397.357 2.839 20 0 GFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(Br)cc1N1CCOCC1 ZINC000422989549 563352279 /nfs/dbraw/zinc/35/22/79/563352279.db2.gz LRLIHTVJTKGEGF-RHSMWYFYSA-N 1 3 382.346 2.893 20 0 GFADHO COC[C@@H](CCC[NH3+])N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423094716 563354751 /nfs/dbraw/zinc/35/47/51/563354751.db2.gz KPDMETVFBQHAGK-RISCZKNCSA-N 1 3 399.251 2.845 20 0 GFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(I)c(Cl)c1 ZINC000423116498 563356312 /nfs/dbraw/zinc/35/63/12/563356312.db2.gz QAOFJKVZGOWQRP-PXWWUCIGSA-N 1 3 394.684 2.787 20 0 GFADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Br)c1 ZINC000423394871 563360451 /nfs/dbraw/zinc/36/04/51/563360451.db2.gz SHDQXOOKTYWLLK-SMDDNHRTSA-N 1 3 380.252 2.936 20 0 GFADHO Brc1cccc([C@H]([NH2+]C[C@H]2CNCCCO2)C2CCOCC2)c1 ZINC000423489208 563361487 /nfs/dbraw/zinc/36/14/87/563361487.db2.gz FOQRAWICUCPNNE-QZTJIDSGSA-N 1 3 383.330 2.885 20 0 GFADHO CN(C)CCN(Cc1ccsc1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412420297 563657261 /nfs/dbraw/zinc/65/72/61/563657261.db2.gz RPANIGAKUNJLKF-SFHVURJKSA-N 1 3 381.611 2.856 20 0 GFADHO CN1CCC(O)(C[NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC000289813883 563687123 /nfs/dbraw/zinc/68/71/23/563687123.db2.gz SHKNDLXKKHCKEI-UHFFFAOYSA-N 1 3 392.135 2.758 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741671 563751652 /nfs/dbraw/zinc/75/16/52/563751652.db2.gz FMEVWRSVOYKDEA-DZGCQCFKSA-N 1 3 386.323 2.644 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741671 563751656 /nfs/dbraw/zinc/75/16/56/563751656.db2.gz FMEVWRSVOYKDEA-DZGCQCFKSA-N 1 3 386.323 2.644 20 0 GFADHO CCN(CC)[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000481061578 564502521 /nfs/dbraw/zinc/50/25/21/564502521.db2.gz PFUQWQHGSDOEHR-FUHWJXTLSA-N 1 3 384.615 2.868 20 0 GFADHO COCC[N@H+](C)C[C@H](O)CNC1(c2ccc(Br)cc2)CCCC1 ZINC000571295329 564544854 /nfs/dbraw/zinc/54/48/54/564544854.db2.gz VPECISMPTCLBFD-QGZVFWFLSA-N 1 3 385.346 2.747 20 0 GFADHO COCC[N@@H+](C)C[C@H](O)CNC1(c2ccc(Br)cc2)CCCC1 ZINC000571295329 564544862 /nfs/dbraw/zinc/54/48/62/564544862.db2.gz VPECISMPTCLBFD-QGZVFWFLSA-N 1 3 385.346 2.747 20 0 GFADHO O=S(=O)(CCNC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000519869745 564593935 /nfs/dbraw/zinc/59/39/35/564593935.db2.gz DZYKZTRTEGXQQL-UHFFFAOYSA-N 1 3 379.913 2.767 20 0 GFADHO CN1CCCN(CCC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549733432 564603961 /nfs/dbraw/zinc/60/39/61/564603961.db2.gz FCQABCNKKQSUSE-KRWDZBQOSA-N 1 3 380.374 2.924 20 0 GFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc2c(c(Br)c1)OCO2 ZINC000576060296 564705874 /nfs/dbraw/zinc/70/58/74/564705874.db2.gz LFLDWWPTYYFXFJ-UHFFFAOYSA-N 1 3 398.345 2.636 20 0 GFADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCc1cccc(Cl)c1Cl ZINC000580714894 564771286 /nfs/dbraw/zinc/77/12/86/564771286.db2.gz NFDWNJZJSVDECK-HZPDHXFCSA-N 1 3 384.351 2.974 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000617506177 565242649 /nfs/dbraw/zinc/24/26/49/565242649.db2.gz DOWJJCKRFOLDHR-GJZGRUSLSA-N 1 3 384.362 2.941 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000617506177 565242653 /nfs/dbraw/zinc/24/26/53/565242653.db2.gz DOWJJCKRFOLDHR-GJZGRUSLSA-N 1 3 384.362 2.941 20 0 GFADHO Cc1ccc(F)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1Br ZINC000617507398 565244167 /nfs/dbraw/zinc/24/41/67/565244167.db2.gz VIYZYAQMYBUUTC-ZDUSSCGKSA-N 1 3 388.325 2.898 20 0 GFADHO Cc1ccc(F)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1Br ZINC000617507398 565244171 /nfs/dbraw/zinc/24/41/71/565244171.db2.gz VIYZYAQMYBUUTC-ZDUSSCGKSA-N 1 3 388.325 2.898 20 0 GFADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466024 565422384 /nfs/dbraw/zinc/42/23/84/565422384.db2.gz NDBNINFGEIDZME-HOCLYGCPSA-N 1 3 382.346 2.711 20 0 GFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000644532053 565480353 /nfs/dbraw/zinc/48/03/53/565480353.db2.gz XCVUKBNMRLYSCH-NVXWUHKLSA-N 1 3 385.346 2.899 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1Cc2cccc(Br)c2C1 ZINC000665760683 565511436 /nfs/dbraw/zinc/51/14/36/565511436.db2.gz MXEUOXUZWDJBHM-AWEZNQCLSA-N 1 3 397.361 2.746 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1Cc2cccc(Br)c2C1 ZINC000665760683 565511437 /nfs/dbraw/zinc/51/14/37/565511437.db2.gz MXEUOXUZWDJBHM-AWEZNQCLSA-N 1 3 397.361 2.746 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(F)ccc1Br ZINC000666323866 565531770 /nfs/dbraw/zinc/53/17/70/565531770.db2.gz BTTWWUVCMWGOPH-LBPRGKRZSA-N 1 3 389.313 2.982 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(F)ccc1Br ZINC000666323866 565531774 /nfs/dbraw/zinc/53/17/74/565531774.db2.gz BTTWWUVCMWGOPH-LBPRGKRZSA-N 1 3 389.313 2.982 20 0 GFADHO Brc1ccc(-c2n[n-]c(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000647791449 565677272 /nfs/dbraw/zinc/67/72/72/565677272.db2.gz DGSUKXZNMSSYFB-KCQAQPDRSA-N 1 3 376.302 2.712 20 0 GFADHO Brc1ccc(-c2nnc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)[n-]2)cc1 ZINC000647791449 565677276 /nfs/dbraw/zinc/67/72/76/565677276.db2.gz DGSUKXZNMSSYFB-KCQAQPDRSA-N 1 3 376.302 2.712 20 0 GFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631042597 565935400 /nfs/dbraw/zinc/93/54/00/565935400.db2.gz JSLLZXRBLKBEBF-GJZGRUSLSA-N 1 3 387.977 2.835 20 0 GFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631042593 565935414 /nfs/dbraw/zinc/93/54/14/565935414.db2.gz JSLLZXRBLKBEBF-GASCZTMLSA-N 1 3 387.977 2.835 20 0 GFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631042593 565935418 /nfs/dbraw/zinc/93/54/18/565935418.db2.gz JSLLZXRBLKBEBF-GASCZTMLSA-N 1 3 387.977 2.835 20 0 GFADHO [NH3+]C[C@H]1CC[C@H](N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000635007654 566188228 /nfs/dbraw/zinc/18/82/28/566188228.db2.gz WXFSZKGNMPXBKJ-UXIGCNINSA-N 1 3 387.343 2.775 20 0 GFADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820705033 606914917 /nfs/dbraw/zinc/91/49/17/606914917.db2.gz RQHKVEQICCGNDB-LAUBAEHRSA-N 1 3 398.555 2.877 20 0 GFADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820705033 606914918 /nfs/dbraw/zinc/91/49/18/606914918.db2.gz RQHKVEQICCGNDB-LAUBAEHRSA-N 1 3 398.555 2.877 20 0 GFADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820705033 606914919 /nfs/dbraw/zinc/91/49/19/606914919.db2.gz RQHKVEQICCGNDB-LAUBAEHRSA-N 1 3 398.555 2.877 20 0 GFADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820705033 606914920 /nfs/dbraw/zinc/91/49/20/606914920.db2.gz RQHKVEQICCGNDB-LAUBAEHRSA-N 1 3 398.555 2.877 20 0 GFADHO C[NH+](C)CCOc1cc(CNC[C@H](O)c2ccccc2Br)ccn1 ZINC000819197106 660249859 /nfs/dbraw/zinc/24/98/59/660249859.db2.gz XKISCTKVCQVQAT-KRWDZBQOSA-N 1 3 394.313 2.608 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000119361807 655300736 /nfs/dbraw/zinc/30/07/36/655300736.db2.gz SODCTSMTCMSWEW-NVXWUHKLSA-N 1 3 387.615 2.641 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000119361807 655300739 /nfs/dbraw/zinc/30/07/39/655300739.db2.gz SODCTSMTCMSWEW-NVXWUHKLSA-N 1 3 387.615 2.641 20 0 GFADHO CSc1ccc([C@@H](CNC(=S)NCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000840767705 661185398 /nfs/dbraw/zinc/18/53/98/661185398.db2.gz QQMZPCUPFMMUNJ-GOSISDBHSA-N 1 3 380.627 2.817 20 0 GFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccccc1I ZINC000850353921 661771620 /nfs/dbraw/zinc/77/16/20/661771620.db2.gz PVJSBHLPTSMPFG-AWEZNQCLSA-N 1 3 389.325 2.653 20 0 GFADHO C[N@H+](CCOc1ccc(Cl)cc1Br)C1(CN)CCOCC1 ZINC000903807401 663807217 /nfs/dbraw/zinc/80/72/17/663807217.db2.gz CVCXZJXTALEMMV-UHFFFAOYSA-N 1 3 377.710 2.921 20 0 GFADHO C[N@@H+](CCOc1ccc(Cl)cc1Br)C1(CN)CCOCC1 ZINC000903807401 663807218 /nfs/dbraw/zinc/80/72/18/663807218.db2.gz CVCXZJXTALEMMV-UHFFFAOYSA-N 1 3 377.710 2.921 20 0 GFADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)c(F)c1 ZINC000925855647 664676218 /nfs/dbraw/zinc/67/62/18/664676218.db2.gz LLEIOYAPPCDFRJ-YPMHNXCESA-N 1 3 385.277 2.924 20 0 GFADHO C(CCN1CCS[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000246777805 553112739 /nfs/dbraw/zinc/11/27/39/553112739.db2.gz IIFJSZLWZLEWHD-INDMIFKZSA-N 1 3 386.627 2.569 20 0 GFADHO C(CCN1CCS[C@@H]2COCC[C@@H]21)CC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000246777805 553112741 /nfs/dbraw/zinc/11/27/41/553112741.db2.gz IIFJSZLWZLEWHD-INDMIFKZSA-N 1 3 386.627 2.569 20 0 GFADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Br)c1 ZINC000423394869 563360203 /nfs/dbraw/zinc/36/02/03/563360203.db2.gz SHDQXOOKTYWLLK-FZMZJTMJSA-N 1 3 380.252 2.936 20 0 GFADHO FC(F)(F)[C@@H](CN[C@@H]1CCc2c1cccc2Br)N1CC[NH2+]CC1 ZINC000423387005 563360583 /nfs/dbraw/zinc/36/05/83/563360583.db2.gz LVSYKGLWXTUDGJ-HUUCEWRRSA-N 1 3 392.263 2.862 20 0 GFADHO FC(F)(F)[C@@H](CN[C@H]1CCc2ccc(Br)cc21)N1CC[NH2+]CC1 ZINC000423403297 563360672 /nfs/dbraw/zinc/36/06/72/563360672.db2.gz XIIDDSVSHPDGKN-LSDHHAIUSA-N 1 3 392.263 2.862 20 0 GFADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423466417 563361218 /nfs/dbraw/zinc/36/12/18/563361218.db2.gz ANTURAINSVJMGU-WDEREUQCSA-N 1 3 380.341 2.824 20 0 GFADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000430950753 563550998 /nfs/dbraw/zinc/55/09/98/563550998.db2.gz SCKAKJBJLPSRLX-AWEZNQCLSA-N 1 3 382.346 2.727 20 0 GFADHO COc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)cc(I)c1OC ZINC000414929427 563754307 /nfs/dbraw/zinc/75/43/07/563754307.db2.gz RJBQGJMFHBSTDM-RYUDHWBXSA-N 1 3 390.265 2.668 20 0 GFADHO COCC1(CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC[NH2+]CC1 ZINC000414977062 563756000 /nfs/dbraw/zinc/75/60/00/563756000.db2.gz QBOUUNJLNHZYFW-UHFFFAOYSA-N 1 3 384.311 2.680 20 0 GFADHO C[C@@H](C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1)c1cccc(Br)c1 ZINC000415102694 563759636 /nfs/dbraw/zinc/75/96/36/563759636.db2.gz CQVXYRGAKRXPLF-GUYCJALGSA-N 1 3 378.318 2.940 20 0 GFADHO C[C@@H](C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1)c1cccc(Br)c1 ZINC000415102694 563759639 /nfs/dbraw/zinc/75/96/39/563759639.db2.gz CQVXYRGAKRXPLF-GUYCJALGSA-N 1 3 378.318 2.940 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000449604689 564192292 /nfs/dbraw/zinc/19/22/92/564192292.db2.gz XYCMIYLPPJTABC-ULQDDVLXSA-N 1 3 397.357 2.825 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000449604689 564192295 /nfs/dbraw/zinc/19/22/95/564192295.db2.gz XYCMIYLPPJTABC-ULQDDVLXSA-N 1 3 397.357 2.825 20 0 GFADHO CO[C@H](C[NH3+])CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000564935198 564258399 /nfs/dbraw/zinc/25/83/99/564258399.db2.gz QIIWJTFUURBILP-HNNXBMFYSA-N 1 3 388.339 2.782 20 0 GFADHO [NH3+]C[C@H]1CN(CCOc2cc(F)cc(Br)c2)CC12CCOCC2 ZINC000566245536 564319437 /nfs/dbraw/zinc/31/94/37/564319437.db2.gz UCPKVBGTHYTNLJ-ZDUSSCGKSA-N 1 3 387.293 2.654 20 0 GFADHO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC(CC[NH3+])CC1 ZINC000568521234 564422765 /nfs/dbraw/zinc/42/27/65/564422765.db2.gz UUKZBZDRZSUJKS-CQSZACIVSA-N 1 3 382.346 2.857 20 0 GFADHO Brc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(N2CCOCC2)c1 ZINC000572038629 564578963 /nfs/dbraw/zinc/57/89/63/564578963.db2.gz MUPYZMGODVQVJO-IYBDPMFKSA-N 1 3 394.357 2.717 20 0 GFADHO CN1CCCN(CCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549733433 564604231 /nfs/dbraw/zinc/60/42/31/564604231.db2.gz FCQABCNKKQSUSE-QGZVFWFLSA-N 1 3 380.374 2.924 20 0 GFADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000573477483 564640624 /nfs/dbraw/zinc/64/06/24/564640624.db2.gz GXAXCORDVKKSLF-OAHLLOKOSA-N 1 3 391.339 2.824 20 0 GFADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(Br)cc2)[C@H]2CCC[C@@H]21 ZINC000552226030 564682650 /nfs/dbraw/zinc/68/26/50/564682650.db2.gz USVBXYNWXASQNG-IKGGRYGDSA-N 1 3 380.330 2.641 20 0 GFADHO C[N@H+]1CC[C@H](NCCNC(=O)c2ccc(Br)cc2)[C@H]2CCC[C@@H]21 ZINC000552226030 564682653 /nfs/dbraw/zinc/68/26/53/564682653.db2.gz USVBXYNWXASQNG-IKGGRYGDSA-N 1 3 380.330 2.641 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(F)c(Br)cc1Cl ZINC000530433697 564881499 /nfs/dbraw/zinc/88/14/99/564881499.db2.gz OAQJQSCBYXNRHH-UHFFFAOYSA-N 1 3 394.716 2.807 20 0 GFADHO CN(C)CC[NH+]1CCC(CNCc2nc3cc(Br)ccc3o2)CC1 ZINC000638564897 565203517 /nfs/dbraw/zinc/20/35/17/565203517.db2.gz NQFCPKKRTHXBCV-UHFFFAOYSA-N 1 3 395.345 2.954 20 0 GFADHO C[C@@H](NCCC1CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000650762122 565834148 /nfs/dbraw/zinc/83/41/48/565834148.db2.gz UEARDDMPSHIZRD-SNVBAGLBSA-N 1 3 380.341 2.681 20 0 GFADHO CCCN(C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655930746 566097137 /nfs/dbraw/zinc/09/71/37/566097137.db2.gz UBARLQKNQWZNEU-KBPBESRZSA-N 1 3 380.842 2.912 20 0 GFADHO CN1CCC[N@H+](CCCN[C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817577217 660201232 /nfs/dbraw/zinc/20/12/32/660201232.db2.gz GDYLWJZIRYTPRF-HNNXBMFYSA-N 1 3 387.391 2.974 20 0 GFADHO CN1CCC[N@@H+](CCCN[C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817577217 660201233 /nfs/dbraw/zinc/20/12/33/660201233.db2.gz GDYLWJZIRYTPRF-HNNXBMFYSA-N 1 3 387.391 2.974 20 0 GFADHO CCOC(=O)C1([C@H](C)NCc2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000817891927 660211711 /nfs/dbraw/zinc/21/17/11/660211711.db2.gz QBBLTEXGCAOYCR-LBPRGKRZSA-N 1 3 387.293 2.999 20 0 GFADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000111240965 655167029 /nfs/dbraw/zinc/16/70/29/655167029.db2.gz WPFVHZHWQFIWST-KRWDZBQOSA-N 1 3 385.346 2.995 20 0 GFADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000111240965 655167032 /nfs/dbraw/zinc/16/70/32/655167032.db2.gz WPFVHZHWQFIWST-KRWDZBQOSA-N 1 3 385.346 2.995 20 0 GFADHO O=C(OCCC[NH+]1CCCC1)C1CCN(c2ccccc2Br)C1=O ZINC000800140515 659276183 /nfs/dbraw/zinc/27/61/83/659276183.db2.gz DWUHRRADTKTCCO-CQSZACIVSA-N 1 3 395.297 2.831 20 0 GFADHO Cc1nc(Cl)c(Cl)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000847409331 661591304 /nfs/dbraw/zinc/59/13/04/661591304.db2.gz MWXOLOFJJDICEL-UHFFFAOYSA-N 1 3 385.339 2.985 20 0 GFADHO CN(C)CCN(Cc1cccs1)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870902394 662707510 /nfs/dbraw/zinc/70/75/10/662707510.db2.gz RDYUSGWCBNAVFF-UHFFFAOYSA-N 1 3 378.567 2.876 20 0 GFADHO C[NH+](C)Cc1cc(CNC(=O)[C@@H](N)c2ccc(Br)cc2)ccc1F ZINC000884220411 663067237 /nfs/dbraw/zinc/06/72/37/663067237.db2.gz RMQNTZWPPRMGQU-KRWDZBQOSA-N 1 3 394.288 2.966 20 0 GFADHO CC(=O)Nc1cc(Br)ccc1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000894524064 663467019 /nfs/dbraw/zinc/46/70/19/663467019.db2.gz TXYFCNIUZHVAMT-UHFFFAOYSA-N 1 3 399.377 2.723 20 0 GFADHO CC(=O)Nc1cc(Br)ccc1CN(C)CCC[N@H+](C)CCN(C)C ZINC000894524064 663467030 /nfs/dbraw/zinc/46/70/30/663467030.db2.gz TXYFCNIUZHVAMT-UHFFFAOYSA-N 1 3 399.377 2.723 20 0 GFADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc2ccccc2s1 ZINC000907135438 664005687 /nfs/dbraw/zinc/00/56/87/664005687.db2.gz XXQJZJFOBVHIND-UHFFFAOYSA-N 1 3 381.567 2.548 20 0 GFADHO CC(C)N1CCN(CCC[NH2+][C@@](C)(CO)c2cccc(Br)c2)CC1 ZINC000934496019 664908841 /nfs/dbraw/zinc/90/88/41/664908841.db2.gz HNTBPVLOEXANRF-IBGZPJMESA-N 1 3 398.389 2.662 20 0 GFADHO C[NH+]1CCC(Oc2ccnc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c2)CC1 ZINC001164784299 721434950 /nfs/dbraw/zinc/43/49/50/721434950.db2.gz LAZBAYRWLKWZOX-CALCHBBNSA-N 1 3 399.564 2.579 20 0 GFADHO c1ccc(N(c2ccc(CN3CCCC3)cn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)nc1 ZINC001164959723 722051330 /nfs/dbraw/zinc/05/13/30/722051330.db2.gz NKVHENMURBVEMB-TXTKFYIRSA-N 1 3 393.535 2.978 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cc(Cl)ccc1Br ZINC000129361105 551356328 /nfs/dbraw/zinc/35/63/28/551356328.db2.gz DXLJIZWEWTZSHK-UHFFFAOYSA-N 1 3 390.753 2.597 20 0 GFADHO C[C@H](NCC1CC[NH+](CCN(C)C)CC1)c1ncc(Br)s1 ZINC000179225457 552187113 /nfs/dbraw/zinc/18/71/13/552187113.db2.gz KMMKHEHALMYBMI-LBPRGKRZSA-N 1 3 375.380 2.830 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000247104406 553118968 /nfs/dbraw/zinc/11/89/68/553118968.db2.gz SODCTSMTCMSWEW-RDJZCZTQSA-N 1 3 387.615 2.641 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[N@@H+](CC)C[C@@H]2C)s1 ZINC000247104406 553118970 /nfs/dbraw/zinc/11/89/70/553118970.db2.gz SODCTSMTCMSWEW-RDJZCZTQSA-N 1 3 387.615 2.641 20 0 GFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422878848 563349617 /nfs/dbraw/zinc/34/96/17/563349617.db2.gz KVYXPDWEPVPGNK-BMGDILEWSA-N 1 3 397.357 2.839 20 0 GFADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423268269 563359397 /nfs/dbraw/zinc/35/93/97/563359397.db2.gz FTFGFLPNOBMHLB-GHMZBOCLSA-N 1 3 380.341 2.681 20 0 GFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(Br)c1 ZINC000423467281 563361105 /nfs/dbraw/zinc/36/11/05/563361105.db2.gz XJXWIYZFHKXIKR-LSKLOWJMSA-N 1 3 398.320 2.886 20 0 GFADHO COc1ccc(CN[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000375783378 563418552 /nfs/dbraw/zinc/41/85/52/563418552.db2.gz CYMQBFRLMCUEEI-OAHLLOKOSA-N 1 3 382.346 2.716 20 0 GFADHO COc1ccc(CN[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000375783378 563418554 /nfs/dbraw/zinc/41/85/54/563418554.db2.gz CYMQBFRLMCUEEI-OAHLLOKOSA-N 1 3 382.346 2.716 20 0 GFADHO COc1ccc(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000375783378 563418557 /nfs/dbraw/zinc/41/85/57/563418557.db2.gz CYMQBFRLMCUEEI-OAHLLOKOSA-N 1 3 382.346 2.716 20 0 GFADHO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431015638 563551533 /nfs/dbraw/zinc/55/15/33/563551533.db2.gz WFQIFOSYIMGINQ-HNNXBMFYSA-N 1 3 394.357 2.872 20 0 GFADHO C[C@H]1C[C@@H](CN2CCN(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000414748283 563751611 /nfs/dbraw/zinc/75/16/11/563751611.db2.gz NRTGTUGEWCNLBM-GJZGRUSLSA-N 1 3 380.330 2.595 20 0 GFADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCC[C@@H]2c2cc(F)cc(Br)c2)C1 ZINC000414753346 563751886 /nfs/dbraw/zinc/75/18/86/563751886.db2.gz MAIIGZZKJMSBHZ-SUMWQHHRSA-N 1 3 398.320 2.922 20 0 GFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1cc(Br)ccc1F ZINC000449600971 564192331 /nfs/dbraw/zinc/19/23/31/564192331.db2.gz QAUGCQZSGCBGEL-RRQGHBQHSA-N 1 3 385.321 2.956 20 0 GFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1cc(Br)ccc1F ZINC000449600971 564192336 /nfs/dbraw/zinc/19/23/36/564192336.db2.gz QAUGCQZSGCBGEL-RRQGHBQHSA-N 1 3 385.321 2.956 20 0 GFADHO Cc1c([C@H](C)NCC[C@@H]2CC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000567638506 564381545 /nfs/dbraw/zinc/38/15/45/564381545.db2.gz MBVJTILLEKJXMT-JSGCOSHPSA-N 1 3 378.318 2.988 20 0 GFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000572393428 564593574 /nfs/dbraw/zinc/59/35/74/564593574.db2.gz JTDCDEVTUIWHSX-BBRMVZONSA-N 1 3 389.309 2.649 20 0 GFADHO CC[NH+](CC)CCOCCNCc1cccc(I)c1 ZINC000580848769 564776150 /nfs/dbraw/zinc/77/61/50/564776150.db2.gz OSZBBGKHORCNIR-UHFFFAOYSA-N 1 3 376.282 2.739 20 0 GFADHO C[C@H](NCCn1cc(Br)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000556922195 564846805 /nfs/dbraw/zinc/84/68/05/564846805.db2.gz UPKBOSHEISKWRT-AWEZNQCLSA-N 1 3 381.318 2.937 20 0 GFADHO CN1CC[NH+](CCCCNCc2c(F)ccc(Br)c2F)CC1 ZINC000583642819 564900677 /nfs/dbraw/zinc/90/06/77/564900677.db2.gz XBOLXFRMOIEAIO-UHFFFAOYSA-N 1 3 376.289 2.845 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000617507897 565244580 /nfs/dbraw/zinc/24/45/80/565244580.db2.gz NYDKVQQMUVJUSJ-GJZGRUSLSA-N 1 3 384.362 2.941 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000617507897 565244584 /nfs/dbraw/zinc/24/45/84/565244584.db2.gz NYDKVQQMUVJUSJ-GJZGRUSLSA-N 1 3 384.362 2.941 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(F)cc1Br ZINC000617507056 565244642 /nfs/dbraw/zinc/24/46/42/565244642.db2.gz GOTBBFIJYCAFDB-ZDUSSCGKSA-N 1 3 388.325 2.519 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(F)cc1Br ZINC000617507056 565244646 /nfs/dbraw/zinc/24/46/46/565244646.db2.gz GOTBBFIJYCAFDB-ZDUSSCGKSA-N 1 3 388.325 2.519 20 0 GFADHO CN1CCC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@H]1c1cccs1 ZINC000662743931 565383379 /nfs/dbraw/zinc/38/33/79/565383379.db2.gz ABHOXHHFZXZZNT-IVMMDQJWSA-N 1 3 375.460 2.789 20 0 GFADHO C[NH+](C)[C@H]1C[C@@H](CNCc2c(F)ccc(I)c2F)C1 ZINC000594511685 565397084 /nfs/dbraw/zinc/39/70/84/565397084.db2.gz GTKVGMDCVCPRIE-AOOOYVTPSA-N 1 3 380.220 2.999 20 0 GFADHO CCN1CCC(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000644527423 565480892 /nfs/dbraw/zinc/48/08/92/565480892.db2.gz RNJMAMUHPOVKMN-UHFFFAOYSA-N 1 3 389.359 2.544 20 0 GFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1ccc(I)s1 ZINC000602549532 565854176 /nfs/dbraw/zinc/85/41/76/565854176.db2.gz DJATWFCZUUKXMB-GFCCVEGCSA-N 1 3 394.322 2.679 20 0 GFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1ccc(I)s1 ZINC000602549532 565854178 /nfs/dbraw/zinc/85/41/78/565854178.db2.gz DJATWFCZUUKXMB-GFCCVEGCSA-N 1 3 394.322 2.679 20 0 GFADHO COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000826157601 608378164 /nfs/dbraw/zinc/37/81/64/608378164.db2.gz CLGBHNIWUGNYMC-UHFFFAOYSA-N 1 3 390.507 2.576 20 0 GFADHO COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000826157601 608378166 /nfs/dbraw/zinc/37/81/66/608378166.db2.gz CLGBHNIWUGNYMC-UHFFFAOYSA-N 1 3 390.507 2.576 20 0 GFADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000124962742 654784829 /nfs/dbraw/zinc/78/48/29/654784829.db2.gz NMAUCCIFMBTFIZ-INIZCTEOSA-N 1 3 395.345 2.979 20 0 GFADHO CN(Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000277329171 655313277 /nfs/dbraw/zinc/31/32/77/655313277.db2.gz CNWAYGMPZXTLHR-QZTJIDSGSA-N 1 3 383.330 2.891 20 0 GFADHO CN(Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000277329171 655313280 /nfs/dbraw/zinc/31/32/80/655313280.db2.gz CNWAYGMPZXTLHR-QZTJIDSGSA-N 1 3 383.330 2.891 20 0 GFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC=C(Br)C3)CC2)CC1 ZINC000848037370 661622239 /nfs/dbraw/zinc/62/22/39/661622239.db2.gz XGUHGOQINCOPIY-UHFFFAOYSA-N 1 3 384.362 2.694 20 0 GFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(Br)cc1 ZINC000849088016 661691616 /nfs/dbraw/zinc/69/16/16/661691616.db2.gz NGGFZPOZNVOQDB-ZFWWWQNUSA-N 1 3 383.334 2.815 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CSc1nc2ccccc2s1 ZINC000855345501 661987185 /nfs/dbraw/zinc/98/71/85/661987185.db2.gz CDHROJDMEOGQDR-AWEZNQCLSA-N 1 3 380.583 2.777 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CSc1nc2ccccc2s1 ZINC000855345501 661987190 /nfs/dbraw/zinc/98/71/90/661987190.db2.gz CDHROJDMEOGQDR-AWEZNQCLSA-N 1 3 380.583 2.777 20 0 GFADHO C[C@@H](N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC000873268282 662804771 /nfs/dbraw/zinc/80/47/71/662804771.db2.gz BQBOXNWMCYWWCJ-ABAIWWIYSA-N 1 3 387.343 2.645 20 0 GFADHO COCC[C@@H](N)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000884308538 663068646 /nfs/dbraw/zinc/06/86/46/663068646.db2.gz UMDSUPMAJLTWFL-MRXNPFEDSA-N 1 3 376.328 2.638 20 0 GFADHO CN1CCC([NH+]2CCC(NCc3cnc(CC(F)(F)F)s3)CC2)CC1 ZINC000892762829 663383939 /nfs/dbraw/zinc/38/39/39/663383939.db2.gz KITLWHQOWWPZIV-UHFFFAOYSA-N 1 3 376.492 2.896 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925566011 664673107 /nfs/dbraw/zinc/67/31/07/664673107.db2.gz BFEYZJFYTOEOGG-JKSUJKDBSA-N 1 3 380.330 2.657 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3Br)CC2)CC1 ZINC000050802332 551161778 /nfs/dbraw/zinc/16/17/78/551161778.db2.gz VMPOVQFWSXVIBG-UHFFFAOYSA-N 1 3 380.330 2.738 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000050802489 551161790 /nfs/dbraw/zinc/16/17/90/551161790.db2.gz VSDULUSHVBKTOS-UHFFFAOYSA-N 1 3 380.330 2.738 20 0 GFADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Br)cc1 ZINC000150942429 551404423 /nfs/dbraw/zinc/40/44/23/551404423.db2.gz YOKPJVWOKSMYSG-LJQANCHMSA-N 1 3 398.389 2.880 20 0 GFADHO CCN1CC[NH+](CCCCN[C@H](C)c2ncc(Br)s2)CC1 ZINC000179203930 552186627 /nfs/dbraw/zinc/18/66/27/552186627.db2.gz VRBZFMMNFZCGPY-CYBMUJFWSA-N 1 3 375.380 2.974 20 0 GFADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000418597962 563220930 /nfs/dbraw/zinc/22/09/30/563220930.db2.gz IDTIYPGFTIVMSK-WMLDXEAASA-N 1 3 397.361 2.663 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418589146 563220987 /nfs/dbraw/zinc/22/09/87/563220987.db2.gz SKNATSCXIJYDJN-IAGOWNOFSA-N 1 3 397.361 2.792 20 0 GFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422789675 563350157 /nfs/dbraw/zinc/35/01/57/563350157.db2.gz BKVHAJXOMVAFRG-XFKAJCMBSA-N 1 3 383.330 2.963 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423154269 563356948 /nfs/dbraw/zinc/35/69/48/563356948.db2.gz JEKLYEUOVXPAHX-ZQIUZPCESA-N 1 3 385.346 2.586 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423154269 563356951 /nfs/dbraw/zinc/35/69/51/563356951.db2.gz JEKLYEUOVXPAHX-ZQIUZPCESA-N 1 3 385.346 2.586 20 0 GFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1Br ZINC000423471890 563361420 /nfs/dbraw/zinc/36/14/20/563361420.db2.gz ZVWVUDAYBFOOFZ-XZOAIXRZSA-N 1 3 380.330 2.747 20 0 GFADHO NCC(=O)N1CCC[C@H](C[NH2+]CC2(c3cccc(Br)c3)CCC2)C1 ZINC000415084376 563758530 /nfs/dbraw/zinc/75/85/30/563758530.db2.gz RCIKYNUUDYOICU-OAHLLOKOSA-N 1 3 394.357 2.658 20 0 GFADHO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415086847 563758649 /nfs/dbraw/zinc/75/86/49/563758649.db2.gz VDOFVEVIYMDYIA-OAHLLOKOSA-N 1 3 382.346 2.557 20 0 GFADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000367244958 563837826 /nfs/dbraw/zinc/83/78/26/563837826.db2.gz URGDHXJIPHCFJR-FCLVOEFKSA-N 1 3 397.357 2.962 20 0 GFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000367244958 563837828 /nfs/dbraw/zinc/83/78/28/563837828.db2.gz URGDHXJIPHCFJR-FCLVOEFKSA-N 1 3 397.357 2.962 20 0 GFADHO CN(C)[C@@]1(C[NH2+]Cc2c(Cl)cccc2N2CCN(C)CC2)CCSC1 ZINC000539977575 564234263 /nfs/dbraw/zinc/23/42/63/564234263.db2.gz LIBKQYWHPARXDC-LJQANCHMSA-N 1 3 383.005 2.619 20 0 GFADHO COCCC[NH+]1CCC(NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000514668237 564453775 /nfs/dbraw/zinc/45/37/75/564453775.db2.gz BBZIPHWJFSIJDY-UHFFFAOYSA-N 1 3 398.345 2.868 20 0 GFADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232110 564454397 /nfs/dbraw/zinc/45/43/97/564454397.db2.gz JYELKKIIMJZPIL-ZBFHGGJFSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232110 564454400 /nfs/dbraw/zinc/45/44/00/564454400.db2.gz JYELKKIIMJZPIL-ZBFHGGJFSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1=CCN(C)CC1 ZINC000519597214 564583435 /nfs/dbraw/zinc/58/34/35/564583435.db2.gz QISSHUQGDJDLTB-WBMJQRKESA-N 1 3 387.293 2.568 20 0 GFADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000572665064 564604408 /nfs/dbraw/zinc/60/44/08/564604408.db2.gz DBYBLNGZGGBTKD-QGZVFWFLSA-N 1 3 380.374 2.924 20 0 GFADHO C[C@@H]1C[N@H+](CCOc2ccc(Br)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490699923 564780446 /nfs/dbraw/zinc/78/04/46/564780446.db2.gz OMWHIOVQYYGIMW-APWZRJJASA-N 1 3 396.373 2.786 20 0 GFADHO C[C@@H]1C[N@@H+](CCOc2ccc(Br)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490699923 564780451 /nfs/dbraw/zinc/78/04/51/564780451.db2.gz OMWHIOVQYYGIMW-APWZRJJASA-N 1 3 396.373 2.786 20 0 GFADHO Brc1ccc(C2([NH2+]C[C@H]3CCC4(CNC4)O3)CCOCC2)cc1 ZINC000662258460 565358044 /nfs/dbraw/zinc/35/80/44/565358044.db2.gz JBMKVRLEJDOZKP-MRXNPFEDSA-N 1 3 381.314 2.565 20 0 GFADHO C[C@@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)C[NH2+]1 ZINC000627196810 565726222 /nfs/dbraw/zinc/72/62/22/565726222.db2.gz VUSFLTSOLBEFRS-RHSMWYFYSA-N 1 3 397.361 2.663 20 0 GFADHO COc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1-c1nnn[n-]1 ZINC000826194249 607484429 /nfs/dbraw/zinc/48/44/29/607484429.db2.gz GRSIIPCTRLVTRO-UHFFFAOYSA-N 1 3 384.528 2.963 20 0 GFADHO CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821189606 606211585 /nfs/dbraw/zinc/21/15/85/606211585.db2.gz QBTKLHRLRZQRAO-UHFFFAOYSA-N 1 3 386.525 2.939 20 0 GFADHO COc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1Br ZINC000127944276 654837927 /nfs/dbraw/zinc/83/79/27/654837927.db2.gz JNOOPSDXIIMSOR-ZFWWWQNUSA-N 1 3 398.345 2.696 20 0 GFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000131461229 654907856 /nfs/dbraw/zinc/90/78/56/654907856.db2.gz UIASIPNNMCWUEG-OCCSQVGLSA-N 1 3 386.309 2.826 20 0 GFADHO O=S1(=O)CCC(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000877012541 662869558 /nfs/dbraw/zinc/86/95/58/662869558.db2.gz WPNVVLZOVHYQLQ-UHFFFAOYSA-N 1 3 384.973 2.966 20 0 GFADHO COc1ccc(Br)cc1C1(NC[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903764454 663806090 /nfs/dbraw/zinc/80/60/90/663806090.db2.gz RXLWFLHJMWDXMD-YOEHRIQHSA-N 1 3 381.314 2.805 20 0 GFADHO COc1ccc([C@H](C)NC[C@H](C[NH3+])Cc2cnn(C)c2C)cc1Br ZINC000903919523 663811689 /nfs/dbraw/zinc/81/16/89/663811689.db2.gz DJZRCBVQTZXUSY-JSGCOSHPSA-N 1 3 395.345 2.968 20 0 GFADHO Cc1c(Br)cncc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922388431 664598060 /nfs/dbraw/zinc/59/80/60/664598060.db2.gz DWJFCTIHMXREBG-TVFCKZIOSA-N 1 3 382.346 2.722 20 0 GFADHO Cc1c(Br)cncc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922388431 664598063 /nfs/dbraw/zinc/59/80/63/664598063.db2.gz DWJFCTIHMXREBG-TVFCKZIOSA-N 1 3 382.346 2.722 20 0 GFADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999495 664664983 /nfs/dbraw/zinc/66/49/83/664664983.db2.gz JDFLXSADWZPBQP-RHSMWYFYSA-N 1 3 394.357 2.790 20 0 GFADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999495 664664985 /nfs/dbraw/zinc/66/49/85/664664985.db2.gz JDFLXSADWZPBQP-RHSMWYFYSA-N 1 3 394.357 2.790 20 0 GFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3c1CCNC3)C2 ZINC001164820205 720155131 /nfs/dbraw/zinc/15/51/31/720155131.db2.gz ZSYSUMONQMSZJF-HRAATJIYSA-N 1 3 390.959 2.565 20 0 GFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3c1CCNC3)C2 ZINC001164820205 720155136 /nfs/dbraw/zinc/15/51/36/720155136.db2.gz ZSYSUMONQMSZJF-HRAATJIYSA-N 1 3 390.959 2.565 20 0 GFADHO Cc1cc2ccccc2c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164875389 721278900 /nfs/dbraw/zinc/27/89/00/721278900.db2.gz VZGMCKOFEPKKNP-UHFFFAOYSA-N 1 3 396.535 2.550 20 0 GFADHO Cc1cc2ccccc2c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164875389 721278904 /nfs/dbraw/zinc/27/89/04/721278904.db2.gz VZGMCKOFEPKKNP-UHFFFAOYSA-N 1 3 396.535 2.550 20 0 GFADHO CN(Cc1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)nc1)C1CC1 ZINC001164958022 722051345 /nfs/dbraw/zinc/05/13/45/722051345.db2.gz AKWVNUUWJHTXMA-XQFWAAQXSA-N 1 3 393.535 2.976 20 0 GFADHO C[C@@H](Cc1ccccc1Br)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000152612964 551436527 /nfs/dbraw/zinc/43/65/27/551436527.db2.gz WYUNTRKZTYKPEL-HNNXBMFYSA-N 1 3 399.377 2.515 20 0 GFADHO Brc1ccccc1N1CC[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422700825 563348196 /nfs/dbraw/zinc/34/81/96/563348196.db2.gz ASXYXWXRFIUYCN-BURFUSLBSA-N 1 3 394.357 2.775 20 0 GFADHO CCOC(=O)C1([C@@H](C)NCc2cc(F)ccc2Br)CC[NH2+]CC1 ZINC000422945765 563351385 /nfs/dbraw/zinc/35/13/85/563351385.db2.gz NUHFEAMQNIKIHD-GFCCVEGCSA-N 1 3 387.293 2.999 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422945707 563351574 /nfs/dbraw/zinc/35/15/74/563351574.db2.gz NNFNHSVJEMFGDD-USJZOSNVSA-N 1 3 382.346 2.617 20 0 GFADHO CCOC(=O)C1([C@@H](C)NCc2ccc(Br)cc2OC)CC[NH2+]CC1 ZINC000423061757 563354047 /nfs/dbraw/zinc/35/40/47/563354047.db2.gz LLYQORQSIUOXDQ-CYBMUJFWSA-N 1 3 399.329 2.869 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1Br ZINC000423161993 563357759 /nfs/dbraw/zinc/35/77/59/563357759.db2.gz ONMHRKCPVJMTKV-JLJPHGGASA-N 1 3 385.346 2.586 20 0 GFADHO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCNCC[C@@H]2C)cc1Br ZINC000423161993 563357763 /nfs/dbraw/zinc/35/77/63/563357763.db2.gz ONMHRKCPVJMTKV-JLJPHGGASA-N 1 3 385.346 2.586 20 0 GFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)cc1F ZINC000423448220 563361021 /nfs/dbraw/zinc/36/10/21/563361021.db2.gz DWKWMXZZPGOWFA-ONUMYQOESA-N 1 3 398.320 2.886 20 0 GFADHO COC[C@@H](CCC[NH3+])NCc1cc(Cl)cc(I)c1 ZINC000424373985 563377109 /nfs/dbraw/zinc/37/71/09/563377109.db2.gz ILJBQGWKXKCNCJ-CYBMUJFWSA-N 1 3 382.673 2.788 20 0 GFADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000363787096 563733355 /nfs/dbraw/zinc/73/33/55/563733355.db2.gz VYBMRDIQNSWENN-INIZCTEOSA-N 1 3 385.599 2.611 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000414673671 563749292 /nfs/dbraw/zinc/74/92/92/563749292.db2.gz JEYBQTYFFMRHQT-YOEHRIQHSA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000414673671 563749295 /nfs/dbraw/zinc/74/92/95/563749295.db2.gz JEYBQTYFFMRHQT-YOEHRIQHSA-N 1 3 380.330 2.783 20 0 GFADHO CC[C@@H](Cc1ccccc1Br)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414743973 563752009 /nfs/dbraw/zinc/75/20/09/563752009.db2.gz NUNAJORTWBHELR-WBVHZDCISA-N 1 3 396.373 2.899 20 0 GFADHO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414743973 563752012 /nfs/dbraw/zinc/75/20/12/563752012.db2.gz NUNAJORTWBHELR-WBVHZDCISA-N 1 3 396.373 2.899 20 0 GFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1cc(Br)ccc1F ZINC000449600972 564191964 /nfs/dbraw/zinc/19/19/64/564191964.db2.gz QAUGCQZSGCBGEL-XKQJLSEDSA-N 1 3 385.321 2.956 20 0 GFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cc(Br)ccc1F ZINC000449600972 564191965 /nfs/dbraw/zinc/19/19/65/564191965.db2.gz QAUGCQZSGCBGEL-XKQJLSEDSA-N 1 3 385.321 2.956 20 0 GFADHO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCOCCN(C)C ZINC000479459127 564440836 /nfs/dbraw/zinc/44/08/36/564440836.db2.gz ZRLHKWYTCXQWFN-AWEZNQCLSA-N 1 3 390.309 2.780 20 0 GFADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(Br)cc2)[C@@H]2CCC[C@H]21 ZINC000552226044 564682697 /nfs/dbraw/zinc/68/26/97/564682697.db2.gz USVBXYNWXASQNG-YESZJQIVSA-N 1 3 380.330 2.641 20 0 GFADHO C[N@H+]1CC[C@H](NCCNC(=O)c2ccc(Br)cc2)[C@@H]2CCC[C@H]21 ZINC000552226044 564682702 /nfs/dbraw/zinc/68/27/02/564682702.db2.gz USVBXYNWXASQNG-YESZJQIVSA-N 1 3 380.330 2.641 20 0 GFADHO C[C@@H]1C[N@H+](CCOc2cccc(Br)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490983269 564784346 /nfs/dbraw/zinc/78/43/46/564784346.db2.gz BTXZGERAXIQFHY-APWZRJJASA-N 1 3 396.373 2.786 20 0 GFADHO C[C@@H]1C[N@@H+](CCOc2cccc(Br)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490983269 564784349 /nfs/dbraw/zinc/78/43/49/564784349.db2.gz BTXZGERAXIQFHY-APWZRJJASA-N 1 3 396.373 2.786 20 0 GFADHO CN1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638413017 565195589 /nfs/dbraw/zinc/19/55/89/565195589.db2.gz VYTFNMKQCGIVOU-IPMKNSEASA-N 1 3 396.373 2.631 20 0 GFADHO Brc1cccc(C2([NH2+]C[C@@H]3CCC4(CNC4)O3)CCOCC2)c1 ZINC000662259039 565357718 /nfs/dbraw/zinc/35/77/18/565357718.db2.gz OUZWPRBLHYYFAS-INIZCTEOSA-N 1 3 381.314 2.565 20 0 GFADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466022 565422678 /nfs/dbraw/zinc/42/26/78/565422678.db2.gz NDBNINFGEIDZME-GDBMZVCRSA-N 1 3 382.346 2.711 20 0 GFADHO O=S1(=O)CC[C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cc(Br)ccc21 ZINC000643549146 565435423 /nfs/dbraw/zinc/43/54/23/565435423.db2.gz JARPTPFRVAYERX-GMZLATJGSA-N 1 3 399.354 2.645 20 0 GFADHO C[NH+]1CCC(N2CC[C@@H](NCc3ccc(Br)c(F)c3F)C2)CC1 ZINC000623415896 565509542 /nfs/dbraw/zinc/50/95/42/565509542.db2.gz BMSOYKVKGSYFIZ-CYBMUJFWSA-N 1 3 388.300 2.985 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2c1cccc2Br ZINC000665763469 565510696 /nfs/dbraw/zinc/51/06/96/565510696.db2.gz BMCKREZDCSIUBJ-AWEZNQCLSA-N 1 3 397.361 2.793 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2c1cccc2Br ZINC000665763469 565510698 /nfs/dbraw/zinc/51/06/98/565510698.db2.gz BMCKREZDCSIUBJ-AWEZNQCLSA-N 1 3 397.361 2.793 20 0 GFADHO Cc1c(F)c(Br)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000667503069 565590228 /nfs/dbraw/zinc/59/02/28/565590228.db2.gz YWKJDZOHFKGKKM-UHFFFAOYSA-N 1 3 389.313 2.854 20 0 GFADHO O[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000819063009 660245058 /nfs/dbraw/zinc/24/50/58/660245058.db2.gz VMXXXJUQZOQAEV-MAUKXSAKSA-N 1 3 383.330 2.716 20 0 GFADHO O[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000819063011 660245218 /nfs/dbraw/zinc/24/52/18/660245218.db2.gz VMXXXJUQZOQAEV-YJBOKZPZSA-N 1 3 383.330 2.716 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418338631 655405617 /nfs/dbraw/zinc/40/56/17/655405617.db2.gz LLHUCPKWRVVIOJ-HNNXBMFYSA-N 1 3 397.361 2.522 20 0 GFADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+]Cc2occc2Br)CC1 ZINC000751148285 655822116 /nfs/dbraw/zinc/82/21/16/655822116.db2.gz QPXSNPGTPCABBJ-UHFFFAOYSA-N 1 3 386.334 2.758 20 0 GFADHO Cc1cc(Br)ccc1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855345443 661987159 /nfs/dbraw/zinc/98/71/59/661987159.db2.gz ALZSKECKAGWKEN-HNNXBMFYSA-N 1 3 384.362 2.688 20 0 GFADHO Cc1cc(Br)ccc1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855345443 661987163 /nfs/dbraw/zinc/98/71/63/661987163.db2.gz ALZSKECKAGWKEN-HNNXBMFYSA-N 1 3 384.362 2.688 20 0 GFADHO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC2(C1)CC[NH2+]CC2 ZINC000863543358 662335961 /nfs/dbraw/zinc/33/59/61/662335961.db2.gz YPTRTFTXNBMXDL-INIZCTEOSA-N 1 3 378.314 2.778 20 0 GFADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(CCSc2cccc(Cl)c2)CC1 ZINC000863548298 662336170 /nfs/dbraw/zinc/33/61/70/662336170.db2.gz PBRMGZAQCOGDGU-SJORKVTESA-N 1 3 381.929 2.689 20 0 GFADHO C[NH+]1CCC(CNCc2ccc(S(C)(=O)=O)s2)(c2ccccc2)CC1 ZINC000865774701 662442665 /nfs/dbraw/zinc/44/26/65/662442665.db2.gz LCLHVRNFCSMOIM-UHFFFAOYSA-N 1 3 378.563 2.905 20 0 GFADHO Cc1c(C[C@@H](CN)C[NH2+][C@@H](C)Cc2ccccc2Br)cnn1C ZINC000903920423 663811672 /nfs/dbraw/zinc/81/16/72/663811672.db2.gz JHRPOYANUYJGIF-ZFWWWQNUSA-N 1 3 379.346 2.829 20 0 GFADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418569274 563220312 /nfs/dbraw/zinc/22/03/12/563220312.db2.gz HVAPTMZNZOKBLE-RHSMWYFYSA-N 1 3 397.361 2.520 20 0 GFADHO Brc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422700746 563348153 /nfs/dbraw/zinc/34/81/53/563348153.db2.gz ANABCTZMIQJLIO-WZGPROSRSA-N 1 3 394.357 2.775 20 0 GFADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)COc1ccccc1Br ZINC000422937672 563351882 /nfs/dbraw/zinc/35/18/82/563351882.db2.gz JSHMEXKQXDUYGV-YQFWSFKMSA-N 1 3 383.330 2.699 20 0 GFADHO COc1ccc2c(c1)[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423388606 563360659 /nfs/dbraw/zinc/36/06/59/563360659.db2.gz MZHOWUNGKDZDQO-ZBFHGGJFSA-N 1 3 375.460 2.658 20 0 GFADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423541282 563362221 /nfs/dbraw/zinc/36/22/21/563362221.db2.gz RUHRSQMHRCGQLN-SNVBAGLBSA-N 1 3 378.325 2.601 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000414673670 563749348 /nfs/dbraw/zinc/74/93/48/563749348.db2.gz JEYBQTYFFMRHQT-WMLDXEAASA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000414673670 563749350 /nfs/dbraw/zinc/74/93/50/563749350.db2.gz JEYBQTYFFMRHQT-WMLDXEAASA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@@H](CN2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000414689672 563750358 /nfs/dbraw/zinc/75/03/58/563750358.db2.gz LQSSQVMIAKNMIS-WMLDXEAASA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000414689672 563750362 /nfs/dbraw/zinc/75/03/62/563750362.db2.gz LQSSQVMIAKNMIS-WMLDXEAASA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000414689672 563750365 /nfs/dbraw/zinc/75/03/65/563750365.db2.gz LQSSQVMIAKNMIS-WMLDXEAASA-N 1 3 380.330 2.783 20 0 GFADHO COc1cc(Cl)c(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000414995182 563756138 /nfs/dbraw/zinc/75/61/38/563756138.db2.gz WBCJVXHWNJUSQX-QAPCUYQASA-N 1 3 386.323 2.738 20 0 GFADHO CC1CCN(CCC[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000366265299 563803270 /nfs/dbraw/zinc/80/32/70/563803270.db2.gz FKQLFSRLYKVIEB-UHFFFAOYSA-N 1 3 385.599 2.613 20 0 GFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000486066110 564637419 /nfs/dbraw/zinc/63/74/19/564637419.db2.gz UMRSVJGTJKPCCO-RHSMWYFYSA-N 1 3 382.346 2.537 20 0 GFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000486066110 564637422 /nfs/dbraw/zinc/63/74/22/564637422.db2.gz UMRSVJGTJKPCCO-RHSMWYFYSA-N 1 3 382.346 2.537 20 0 GFADHO COc1cc(Cl)c(Cl)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000583424819 564891393 /nfs/dbraw/zinc/89/13/93/564891393.db2.gz UNBQIAISTUVLGE-UHFFFAOYSA-N 1 3 377.316 2.959 20 0 GFADHO CN1CCC(O)(C[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000638682103 565207401 /nfs/dbraw/zinc/20/74/01/565207401.db2.gz QKYGCMOGZQCURH-MSOLQXFVSA-N 1 3 396.373 2.631 20 0 GFADHO Brc1ccc(C2([NH2+]C[C@@H]3CCC4(CNC4)O3)CCOCC2)cc1 ZINC000662258457 565357945 /nfs/dbraw/zinc/35/79/45/565357945.db2.gz JBMKVRLEJDOZKP-INIZCTEOSA-N 1 3 381.314 2.565 20 0 GFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c(F)cncc1Br ZINC000668160279 565629850 /nfs/dbraw/zinc/62/98/50/565629850.db2.gz XVZRMHFKBUPASG-AWEZNQCLSA-N 1 3 387.341 2.831 20 0 GFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c(F)cncc1Br ZINC000668160279 565629853 /nfs/dbraw/zinc/62/98/53/565629853.db2.gz XVZRMHFKBUPASG-AWEZNQCLSA-N 1 3 387.341 2.831 20 0 GFADHO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC2(CC[NH2+]C2)CC1 ZINC000629532211 565857657 /nfs/dbraw/zinc/85/76/57/565857657.db2.gz RGSXRVRURKBZLX-MRXNPFEDSA-N 1 3 378.314 2.778 20 0 GFADHO O[C@H](CNCC1(c2ccc(Br)cc2)CCOCC1)C[NH+]1CCCC1 ZINC000629560074 565859576 /nfs/dbraw/zinc/85/95/76/565859576.db2.gz WXOKCCHXBKBDDV-GOSISDBHSA-N 1 3 397.357 2.544 20 0 GFADHO Cc1nn(-c2cccc(Br)c2)cc1CNCCOCC[NH+](C)C ZINC000655759825 566086870 /nfs/dbraw/zinc/08/68/70/566086870.db2.gz SFEIZWJFXNEGGJ-UHFFFAOYSA-N 1 3 381.318 2.611 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635443135 566213891 /nfs/dbraw/zinc/21/38/91/566213891.db2.gz FODAOANKGDPXKG-INIZCTEOSA-N 1 3 382.346 2.681 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635443135 566213895 /nfs/dbraw/zinc/21/38/95/566213895.db2.gz FODAOANKGDPXKG-INIZCTEOSA-N 1 3 382.346 2.681 20 0 GFADHO c1ccc(-c2nnn[n-]2)c(OCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000826519480 607750105 /nfs/dbraw/zinc/75/01/05/607750105.db2.gz AANAEMTVPLPBDR-UHFFFAOYSA-N 1 3 384.528 2.834 20 0 GFADHO c1ccc(-c2nn[n-]n2)c(OCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000826519480 607750106 /nfs/dbraw/zinc/75/01/06/607750106.db2.gz AANAEMTVPLPBDR-UHFFFAOYSA-N 1 3 384.528 2.834 20 0 GFADHO CC[N@H+](CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1)CC1CC1 ZINC000825419391 608211772 /nfs/dbraw/zinc/21/17/72/608211772.db2.gz OPISRNQGQKKVDR-OAQYLSRUSA-N 1 3 398.555 2.734 20 0 GFADHO CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1)CC1CC1 ZINC000825419391 608211773 /nfs/dbraw/zinc/21/17/73/608211773.db2.gz OPISRNQGQKKVDR-OAQYLSRUSA-N 1 3 398.555 2.734 20 0 GFADHO CC[N@H+](CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1)CC1CC1 ZINC000825419391 608211774 /nfs/dbraw/zinc/21/17/74/608211774.db2.gz OPISRNQGQKKVDR-OAQYLSRUSA-N 1 3 398.555 2.734 20 0 GFADHO CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1)CC1CC1 ZINC000825419391 608211775 /nfs/dbraw/zinc/21/17/75/608211775.db2.gz OPISRNQGQKKVDR-OAQYLSRUSA-N 1 3 398.555 2.734 20 0 GFADHO O[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000819063008 660244945 /nfs/dbraw/zinc/24/49/45/660244945.db2.gz VMXXXJUQZOQAEV-CRAIPNDOSA-N 1 3 383.330 2.716 20 0 GFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000819172585 660248500 /nfs/dbraw/zinc/24/85/00/660248500.db2.gz DTGKAVQBQPZEOG-GUDVDZBRSA-N 1 3 397.357 2.840 20 0 GFADHO Cc1cc(Br)ncc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000821817624 660334653 /nfs/dbraw/zinc/33/46/53/660334653.db2.gz RFELFEHCRCHOHX-ZDUSSCGKSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1cc(Br)ncc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000821817624 660334655 /nfs/dbraw/zinc/33/46/55/660334655.db2.gz RFELFEHCRCHOHX-ZDUSSCGKSA-N 1 3 386.338 2.546 20 0 GFADHO C[NH+]1CCC(N2CC[C@H](NCc3c(Cl)nc4cc(Cl)ccn43)C2)CC1 ZINC000796307072 658912259 /nfs/dbraw/zinc/91/22/59/658912259.db2.gz ZELIFUQZBFSVCW-AWEZNQCLSA-N 1 3 382.339 2.899 20 0 GFADHO C[C@@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000843364257 661378782 /nfs/dbraw/zinc/37/87/82/661378782.db2.gz XHUFWQGROOYDOM-CQSZACIVSA-N 1 3 380.330 2.702 20 0 GFADHO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000873274413 662804794 /nfs/dbraw/zinc/80/47/94/662804794.db2.gz DDHLHDOMUNVUFI-UIWVKPTASA-N 1 3 377.326 2.834 20 0 GFADHO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1CC(=O)NC1CC[NH+](C)CC1 ZINC000879055918 662914901 /nfs/dbraw/zinc/91/49/01/662914901.db2.gz HYIIYYMHEAPGQR-HOCLYGCPSA-N 1 3 394.357 2.837 20 0 GFADHO COc1ccc([C@@H](C)NC[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1Br ZINC000903919525 663811604 /nfs/dbraw/zinc/81/16/04/663811604.db2.gz DJZRCBVQTZXUSY-TZMCWYRMSA-N 1 3 395.345 2.968 20 0 GFADHO Cc1c(C[C@H](CN)C[NH2+][C@H](C)Cc2ccc(F)c(Br)c2)cnn1C ZINC000903923477 663811956 /nfs/dbraw/zinc/81/19/56/663811956.db2.gz VEIIPDSJPRGGOV-IUODEOHRSA-N 1 3 397.336 2.968 20 0 GFADHO C[N@H+](Cc1ccc(N2CCc3ncc(CN4CCCC4)n3CC2)nc1)C1CC1 ZINC001164736500 720585200 /nfs/dbraw/zinc/58/52/00/720585200.db2.gz MCYTWGQAWDBTSG-UHFFFAOYSA-N 1 3 380.540 2.531 20 0 GFADHO C[N@@H+](Cc1ccc(N2CCc3ncc(CN4CCCC4)n3CC2)nc1)C1CC1 ZINC001164736500 720585217 /nfs/dbraw/zinc/58/52/17/720585217.db2.gz MCYTWGQAWDBTSG-UHFFFAOYSA-N 1 3 380.540 2.531 20 0 GFADHO CCC[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000169225972 551634706 /nfs/dbraw/zinc/63/47/06/551634706.db2.gz XYZXONBGUBGEQJ-QGZVFWFLSA-N 1 3 398.345 2.536 20 0 GFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000566116580 564310664 /nfs/dbraw/zinc/31/06/64/564310664.db2.gz PXULMEJETGITRL-BNOWGMLFSA-N 1 3 391.737 2.915 20 0 GFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000566116580 564310669 /nfs/dbraw/zinc/31/06/69/564310669.db2.gz PXULMEJETGITRL-BNOWGMLFSA-N 1 3 391.737 2.915 20 0 GFADHO Brc1cccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423089827 563354929 /nfs/dbraw/zinc/35/49/29/563354929.db2.gz TUKMAGDYFYRIEA-DSLXNQLJSA-N 1 3 394.357 2.775 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423162029 563358034 /nfs/dbraw/zinc/35/80/34/563358034.db2.gz OTWKHEZYKFDSKJ-JJRVBVJISA-N 1 3 385.346 2.716 20 0 GFADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(Br)cc1Br ZINC000423200208 563358582 /nfs/dbraw/zinc/35/85/82/563358582.db2.gz DWEBPRUZDRFJLC-NSHDSACASA-N 1 3 391.151 2.767 20 0 GFADHO FC(F)(F)[C@@H](CN[C@@H]1CCc2cc(Br)ccc21)N1CC[NH2+]CC1 ZINC000423384547 563360590 /nfs/dbraw/zinc/36/05/90/563360590.db2.gz KATRZPRCDLJNDF-HUUCEWRRSA-N 1 3 392.263 2.862 20 0 GFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1Br ZINC000423471887 563361089 /nfs/dbraw/zinc/36/10/89/563361089.db2.gz ZVWVUDAYBFOOFZ-NJAPINKUSA-N 1 3 380.330 2.747 20 0 GFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(Br)cc1 ZINC000414204493 563722685 /nfs/dbraw/zinc/72/26/85/563722685.db2.gz WJWXJPZTPUELIU-INIZCTEOSA-N 1 3 396.373 2.896 20 0 GFADHO NCC(=O)N1CCC[C@H](CN2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000414689671 563750342 /nfs/dbraw/zinc/75/03/42/563750342.db2.gz LQSSQVMIAKNMIS-RHSMWYFYSA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000414689671 563750345 /nfs/dbraw/zinc/75/03/45/563750345.db2.gz LQSSQVMIAKNMIS-RHSMWYFYSA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000414689671 563750348 /nfs/dbraw/zinc/75/03/48/563750348.db2.gz LQSSQVMIAKNMIS-RHSMWYFYSA-N 1 3 380.330 2.783 20 0 GFADHO Cc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Br ZINC000414997630 563757074 /nfs/dbraw/zinc/75/70/74/563757074.db2.gz YLVMHTVGZZRBJV-CQSZACIVSA-N 1 3 380.252 2.683 20 0 GFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136664 563907312 /nfs/dbraw/zinc/90/73/12/563907312.db2.gz VTOLOEMQKOQPJO-LRDDRELGSA-N 1 3 398.320 2.753 20 0 GFADHO C[C@@H](NCCC(F)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540187373 564240529 /nfs/dbraw/zinc/24/05/29/564240529.db2.gz XLVVQXMFXWPHFY-CYBMUJFWSA-N 1 3 381.464 2.520 20 0 GFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474724608 564286870 /nfs/dbraw/zinc/28/68/70/564286870.db2.gz BZRKJYQQFUWZFI-YESZJQIVSA-N 1 3 386.005 2.873 20 0 GFADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479056584 564423803 /nfs/dbraw/zinc/42/38/03/564423803.db2.gz HVNNRVVDJXBCGH-SNVBAGLBSA-N 1 3 380.341 2.633 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000584173257 564924234 /nfs/dbraw/zinc/92/42/34/564924234.db2.gz GADJOBBFBSJRMF-JKSUJKDBSA-N 1 3 394.357 2.729 20 0 GFADHO CN(C)CCN(Cc1cccs1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000561338477 564991479 /nfs/dbraw/zinc/99/14/79/564991479.db2.gz LWEMPNJFYQYPON-KRWDZBQOSA-N 1 3 381.611 2.856 20 0 GFADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000562988321 565051266 /nfs/dbraw/zinc/05/12/66/565051266.db2.gz YDXORXZOXJVOBA-QGZVFWFLSA-N 1 3 385.346 2.899 20 0 GFADHO CC(C)(O)CN1CCC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000638857581 565215112 /nfs/dbraw/zinc/21/51/12/565215112.db2.gz CAHZXOLHPKHYIZ-UHFFFAOYSA-N 1 3 385.302 2.503 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000617505919 565242721 /nfs/dbraw/zinc/24/27/21/565242721.db2.gz VLZGTIHQAMYMQI-LBPRGKRZSA-N 1 3 377.863 2.943 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000617505919 565242724 /nfs/dbraw/zinc/24/27/24/565242724.db2.gz VLZGTIHQAMYMQI-LBPRGKRZSA-N 1 3 377.863 2.943 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cc(Br)ccc1F ZINC000617506788 565244036 /nfs/dbraw/zinc/24/40/36/565244036.db2.gz ZCJMYVCUCBCWET-ZDUSSCGKSA-N 1 3 388.325 2.519 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cc(Br)ccc1F ZINC000617506788 565244039 /nfs/dbraw/zinc/24/40/39/565244039.db2.gz ZCJMYVCUCBCWET-ZDUSSCGKSA-N 1 3 388.325 2.519 20 0 GFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000660651809 565286215 /nfs/dbraw/zinc/28/62/15/565286215.db2.gz CKQZVEPYZCPRRJ-SJLPKXTDSA-N 1 3 383.330 2.607 20 0 GFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000660651809 565286220 /nfs/dbraw/zinc/28/62/20/565286220.db2.gz CKQZVEPYZCPRRJ-SJLPKXTDSA-N 1 3 383.330 2.607 20 0 GFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000840764821 661185288 /nfs/dbraw/zinc/18/52/88/661185288.db2.gz AODZXJVJJJLDPN-FUHWJXTLSA-N 1 3 380.627 2.960 20 0 GFADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000840764821 661185295 /nfs/dbraw/zinc/18/52/95/661185295.db2.gz AODZXJVJJJLDPN-FUHWJXTLSA-N 1 3 380.627 2.960 20 0 GFADHO C[NH+](C)Cc1cc(CNC(=O)[C@@H](N)c2cccc(Br)c2)ccc1F ZINC000870889072 662705792 /nfs/dbraw/zinc/70/57/92/662705792.db2.gz VOQHOVGHBCOTOT-KRWDZBQOSA-N 1 3 394.288 2.966 20 0 GFADHO CN1CCN(C2CC[NH+](CCOc3ccc(Br)cc3)CC2)CC1 ZINC000879590483 662930188 /nfs/dbraw/zinc/93/01/88/662930188.db2.gz FBONEYDLXDAWFS-UHFFFAOYSA-N 1 3 382.346 2.540 20 0 GFADHO O[C@@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000905173807 663856662 /nfs/dbraw/zinc/85/66/62/663856662.db2.gz HRRMIBDAWIUARW-FHWLQOOXSA-N 1 3 397.357 2.840 20 0 GFADHO CN(Cc1ccc(N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1)C1CC1 ZINC001164692511 719760640 /nfs/dbraw/zinc/76/06/40/719760640.db2.gz UPUANANYQZCMOS-AVRDEDQJSA-N 1 3 397.498 2.869 20 0 GFADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4ncccc4CN4CCCC4)CC[N@@H+]3C2)c1 ZINC001164879865 721184938 /nfs/dbraw/zinc/18/49/38/721184938.db2.gz UWFIIYRFECTUEM-FCHUYYIVSA-N 1 3 393.535 2.552 20 0 GFADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4ncccc4CN4CCCC4)CC[N@H+]3C2)c1 ZINC001164879865 721184944 /nfs/dbraw/zinc/18/49/44/721184944.db2.gz UWFIIYRFECTUEM-FCHUYYIVSA-N 1 3 393.535 2.552 20 0 GFADHO C[C@H](Cc1ccc(Br)cc1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000153767108 551460258 /nfs/dbraw/zinc/46/02/58/551460258.db2.gz DLYRZZKDKZSHIB-OAHLLOKOSA-N 1 3 399.377 2.515 20 0 GFADHO CN1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188731990 552453997 /nfs/dbraw/zinc/45/39/97/552453997.db2.gz IMBUKVVKUGMSDA-HNNXBMFYSA-N 1 3 382.346 2.717 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000247104385 553118617 /nfs/dbraw/zinc/11/86/17/553118617.db2.gz SODCTSMTCMSWEW-DOTOQJQBSA-N 1 3 387.615 2.641 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[N@@H+](CC)C[C@@H]2C)s1 ZINC000247104385 553118621 /nfs/dbraw/zinc/11/86/21/553118621.db2.gz SODCTSMTCMSWEW-DOTOQJQBSA-N 1 3 387.615 2.641 20 0 GFADHO C[NH+]1CCC(O)(CNCc2cccc(Br)c2OC(F)F)CC1 ZINC000539711838 564226246 /nfs/dbraw/zinc/22/62/46/564226246.db2.gz DPDRTQUHELSZCE-UHFFFAOYSA-N 1 3 379.245 2.597 20 0 GFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422778148 563349733 /nfs/dbraw/zinc/34/97/33/563349733.db2.gz AFZPWPPVPOMAMT-WBVHZDCISA-N 1 3 385.599 2.572 20 0 GFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422778148 563349737 /nfs/dbraw/zinc/34/97/37/563349737.db2.gz AFZPWPPVPOMAMT-WBVHZDCISA-N 1 3 385.599 2.572 20 0 GFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422842661 563350017 /nfs/dbraw/zinc/35/00/17/563350017.db2.gz YUJSXJWJSZETIA-TXCZRRACSA-N 1 3 383.330 2.963 20 0 GFADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)COc1ccccc1Br ZINC000422937671 563351598 /nfs/dbraw/zinc/35/15/98/563351598.db2.gz JSHMEXKQXDUYGV-YALNPMBYSA-N 1 3 383.330 2.699 20 0 GFADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423466416 563361491 /nfs/dbraw/zinc/36/14/91/563361491.db2.gz ANTURAINSVJMGU-QWRGUYRKSA-N 1 3 380.341 2.824 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000414673667 563749255 /nfs/dbraw/zinc/74/92/55/563749255.db2.gz JEYBQTYFFMRHQT-PBHICJAKSA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000414673667 563749258 /nfs/dbraw/zinc/74/92/58/563749258.db2.gz JEYBQTYFFMRHQT-PBHICJAKSA-N 1 3 380.330 2.783 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC(N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000414928636 563754260 /nfs/dbraw/zinc/75/42/60/563754260.db2.gz NALRRBWBVTZVTL-UGSOOPFHSA-N 1 3 394.357 2.950 20 0 GFADHO COc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc(I)c1OC ZINC000414929423 563754443 /nfs/dbraw/zinc/75/44/43/563754443.db2.gz RJBQGJMFHBSTDM-NEPJUHHUSA-N 1 3 390.265 2.668 20 0 GFADHO CS[C@@H]1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@@H]1N(C)C ZINC000415948942 563801382 /nfs/dbraw/zinc/80/13/82/563801382.db2.gz FDEINCNFJZFVTM-UONOGXRCSA-N 1 3 376.448 2.673 20 0 GFADHO CSc1ccc([C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000416038795 563803770 /nfs/dbraw/zinc/80/37/70/563803770.db2.gz FKLXBAHRCRFXGK-ZIAGYGMSSA-N 1 3 378.464 2.590 20 0 GFADHO CN(C)CCOCC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000471556229 564197683 /nfs/dbraw/zinc/19/76/83/564197683.db2.gz BFZDZPWNWYVOMA-UHFFFAOYSA-N 1 3 384.362 2.581 20 0 GFADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000507364669 564227227 /nfs/dbraw/zinc/22/72/27/564227227.db2.gz WQVKJMBWYIRMHH-QGZVFWFLSA-N 1 3 385.346 2.993 20 0 GFADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000507364669 564227230 /nfs/dbraw/zinc/22/72/30/564227230.db2.gz WQVKJMBWYIRMHH-QGZVFWFLSA-N 1 3 385.346 2.993 20 0 GFADHO C[NH+](C)CCC1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000565875788 564299561 /nfs/dbraw/zinc/29/95/61/564299561.db2.gz RYXUZUUVPRIKPY-UHFFFAOYSA-N 1 3 393.329 2.621 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(Br)c1Cl ZINC000543738182 564362135 /nfs/dbraw/zinc/36/21/35/564362135.db2.gz BLYZJDJTUHODLV-UHFFFAOYSA-N 1 3 376.726 2.668 20 0 GFADHO C[NH+](C)[C@@]1(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCSC1 ZINC000481232505 564506780 /nfs/dbraw/zinc/50/67/80/564506780.db2.gz NTPKZQJBNBTTOS-MAUKXSAKSA-N 1 3 382.599 2.622 20 0 GFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000482548060 564545733 /nfs/dbraw/zinc/54/57/33/564545733.db2.gz LXLYDVXFQHJWNH-GXTWGEPZSA-N 1 3 386.309 2.826 20 0 GFADHO COc1cc([C@H](C)NCC2(SC)CC[NH+](C)CC2)ccc1S(C)(=O)=O ZINC000576990679 564722716 /nfs/dbraw/zinc/72/27/16/564722716.db2.gz PGMSTRAJAUELSH-AWEZNQCLSA-N 1 3 386.583 2.577 20 0 GFADHO COc1cc(C[NH2+]C[C@H](C)CN(C)C)cc(I)c1OC ZINC000491545857 564792812 /nfs/dbraw/zinc/79/28/12/564792812.db2.gz LIQVTOPWZZEQRW-NSHDSACASA-N 1 3 392.281 2.596 20 0 GFADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc(Cl)c1Br ZINC000555871669 564806786 /nfs/dbraw/zinc/80/67/86/564806786.db2.gz APJQTQOBAXGZTI-UHFFFAOYSA-N 1 3 390.753 2.976 20 0 GFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(Br)s1 ZINC000583111057 564876398 /nfs/dbraw/zinc/87/63/98/564876398.db2.gz GABABVPXWFLGLH-CYBMUJFWSA-N 1 3 375.380 2.754 20 0 GFADHO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCCOCC[NH+](C)C ZINC000499239614 564921443 /nfs/dbraw/zinc/92/14/43/564921443.db2.gz MGDJGAVPMVXQNL-UHFFFAOYSA-N 1 3 395.345 2.919 20 0 GFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc2c(c(Br)c1)OCO2 ZINC000657572852 565110027 /nfs/dbraw/zinc/11/00/27/565110027.db2.gz DOUOTPAQYFEEOJ-ZDUSSCGKSA-N 1 3 386.334 2.539 20 0 GFADHO CN(CCCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)CC[NH+](C)C ZINC000623087749 565495483 /nfs/dbraw/zinc/49/54/83/565495483.db2.gz GXCLIXQSLCCXCF-UHFFFAOYSA-N 1 3 385.343 2.547 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2ccc(Br)cc21 ZINC000665757176 565510995 /nfs/dbraw/zinc/51/09/95/565510995.db2.gz AKAQSRHWLNPQOD-AWEZNQCLSA-N 1 3 397.361 2.793 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2ccc(Br)cc21 ZINC000665757176 565510999 /nfs/dbraw/zinc/51/09/99/565510999.db2.gz AKAQSRHWLNPQOD-AWEZNQCLSA-N 1 3 397.361 2.793 20 0 GFADHO COc1c(Br)cc(CNCCOCCC[NH3+])cc1Br ZINC000629398546 565851032 /nfs/dbraw/zinc/85/10/32/565851032.db2.gz FHSLXKGXGFOUOY-UHFFFAOYSA-N 1 3 396.123 2.675 20 0 GFADHO CN1CCC([N@@H+]2CC[C@@H](NCc3ncc(Br)cc3Cl)C2)CC1 ZINC000631070272 565937975 /nfs/dbraw/zinc/93/79/75/565937975.db2.gz RZYDYHZPMUFOKJ-CYBMUJFWSA-N 1 3 387.753 2.756 20 0 GFADHO CN1CCC([N@H+]2CC[C@@H](NCc3ncc(Br)cc3Cl)C2)CC1 ZINC000631070272 565937980 /nfs/dbraw/zinc/93/79/80/565937980.db2.gz RZYDYHZPMUFOKJ-CYBMUJFWSA-N 1 3 387.753 2.756 20 0 GFADHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000635007302 566188699 /nfs/dbraw/zinc/18/86/99/566188699.db2.gz VYJUZUIWCKEBOJ-ATNRFADISA-N 1 3 377.326 2.834 20 0 GFADHO C[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000824598228 608280803 /nfs/dbraw/zinc/28/08/03/608280803.db2.gz CEMSXQZOJHKOAQ-MRXNPFEDSA-N 1 3 396.495 2.537 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000822835597 660355565 /nfs/dbraw/zinc/35/55/65/660355565.db2.gz UYOOQPHYZKMOEW-NSHDSACASA-N 1 3 376.332 2.969 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000822835597 660355567 /nfs/dbraw/zinc/35/55/67/660355567.db2.gz UYOOQPHYZKMOEW-NSHDSACASA-N 1 3 376.332 2.969 20 0 GFADHO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174715539 655206260 /nfs/dbraw/zinc/20/62/60/655206260.db2.gz PLAJUVWTEPEUGB-AWEZNQCLSA-N 1 3 387.355 2.890 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855346220 661987398 /nfs/dbraw/zinc/98/73/98/661987398.db2.gz RZEZDRCTEQZTNU-GUYCJALGSA-N 1 3 390.355 2.805 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855346220 661987401 /nfs/dbraw/zinc/98/74/01/661987401.db2.gz RZEZDRCTEQZTNU-GUYCJALGSA-N 1 3 390.355 2.805 20 0 GFADHO Cc1c(Br)cccc1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346664 661987458 /nfs/dbraw/zinc/98/74/58/661987458.db2.gz IOWVTWUGSXVKEF-AWEZNQCLSA-N 1 3 384.362 2.688 20 0 GFADHO Cc1c(Br)cccc1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346664 661987463 /nfs/dbraw/zinc/98/74/63/661987463.db2.gz IOWVTWUGSXVKEF-AWEZNQCLSA-N 1 3 384.362 2.688 20 0 GFADHO CN(Cc1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164873534 721159419 /nfs/dbraw/zinc/15/94/19/721159419.db2.gz INHIJPPKBYLYEU-YADHBBJMSA-N 1 3 393.535 2.551 20 0 GFADHO CN(Cc1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164873534 721159425 /nfs/dbraw/zinc/15/94/25/721159425.db2.gz INHIJPPKBYLYEU-YADHBBJMSA-N 1 3 393.535 2.551 20 0 GFADHO C[C@H](Cn1cc(Br)cn1)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000162509077 551608905 /nfs/dbraw/zinc/60/89/05/551608905.db2.gz ZPUFPYJCZYIEKR-CQSZACIVSA-N 1 3 381.318 2.764 20 0 GFADHO C[NH+](C)CCOCCNCc1ccc(Br)c(Br)c1 ZINC000231676350 553066350 /nfs/dbraw/zinc/06/63/50/553066350.db2.gz LTIPVRMIPJPKTN-UHFFFAOYSA-N 1 3 380.124 2.879 20 0 GFADHO O=S(=O)(c1c(Cl)cccc1Br)N1CCC2CCC(C1)[NH2+]2 ZINC000261708372 553156673 /nfs/dbraw/zinc/15/66/73/553156673.db2.gz JGVCQROCWIQWOT-ZJUUUORDSA-N 1 3 379.707 2.618 20 0 GFADHO C[C@H](C[NH3+])CNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000418480010 563218689 /nfs/dbraw/zinc/21/86/89/563218689.db2.gz BYXQPXNWJAMQNE-CQSZACIVSA-N 1 3 397.361 2.650 20 0 GFADHO C[C@@H](NCCC(C)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000297241223 563320810 /nfs/dbraw/zinc/32/08/10/563320810.db2.gz INGKHTGLQVQETO-CQSZACIVSA-N 1 3 377.501 2.613 20 0 GFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422789670 563350136 /nfs/dbraw/zinc/35/01/36/563350136.db2.gz BKVHAJXOMVAFRG-BVPBIZIASA-N 1 3 383.330 2.963 20 0 GFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(Br)c1 ZINC000423467291 563361312 /nfs/dbraw/zinc/36/13/12/563361312.db2.gz XJXWIYZFHKXIKR-ONUMYQOESA-N 1 3 398.320 2.886 20 0 GFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)c(F)c1 ZINC000423465528 563361447 /nfs/dbraw/zinc/36/14/47/563361447.db2.gz WOHHEDIEXKAGFA-LSKLOWJMSA-N 1 3 398.320 2.886 20 0 GFADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000430966245 563551076 /nfs/dbraw/zinc/55/10/76/563551076.db2.gz OGXNYCGKNNVILR-KGLIPLIRSA-N 1 3 382.346 2.855 20 0 GFADHO [NH3+]CC[C@H](NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C(F)(F)F ZINC000415997222 563801870 /nfs/dbraw/zinc/80/18/70/563801870.db2.gz RBPRTBPJOFFQJK-JSGCOSHPSA-N 1 3 378.464 2.539 20 0 GFADHO CN1CCC[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H]1c1cccs1 ZINC000416017229 563802449 /nfs/dbraw/zinc/80/24/49/563802449.db2.gz XXDVFPUVLFZAHW-XBFCOCLRSA-N 1 3 378.464 2.710 20 0 GFADHO C[C@H](C(=O)Nc1ccccc1Br)N(C)CCCN(C)CC[NH+](C)C ZINC000565445118 564281148 /nfs/dbraw/zinc/28/11/48/564281148.db2.gz QBWQTKZGRNWNOZ-OAHLLOKOSA-N 1 3 399.377 2.591 20 0 GFADHO Cc1c([C@H](C)NCC[C@H]2CC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000567638505 564381164 /nfs/dbraw/zinc/38/11/64/564381164.db2.gz MBVJTILLEKJXMT-GXTWGEPZSA-N 1 3 378.318 2.988 20 0 GFADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(F)c(I)c1 ZINC000453233617 564449969 /nfs/dbraw/zinc/44/99/69/564449969.db2.gz WPINGWGCTGYCAH-NSHDSACASA-N 1 3 380.245 2.659 20 0 GFADHO Cc1cc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)sc1Br ZINC000582407979 564845606 /nfs/dbraw/zinc/84/56/06/564845606.db2.gz FZYBPJMCLONNIW-HIFRSBDPSA-N 1 3 386.359 2.555 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000531118778 564902063 /nfs/dbraw/zinc/90/20/63/564902063.db2.gz CEXDCTBHDSHUQP-UHFFFAOYSA-N 1 3 377.476 2.749 20 0 GFADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000638521138 565200674 /nfs/dbraw/zinc/20/06/74/565200674.db2.gz YPXRHIDHCGFRDD-KRWDZBQOSA-N 1 3 396.373 2.853 20 0 GFADHO O=S1(=O)CC[C@@H](NCCC2CC[NH2+]CC2)c2cc(Br)ccc21 ZINC000650762481 565834365 /nfs/dbraw/zinc/83/43/65/565834365.db2.gz BKQWAAYHTNDRAL-OAHLLOKOSA-N 1 3 387.343 2.647 20 0 GFADHO COc1cc(CNCCC[N@@H+]2CCCN(C)CC2)c(F)cc1Br ZINC000631064499 565937098 /nfs/dbraw/zinc/93/70/98/565937098.db2.gz NSQYYSBRRDSRIQ-UHFFFAOYSA-N 1 3 388.325 2.714 20 0 GFADHO COc1cc(CNCCC[N@H+]2CCCN(C)CC2)c(F)cc1Br ZINC000631064499 565937104 /nfs/dbraw/zinc/93/71/04/565937104.db2.gz NSQYYSBRRDSRIQ-UHFFFAOYSA-N 1 3 388.325 2.714 20 0 GFADHO COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cc(-c4nnn[n-]4)cs3)CC2)cc1 ZINC000821794883 606215899 /nfs/dbraw/zinc/21/58/99/606215899.db2.gz OXXZVMQWQOPAGD-UHFFFAOYSA-N 1 3 398.536 2.939 20 0 GFADHO COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cc(-c4nn[n-]n4)cs3)CC2)cc1 ZINC000821794883 606215901 /nfs/dbraw/zinc/21/59/01/606215901.db2.gz OXXZVMQWQOPAGD-UHFFFAOYSA-N 1 3 398.536 2.939 20 0 GFADHO CCOC(=O)C1([C@@H](C)NCc2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000817891926 660211651 /nfs/dbraw/zinc/21/16/51/660211651.db2.gz QBBLTEXGCAOYCR-GFCCVEGCSA-N 1 3 387.293 2.999 20 0 GFADHO Cc1cnc(CCN(C)CCOCC[N@H+](C)CCc2ncc(C)s2)s1 ZINC000270176609 655036219 /nfs/dbraw/zinc/03/62/19/655036219.db2.gz UXPVQVQNWRSVGA-UHFFFAOYSA-N 1 3 382.599 2.882 20 0 GFADHO Cc1cnc(CCN(C)CCOCC[N@@H+](C)CCc2ncc(C)s2)s1 ZINC000270176609 655036223 /nfs/dbraw/zinc/03/62/23/655036223.db2.gz UXPVQVQNWRSVGA-UHFFFAOYSA-N 1 3 382.599 2.882 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccncc3Br)CC2)CC1 ZINC000275646122 655245456 /nfs/dbraw/zinc/24/54/56/655245456.db2.gz MWERXRJUWBDDDG-UHFFFAOYSA-N 1 3 396.333 2.524 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418327194 655405448 /nfs/dbraw/zinc/40/54/48/655405448.db2.gz YYJQIEFEMCYBCC-INIZCTEOSA-N 1 3 397.361 2.522 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000855346312 661987328 /nfs/dbraw/zinc/98/73/28/661987328.db2.gz WBCLDQDSLIIQES-NSHDSACASA-N 1 3 380.842 2.756 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000855346312 661987332 /nfs/dbraw/zinc/98/73/32/661987332.db2.gz WBCLDQDSLIIQES-NSHDSACASA-N 1 3 380.842 2.756 20 0 GFADHO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1CC(=O)NC1CC[NH+](C)CC1 ZINC000879055916 662914874 /nfs/dbraw/zinc/91/48/74/662914874.db2.gz HYIIYYMHEAPGQR-GDBMZVCRSA-N 1 3 394.357 2.837 20 0 GFADHO Clc1nc(N2CCOCC2)sc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000895352959 663509791 /nfs/dbraw/zinc/50/97/91/663509791.db2.gz UIVCXPYGAHHCPV-UHFFFAOYSA-N 1 3 384.977 2.845 20 0 GFADHO Cc1cc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388201 664598186 /nfs/dbraw/zinc/59/81/86/664598186.db2.gz CVVGPDPHFLZRIE-BRSBDYLESA-N 1 3 382.346 2.722 20 0 GFADHO Cc1cc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388201 664598188 /nfs/dbraw/zinc/59/81/88/664598188.db2.gz CVVGPDPHFLZRIE-BRSBDYLESA-N 1 3 382.346 2.722 20 0 GFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1CN1CCCC1)C2 ZINC001164815218 720198286 /nfs/dbraw/zinc/19/82/86/720198286.db2.gz XDQHSKWZBPZHGI-GMAHTHKFSA-N 1 3 384.568 2.862 20 0 GFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncccc1CN1CCCC1)C2 ZINC001164815218 720198289 /nfs/dbraw/zinc/19/82/89/720198289.db2.gz XDQHSKWZBPZHGI-GMAHTHKFSA-N 1 3 384.568 2.862 20 0 GFADHO C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2)CC1 ZINC001164725324 720472257 /nfs/dbraw/zinc/47/22/57/720472257.db2.gz JOYIALITIRMLHC-VXKWHMMOSA-N 1 3 393.535 2.803 20 0 GFADHO CN(Cc1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164873529 721159183 /nfs/dbraw/zinc/15/91/83/721159183.db2.gz INHIJPPKBYLYEU-FCHUYYIVSA-N 1 3 393.535 2.551 20 0 GFADHO CN(Cc1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164873529 721159189 /nfs/dbraw/zinc/15/91/89/721159189.db2.gz INHIJPPKBYLYEU-FCHUYYIVSA-N 1 3 393.535 2.551 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)CC1 ZINC000127456296 551340873 /nfs/dbraw/zinc/34/08/73/551340873.db2.gz RLLDPGNXJQVXGV-UHFFFAOYSA-N 1 3 385.339 2.864 20 0 GFADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(I)cc1 ZINC000151376883 551412455 /nfs/dbraw/zinc/41/24/55/551412455.db2.gz MNCPPKFGZSGENN-CYBMUJFWSA-N 1 3 388.293 2.789 20 0 GFADHO C[C@@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418693476 563222547 /nfs/dbraw/zinc/22/25/47/563222547.db2.gz UMQUXIDBNQIYCQ-AWEZNQCLSA-N 1 3 385.350 2.650 20 0 GFADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423445474 563361295 /nfs/dbraw/zinc/36/12/95/563361295.db2.gz XWJZEMBIESYJGS-SMDDNHRTSA-N 1 3 375.332 2.775 20 0 GFADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418584580 563220681 /nfs/dbraw/zinc/22/06/81/563220681.db2.gz CFRIFFVPGKOHPI-RHSMWYFYSA-N 1 3 397.361 2.520 20 0 GFADHO CS(=O)(=O)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1Cl ZINC000297293857 563323090 /nfs/dbraw/zinc/32/30/90/563323090.db2.gz ADOLMPBAMBOEJS-UHFFFAOYSA-N 1 3 379.913 2.897 20 0 GFADHO COC[C@H](CCC[NH3+])N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000423057455 563354149 /nfs/dbraw/zinc/35/41/49/563354149.db2.gz ZTQIFNXNRVPJCR-YOEHRIQHSA-N 1 3 398.345 2.596 20 0 GFADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Br)c1 ZINC000423394868 563360072 /nfs/dbraw/zinc/36/00/72/563360072.db2.gz SHDQXOOKTYWLLK-BXUZGUMPSA-N 1 3 380.252 2.936 20 0 GFADHO FC(F)(F)[C@H](CN[C@@H]1CCc2c1cccc2Br)N1CC[NH2+]CC1 ZINC000423387002 563360377 /nfs/dbraw/zinc/36/03/77/563360377.db2.gz LVSYKGLWXTUDGJ-CABCVRRESA-N 1 3 392.263 2.862 20 0 GFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(Br)c1 ZINC000414206207 563722456 /nfs/dbraw/zinc/72/24/56/563722456.db2.gz XZQJVDMGSAWXHH-MRXNPFEDSA-N 1 3 396.373 2.896 20 0 GFADHO COc1c(Cl)cc(Cl)cc1CN[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414984075 563755991 /nfs/dbraw/zinc/75/59/91/563755991.db2.gz FUFOZKZFYSWSKQ-WBVHZDCISA-N 1 3 386.323 2.738 20 0 GFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)cs1 ZINC000505806210 564190761 /nfs/dbraw/zinc/19/07/61/564190761.db2.gz DKBUXKADAXQVKB-AWEZNQCLSA-N 1 3 388.375 2.999 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449681568 564195712 /nfs/dbraw/zinc/19/57/12/564195712.db2.gz MCAGDCGOMRWKSK-BMGDILEWSA-N 1 3 397.357 2.825 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449681568 564195716 /nfs/dbraw/zinc/19/57/16/564195716.db2.gz MCAGDCGOMRWKSK-BMGDILEWSA-N 1 3 397.357 2.825 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(F)c1Br ZINC000525958598 564713479 /nfs/dbraw/zinc/71/34/79/564713479.db2.gz VXHTYWCAFRIIMC-UHFFFAOYSA-N 1 3 393.276 2.684 20 0 GFADHO CSC1(CNC(=O)N(CCN(C)C)Cc2cccs2)CC[NH+](C)CC1 ZINC000462514567 564845253 /nfs/dbraw/zinc/84/52/53/564845253.db2.gz QMRPTUGGQHUSHE-UHFFFAOYSA-N 1 3 384.615 2.649 20 0 GFADHO Cc1cc(Br)cn2c(CN(C)CCC[N@@H+](C)CCN(C)C)cnc12 ZINC000584059408 564918832 /nfs/dbraw/zinc/91/88/32/564918832.db2.gz OPDIDQOPLYVRQN-UHFFFAOYSA-N 1 3 396.377 2.721 20 0 GFADHO Cc1cc(Br)cn2c(CN(C)CCC[N@H+](C)CCN(C)C)cnc12 ZINC000584059408 564918835 /nfs/dbraw/zinc/91/88/35/564918835.db2.gz OPDIDQOPLYVRQN-UHFFFAOYSA-N 1 3 396.377 2.721 20 0 GFADHO Cc1cc(Br)cn2c(CN(C)CCCN(C)CC[NH+](C)C)cnc12 ZINC000584059408 564918840 /nfs/dbraw/zinc/91/88/40/564918840.db2.gz OPDIDQOPLYVRQN-UHFFFAOYSA-N 1 3 396.377 2.721 20 0 GFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000638521139 565200838 /nfs/dbraw/zinc/20/08/38/565200838.db2.gz YPXRHIDHCGFRDD-QGZVFWFLSA-N 1 3 396.373 2.853 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1cccc(Br)c1 ZINC000617503725 565242617 /nfs/dbraw/zinc/24/26/17/565242617.db2.gz WIYCBFCBRSZESL-HNNXBMFYSA-N 1 3 384.362 2.770 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1cccc(Br)c1 ZINC000617503725 565242619 /nfs/dbraw/zinc/24/26/19/565242619.db2.gz WIYCBFCBRSZESL-HNNXBMFYSA-N 1 3 384.362 2.770 20 0 GFADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632303 565486003 /nfs/dbraw/zinc/48/60/03/565486003.db2.gz WIYPOGKDEVDGBV-CABCVRRESA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632303 565486007 /nfs/dbraw/zinc/48/60/07/565486007.db2.gz WIYPOGKDEVDGBV-CABCVRRESA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cc(F)c(Br)cc1F ZINC000629650803 565865119 /nfs/dbraw/zinc/86/51/19/565865119.db2.gz FDKINWDAHNKRMS-MNOVXSKESA-N 1 3 390.272 2.575 20 0 GFADHO [NH3+]C[C@]12CCC[C@H]1CN(CCC(=O)Nc1ccc(Br)cc1F)C2 ZINC000652351214 565922710 /nfs/dbraw/zinc/92/27/10/565922710.db2.gz NDNHCNIICGGISX-SJCJKPOMSA-N 1 3 384.293 2.978 20 0 GFADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C2 ZINC000652351214 565922716 /nfs/dbraw/zinc/92/27/16/565922716.db2.gz NDNHCNIICGGISX-SJCJKPOMSA-N 1 3 384.293 2.978 20 0 GFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)C2 ZINC000652351214 565922720 /nfs/dbraw/zinc/92/27/20/565922720.db2.gz NDNHCNIICGGISX-SJCJKPOMSA-N 1 3 384.293 2.978 20 0 GFADHO C[NH+](C)CCCC[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736759478 598562011 /nfs/dbraw/zinc/56/20/11/598562011.db2.gz SCWWKIHEVKPGSB-UHFFFAOYSA-N 1 3 380.496 2.877 20 0 GFADHO C[NH+](C)CCCC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736759478 598562012 /nfs/dbraw/zinc/56/20/12/598562012.db2.gz SCWWKIHEVKPGSB-UHFFFAOYSA-N 1 3 380.496 2.877 20 0 GFADHO C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820426485 599375313 /nfs/dbraw/zinc/37/53/13/599375313.db2.gz KNZUKPIQXJGWSZ-INIZCTEOSA-N 1 3 380.496 2.700 20 0 GFADHO C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820426485 599375315 /nfs/dbraw/zinc/37/53/15/599375315.db2.gz KNZUKPIQXJGWSZ-INIZCTEOSA-N 1 3 380.496 2.700 20 0 GFADHO C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824984988 609138454 /nfs/dbraw/zinc/13/84/54/609138454.db2.gz QAHSWCORUOUSAE-ZNMIVQPWSA-N 1 3 376.480 2.546 20 0 GFADHO C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824984988 609138455 /nfs/dbraw/zinc/13/84/55/609138455.db2.gz QAHSWCORUOUSAE-ZNMIVQPWSA-N 1 3 376.480 2.546 20 0 GFADHO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824577523 609150942 /nfs/dbraw/zinc/15/09/42/609150942.db2.gz MCKGFJVGUDGRLJ-AWEZNQCLSA-N 1 3 381.459 2.968 20 0 GFADHO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824577523 609150944 /nfs/dbraw/zinc/15/09/44/609150944.db2.gz MCKGFJVGUDGRLJ-AWEZNQCLSA-N 1 3 381.459 2.968 20 0 GFADHO Cc1cc(Br)cc(CNCC2(O)CC[NH+](C)CC2)c1OC(F)F ZINC000272346883 655109874 /nfs/dbraw/zinc/10/98/74/655109874.db2.gz ULGCBBJCMABDFA-UHFFFAOYSA-N 1 3 393.272 2.905 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418327195 655405542 /nfs/dbraw/zinc/40/55/42/655405542.db2.gz YYJQIEFEMCYBCC-MRXNPFEDSA-N 1 3 397.361 2.522 20 0 GFADHO C[C@@H](C[NH+]1CCCC1)OC(=O)C1CCN(c2ccccc2Br)C1=O ZINC000845673140 661488355 /nfs/dbraw/zinc/48/83/55/661488355.db2.gz QGTMDRWOJNUWFF-KBPBESRZSA-N 1 3 395.297 2.830 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(SC(F)(F)F)nc1 ZINC000862166982 662271712 /nfs/dbraw/zinc/27/17/12/662271712.db2.gz OVXFTIPEDZNDQS-LBPRGKRZSA-N 1 3 378.464 2.695 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(SC(F)(F)F)nc1 ZINC000862166982 662271717 /nfs/dbraw/zinc/27/17/17/662271717.db2.gz OVXFTIPEDZNDQS-LBPRGKRZSA-N 1 3 378.464 2.695 20 0 GFADHO O[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)CN1CCCC1 ZINC000872027968 662754115 /nfs/dbraw/zinc/75/41/15/662754115.db2.gz OPQPZXYOFXTQEA-CGTJXYLNSA-N 1 3 383.330 2.573 20 0 GFADHO Cc1c(C[C@H](C[NH3+])CN[C@@H]2CCc3cc(Br)ccc32)cnn1C ZINC000903925264 663812020 /nfs/dbraw/zinc/81/20/20/663812020.db2.gz MTPBKTZOKSPKEH-FZKQIMNGSA-N 1 3 377.330 2.886 20 0 GFADHO C[C@@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1CC[NH3+] ZINC000903978128 663814602 /nfs/dbraw/zinc/81/46/02/663814602.db2.gz FZGXOCZRCGXLMJ-HUUCEWRRSA-N 1 3 382.346 2.702 20 0 GFADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905106211 663853646 /nfs/dbraw/zinc/85/36/46/663853646.db2.gz OGECHJAYQYDWLI-QGZVFWFLSA-N 1 3 388.339 2.559 20 0 GFADHO Cc1c(Br)cncc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922388428 664598076 /nfs/dbraw/zinc/59/80/76/664598076.db2.gz DWJFCTIHMXREBG-BDXSIMOUSA-N 1 3 382.346 2.722 20 0 GFADHO Cc1c(Br)cncc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922388428 664598079 /nfs/dbraw/zinc/59/80/79/664598079.db2.gz DWJFCTIHMXREBG-BDXSIMOUSA-N 1 3 382.346 2.722 20 0 GFADHO O=C1O[C@H](CN[C@@H]2CCc3sc(Br)cc32)CC12CC[NH2+]CC2 ZINC000925852025 664675996 /nfs/dbraw/zinc/67/59/96/664675996.db2.gz ZAIGHVPEDQONRA-CMPLNLGQSA-N 1 3 385.327 2.773 20 0 GFADHO c1ccc(N(c2ccc(CN3CCCC3)cn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)nc1 ZINC001164959726 722051180 /nfs/dbraw/zinc/05/11/80/722051180.db2.gz NKVHENMURBVEMB-VIZSFHNOSA-N 1 3 393.535 2.978 20 0 GFADHO C[C@H](Cc1cccc(Br)c1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000154142939 551468772 /nfs/dbraw/zinc/46/87/72/551468772.db2.gz YNOGVPFQSCIJEL-OAHLLOKOSA-N 1 3 399.377 2.515 20 0 GFADHO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCCN2CCCC2)CC1 ZINC000193474418 552994535 /nfs/dbraw/zinc/99/45/35/552994535.db2.gz HPZWZNLLFVWPBY-UHFFFAOYSA-N 1 3 395.345 2.981 20 0 GFADHO CCN1CCN(CCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000236942631 553073019 /nfs/dbraw/zinc/07/30/19/553073019.db2.gz QOAFQGPDWDBQBH-UHFFFAOYSA-N 1 3 394.357 2.842 20 0 GFADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000370573189 563248498 /nfs/dbraw/zinc/24/84/98/563248498.db2.gz AJNDGYMTLKMKAL-INIZCTEOSA-N 1 3 385.599 2.755 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422906802 563350804 /nfs/dbraw/zinc/35/08/04/563350804.db2.gz KKVSCRCJXXRDOW-PBHICJAKSA-N 1 3 382.346 2.905 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422906802 563350806 /nfs/dbraw/zinc/35/08/06/563350806.db2.gz KKVSCRCJXXRDOW-PBHICJAKSA-N 1 3 382.346 2.905 20 0 GFADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423268275 563359540 /nfs/dbraw/zinc/35/95/40/563359540.db2.gz FTFGFLPNOBMHLB-WDEREUQCSA-N 1 3 380.341 2.681 20 0 GFADHO Brc1cccc(-c2noc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c1 ZINC000323986703 563451453 /nfs/dbraw/zinc/45/14/53/563451453.db2.gz JXYAGOJFDNYUSR-OKILXGFUSA-N 1 3 377.286 2.931 20 0 GFADHO CN1CCC(C[NH2+]Cc2cscc2C(F)(F)F)(N2CCOCC2)CC1 ZINC000414484551 563744162 /nfs/dbraw/zinc/74/41/62/563744162.db2.gz NZRAUHRAEGPWHF-UHFFFAOYSA-N 1 3 377.476 2.653 20 0 GFADHO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414759384 563752540 /nfs/dbraw/zinc/75/25/40/563752540.db2.gz ODXTYNGIDJTODI-GDBMZVCRSA-N 1 3 394.357 2.783 20 0 GFADHO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414759384 563752542 /nfs/dbraw/zinc/75/25/42/563752542.db2.gz ODXTYNGIDJTODI-GDBMZVCRSA-N 1 3 394.357 2.783 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC(NC[C@H]([NH3+])C2CC2)CC1 ZINC000414895498 563753461 /nfs/dbraw/zinc/75/34/61/563753461.db2.gz XRXQZMNPPSPXRU-KRWDZBQOSA-N 1 3 380.330 2.689 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCNC[C@@H]2C)CC1 ZINC000414940803 563755389 /nfs/dbraw/zinc/75/53/89/563755389.db2.gz KLYPZAPAFHADOH-KBXCAEBGSA-N 1 3 394.357 2.950 20 0 GFADHO COCC1(CNCc2nc(-c3ccc(Br)cc3)c[nH]2)CC[NH2+]CC1 ZINC000414974659 563755531 /nfs/dbraw/zinc/75/55/31/563755531.db2.gz MMPGZJWVHVZMAZ-UHFFFAOYSA-N 1 3 393.329 2.945 20 0 GFADHO COCC1(CNCc2nc(-c3cccc(Br)c3)c[nH]2)CC[NH2+]CC1 ZINC000414981266 563756404 /nfs/dbraw/zinc/75/64/04/563756404.db2.gz WVXBMRNNWAVNBO-UHFFFAOYSA-N 1 3 393.329 2.945 20 0 GFADHO CN(CCOc1ccc(Br)cc1)CCN(C)C1CC[NH+](C)CC1 ZINC000540320032 564245422 /nfs/dbraw/zinc/24/54/22/564245422.db2.gz XQAZCLDBGCWRAE-UHFFFAOYSA-N 1 3 384.362 2.786 20 0 GFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccccc1Br ZINC000520507595 564606758 /nfs/dbraw/zinc/60/67/58/564606758.db2.gz IDDGJWNGSWGKNX-QGZVFWFLSA-N 1 3 396.373 2.866 20 0 GFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccccc1Br ZINC000520507595 564606763 /nfs/dbraw/zinc/60/67/63/564606763.db2.gz IDDGJWNGSWGKNX-QGZVFWFLSA-N 1 3 396.373 2.866 20 0 GFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc(Br)cs1 ZINC000493931809 564814051 /nfs/dbraw/zinc/81/40/51/564814051.db2.gz AABDALLXFIEPQC-AWEZNQCLSA-N 1 3 390.391 2.551 20 0 GFADHO Brc1cccc(OCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530239483 564873056 /nfs/dbraw/zinc/87/30/56/564873056.db2.gz GAUKOOZPCYOVLC-GOSISDBHSA-N 1 3 383.330 2.918 20 0 GFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)s1 ZINC000499511991 564929863 /nfs/dbraw/zinc/92/98/63/564929863.db2.gz CWCKOHHQQCVJFL-CYBMUJFWSA-N 1 3 388.375 2.999 20 0 GFADHO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)sc1Br ZINC000617506538 565243908 /nfs/dbraw/zinc/24/39/08/565243908.db2.gz RQBJJWJEBXJIOT-NSHDSACASA-N 1 3 392.363 2.521 20 0 GFADHO COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)sc1Br ZINC000617506538 565243913 /nfs/dbraw/zinc/24/39/13/565243913.db2.gz RQBJJWJEBXJIOT-NSHDSACASA-N 1 3 392.363 2.521 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641050379 565343094 /nfs/dbraw/zinc/34/30/94/565343094.db2.gz CADOEKRLRVSFSU-QGZVFWFLSA-N 1 3 397.361 2.664 20 0 GFADHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(OC)ccc2Br)CC1 ZINC000663504636 565424466 /nfs/dbraw/zinc/42/44/66/565424466.db2.gz ZSEQMTHJLNVDCM-UHFFFAOYSA-N 1 3 398.345 2.538 20 0 GFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000644532052 565480726 /nfs/dbraw/zinc/48/07/26/565480726.db2.gz XCVUKBNMRLYSCH-DOTOQJQBSA-N 1 3 385.346 2.899 20 0 GFADHO C[C@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)C[NH2+]1 ZINC000627196811 565726076 /nfs/dbraw/zinc/72/60/76/565726076.db2.gz VUSFLTSOLBEFRS-WMLDXEAASA-N 1 3 397.361 2.663 20 0 GFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]21 ZINC000629519374 565857460 /nfs/dbraw/zinc/85/74/60/565857460.db2.gz PWSPYQSLGHODSO-JWDQPFGJSA-N 1 3 378.314 2.762 20 0 GFADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000819083591 660245854 /nfs/dbraw/zinc/24/58/54/660245854.db2.gz BRKYWWWJVAQOBL-KBXCAEBGSA-N 1 3 383.330 2.573 20 0 GFADHO Cc1c(C[C@H](CN)C[NH2+]CC2(c3cccc(Br)c3)CC2)cnn1C ZINC000903924685 663812048 /nfs/dbraw/zinc/81/20/48/663812048.db2.gz HACCVJZLWOWRTN-OAHLLOKOSA-N 1 3 391.357 2.930 20 0 GFADHO Cc1c(C[C@H](CN)C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)cnn1C ZINC000903936356 663812721 /nfs/dbraw/zinc/81/27/21/663812721.db2.gz ZOWVJNMXUTXRHC-YDISMWLMSA-N 1 3 389.341 2.536 20 0 GFADHO Cc1c(C[C@H](C[NH3+])CN[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)cnn1C ZINC000903936356 663812722 /nfs/dbraw/zinc/81/27/22/663812722.db2.gz ZOWVJNMXUTXRHC-YDISMWLMSA-N 1 3 389.341 2.536 20 0 GFADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)c(F)c1 ZINC000925855645 664676175 /nfs/dbraw/zinc/67/61/75/664676175.db2.gz LLEIOYAPPCDFRJ-DGCLKSJQSA-N 1 3 385.277 2.924 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(Br)c3)CC2)CC1 ZINC000050802606 551161814 /nfs/dbraw/zinc/16/18/14/551161814.db2.gz CEGIQHAKJDWXEG-UHFFFAOYSA-N 1 3 380.330 2.738 20 0 GFADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(I)cc1 ZINC000153784163 551460682 /nfs/dbraw/zinc/46/06/82/551460682.db2.gz NOEIKIZUMHBOBY-ZDUSSCGKSA-N 1 3 376.282 2.910 20 0 GFADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(I)cc1 ZINC000153784163 551460685 /nfs/dbraw/zinc/46/06/85/551460685.db2.gz NOEIKIZUMHBOBY-ZDUSSCGKSA-N 1 3 376.282 2.910 20 0 GFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418450093 563217783 /nfs/dbraw/zinc/21/77/83/563217783.db2.gz UMRUIMFBZPRXOF-KRWDZBQOSA-N 1 3 399.377 2.896 20 0 GFADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000423092413 563354960 /nfs/dbraw/zinc/35/49/60/563354960.db2.gz BUNAWZBJINFJTA-STQMWFEESA-N 1 3 384.318 2.816 20 0 GFADHO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCC[C@@H]2CN)cc1Br ZINC000423165264 563357955 /nfs/dbraw/zinc/35/79/55/563357955.db2.gz UFHNDCHEBSCDSZ-UXLLHSPISA-N 1 3 385.346 2.716 20 0 GFADHO CC(C)N1CCN(CCC[NH+]2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000374324094 563368152 /nfs/dbraw/zinc/36/81/52/563368152.db2.gz JWJZTCVTKVHWJX-UHFFFAOYSA-N 1 3 398.393 2.699 20 0 GFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000333246114 563625587 /nfs/dbraw/zinc/62/55/87/563625587.db2.gz FTTCJCUXNWGXNJ-IETSOEAISA-N 1 3 386.359 2.808 20 0 GFADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000414113691 563719738 /nfs/dbraw/zinc/71/97/38/563719738.db2.gz OADHZJHGXMBDFO-CQSZACIVSA-N 1 3 382.346 2.996 20 0 GFADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3ccccc3Br)CC2)C1 ZINC000414760062 563752660 /nfs/dbraw/zinc/75/26/60/563752660.db2.gz XPIDNYKSKKHZSV-OAHLLOKOSA-N 1 3 394.357 2.826 20 0 GFADHO CN(C)[C@]1(C[NH2+]Cc2c(Cl)cccc2N2CCN(C)CC2)CCSC1 ZINC000539977574 564234652 /nfs/dbraw/zinc/23/46/52/564234652.db2.gz LIBKQYWHPARXDC-IBGZPJMESA-N 1 3 383.005 2.619 20 0 GFADHO C[C@@H](C(=O)Nc1ccccc1Br)N(C)CCCN(C)CC[NH+](C)C ZINC000565445116 564280777 /nfs/dbraw/zinc/28/07/77/564280777.db2.gz QBWQTKZGRNWNOZ-HNNXBMFYSA-N 1 3 399.377 2.591 20 0 GFADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000513698124 564436444 /nfs/dbraw/zinc/43/64/44/564436444.db2.gz WTRZCRYZNJYWOV-ULQDDVLXSA-N 1 3 380.330 2.641 20 0 GFADHO C[N@H+]1CC[C@H](NCCNC(=O)c2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000513698124 564436448 /nfs/dbraw/zinc/43/64/48/564436448.db2.gz WTRZCRYZNJYWOV-ULQDDVLXSA-N 1 3 380.330 2.641 20 0 GFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(F)c(I)c1 ZINC000453233614 564449449 /nfs/dbraw/zinc/44/94/49/564449449.db2.gz WPINGWGCTGYCAH-LLVKDONJSA-N 1 3 380.245 2.659 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC/C=C\c1ccc(Br)cc1 ZINC000516410615 564501738 /nfs/dbraw/zinc/50/17/38/564501738.db2.gz HNWMCXVRGCQBLF-WAYWQWQTSA-N 1 3 397.361 2.597 20 0 GFADHO COCC[N@H+](C)C[C@@H](O)CNC1(c2ccc(Br)cc2)CCCC1 ZINC000571295328 564544707 /nfs/dbraw/zinc/54/47/07/564544707.db2.gz VPECISMPTCLBFD-KRWDZBQOSA-N 1 3 385.346 2.747 20 0 GFADHO COCC[N@@H+](C)C[C@@H](O)CNC1(c2ccc(Br)cc2)CCCC1 ZINC000571295328 564544713 /nfs/dbraw/zinc/54/47/13/564544713.db2.gz VPECISMPTCLBFD-KRWDZBQOSA-N 1 3 385.346 2.747 20 0 GFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000489529203 564743118 /nfs/dbraw/zinc/74/31/18/564743118.db2.gz UIASIPNNMCWUEG-TZMCWYRMSA-N 1 3 386.309 2.826 20 0 GFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc(Br)cs1 ZINC000493931810 564813805 /nfs/dbraw/zinc/81/38/05/564813805.db2.gz AABDALLXFIEPQC-CQSZACIVSA-N 1 3 390.391 2.551 20 0 GFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494008216 564815585 /nfs/dbraw/zinc/81/55/85/564815585.db2.gz VJLQEEFSJNNKMR-CYBMUJFWSA-N 1 3 388.737 2.780 20 0 GFADHO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530641085 564890222 /nfs/dbraw/zinc/89/02/22/564890222.db2.gz ARGUQQSXXATBPQ-ZDUSSCGKSA-N 1 3 376.328 2.713 20 0 GFADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000584346015 565076980 /nfs/dbraw/zinc/07/69/80/565076980.db2.gz OVWIWBDWTKQYFB-MRXNPFEDSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1[nH]c2ccccc2c1Br ZINC000617505262 565242885 /nfs/dbraw/zinc/24/28/85/565242885.db2.gz ZLCTVJFPCIWEJT-ZDUSSCGKSA-N 1 3 395.345 2.932 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1[nH]c2ccccc2c1Br ZINC000617505262 565242888 /nfs/dbraw/zinc/24/28/88/565242888.db2.gz ZLCTVJFPCIWEJT-ZDUSSCGKSA-N 1 3 395.345 2.932 20 0 GFADHO Cc1ccc(Br)cc1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503802 565242958 /nfs/dbraw/zinc/24/29/58/565242958.db2.gz ZXCUSIPCTJBYDY-HNNXBMFYSA-N 1 3 384.362 2.688 20 0 GFADHO Cc1ccc(Br)cc1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503802 565242964 /nfs/dbraw/zinc/24/29/64/565242964.db2.gz ZXCUSIPCTJBYDY-HNNXBMFYSA-N 1 3 384.362 2.688 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(F)ccc(Br)c1F ZINC000617507124 565244125 /nfs/dbraw/zinc/24/41/25/565244125.db2.gz JDSORIKEHYUCCE-NSHDSACASA-N 1 3 392.288 2.729 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(F)ccc(Br)c1F ZINC000617507124 565244128 /nfs/dbraw/zinc/24/41/28/565244128.db2.gz JDSORIKEHYUCCE-NSHDSACASA-N 1 3 392.288 2.729 20 0 GFADHO C[N@@H+]1CCCN(CCCNCc2nc3cc(Br)ccc3o2)CC1 ZINC000641718322 565396386 /nfs/dbraw/zinc/39/63/86/565396386.db2.gz WPKDZCRHBICRQA-UHFFFAOYSA-N 1 3 381.318 2.708 20 0 GFADHO C[N@H+]1CCCN(CCCNCc2nc3cc(Br)ccc3o2)CC1 ZINC000641718322 565396391 /nfs/dbraw/zinc/39/63/91/565396391.db2.gz WPKDZCRHBICRQA-UHFFFAOYSA-N 1 3 381.318 2.708 20 0 GFADHO C[NH2+]CCCC(=O)N1CCC(NCc2cnc(-c3cccs3)s2)CC1 ZINC000663504340 565424507 /nfs/dbraw/zinc/42/45/07/565424507.db2.gz SUODPLVYXLPQLU-UHFFFAOYSA-N 1 3 378.567 2.952 20 0 GFADHO Cc1nn(-c2ccccc2Br)cc1CNCCOCC[NH+](C)C ZINC000655760248 566087478 /nfs/dbraw/zinc/08/74/78/566087478.db2.gz ZDEXBDHMXUINLU-UHFFFAOYSA-N 1 3 381.318 2.611 20 0 GFADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634703408 566171391 /nfs/dbraw/zinc/17/13/91/566171391.db2.gz VQIJMUBKWSZEOJ-QGZVFWFLSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000824598227 608280514 /nfs/dbraw/zinc/28/05/14/608280514.db2.gz CEMSXQZOJHKOAQ-INIZCTEOSA-N 1 3 396.495 2.537 20 0 GFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916521 660211875 /nfs/dbraw/zinc/21/18/75/660211875.db2.gz GYGALLBORQVFSG-CABCVRRESA-N 1 3 380.432 2.609 20 0 GFADHO COCC[N@H+](C)CCCNC[C@](C)(O)c1ccc(Br)cc1Cl ZINC000818954189 660237924 /nfs/dbraw/zinc/23/79/24/660237924.db2.gz RJRIZXAQTUIXIT-INIZCTEOSA-N 1 3 393.753 2.868 20 0 GFADHO COCC[N@@H+](C)CCCNC[C@](C)(O)c1ccc(Br)cc1Cl ZINC000818954189 660237931 /nfs/dbraw/zinc/23/79/31/660237931.db2.gz RJRIZXAQTUIXIT-INIZCTEOSA-N 1 3 393.753 2.868 20 0 GFADHO CSc1nnc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)s1 ZINC000849108689 661692364 /nfs/dbraw/zinc/69/23/64/661692364.db2.gz ZVQIRAWVDDOBMP-UHFFFAOYSA-N 1 3 376.555 2.539 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000855346110 661987097 /nfs/dbraw/zinc/98/70/97/661987097.db2.gz ORPDCUXTGQHVTG-ZDUSSCGKSA-N 1 3 395.345 2.932 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000855346110 661987100 /nfs/dbraw/zinc/98/71/00/661987100.db2.gz ORPDCUXTGQHVTG-ZDUSSCGKSA-N 1 3 395.345 2.932 20 0 GFADHO [NH3+]CCCOC1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923298531 664627714 /nfs/dbraw/zinc/62/77/14/664627714.db2.gz VFMLAUZXXXUMHZ-CQSZACIVSA-N 1 3 377.312 2.563 20 0 GFADHO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Br)n1 ZINC000924624509 664659035 /nfs/dbraw/zinc/65/90/35/664659035.db2.gz CIRHZUMTOIOVBJ-CQSZACIVSA-N 1 3 390.329 2.842 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925565930 664673116 /nfs/dbraw/zinc/67/31/16/664673116.db2.gz BFEYZJFYTOEOGG-HOTGVXAUSA-N 1 3 380.330 2.657 20 0 GFADHO O=C1O[C@@H](CN[C@@H]2CCc3c2ccc(F)c3Br)CC12CC[NH2+]CC2 ZINC000925848116 664675740 /nfs/dbraw/zinc/67/57/40/664675740.db2.gz AFGMAKSJCFXDAJ-IAQYHMDHSA-N 1 3 397.288 2.850 20 0 GFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1CN1CCCC1)C2 ZINC001164815220 720198323 /nfs/dbraw/zinc/19/83/23/720198323.db2.gz XDQHSKWZBPZHGI-JTHBVZDNSA-N 1 3 384.568 2.862 20 0 GFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncccc1CN1CCCC1)C2 ZINC001164815220 720198327 /nfs/dbraw/zinc/19/83/27/720198327.db2.gz XDQHSKWZBPZHGI-JTHBVZDNSA-N 1 3 384.568 2.862 20 0 GFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)ccc1CN1CCCC1 ZINC001164924303 721867697 /nfs/dbraw/zinc/86/76/97/721867697.db2.gz KSJZEPGZKUPEBQ-MSOLQXFVSA-N 1 3 377.964 2.545 20 0 GFADHO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)ccc1CN1CCCC1 ZINC001164924303 721867700 /nfs/dbraw/zinc/86/77/00/721867700.db2.gz KSJZEPGZKUPEBQ-MSOLQXFVSA-N 1 3 377.964 2.545 20 0 GFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422797357 563349575 /nfs/dbraw/zinc/34/95/75/563349575.db2.gz MEYRYDKGSAVAAX-XFKAJCMBSA-N 1 3 383.330 2.963 20 0 GFADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423268273 563359617 /nfs/dbraw/zinc/35/96/17/563359617.db2.gz FTFGFLPNOBMHLB-QWRGUYRKSA-N 1 3 380.341 2.681 20 0 GFADHO CC(C)N1CCN(CCC[NH2+][C@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000285525689 563525234 /nfs/dbraw/zinc/52/52/34/563525234.db2.gz RYKLHXYOJRFSBP-LJQANCHMSA-N 1 3 398.389 2.662 20 0 GFADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCC[C@@H]2c2cc(F)cc(Br)c2)C1 ZINC000414753343 563751918 /nfs/dbraw/zinc/75/19/18/563751918.db2.gz MAIIGZZKJMSBHZ-CXAGYDPISA-N 1 3 398.320 2.922 20 0 GFADHO C[C@@H](N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ncc(Br)cc1F ZINC000364462318 563753879 /nfs/dbraw/zinc/75/38/79/563753879.db2.gz CFZJIPKPDZLAFG-TZMCWYRMSA-N 1 3 385.325 2.802 20 0 GFADHO C[C@@H](N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ncc(Br)cc1F ZINC000364462318 563753882 /nfs/dbraw/zinc/75/38/82/563753882.db2.gz CFZJIPKPDZLAFG-TZMCWYRMSA-N 1 3 385.325 2.802 20 0 GFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683855 564195663 /nfs/dbraw/zinc/19/56/63/564195663.db2.gz OCSNFWJKCYRKCQ-XHSDSOJGSA-N 1 3 385.321 2.956 20 0 GFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683855 564195666 /nfs/dbraw/zinc/19/56/66/564195666.db2.gz OCSNFWJKCYRKCQ-XHSDSOJGSA-N 1 3 385.321 2.956 20 0 GFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000567639970 564381713 /nfs/dbraw/zinc/38/17/13/564381713.db2.gz QVPLKVISXTZQOZ-IXDOHACOSA-N 1 3 385.599 2.659 20 0 GFADHO C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)CCCN(C)CC[NH+](C)C ZINC000571323203 564546735 /nfs/dbraw/zinc/54/67/35/564546735.db2.gz UHMSNXBSDFNLBY-OAHLLOKOSA-N 1 3 399.377 2.591 20 0 GFADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@H]2CCC[C@@H]21 ZINC000552275874 564684706 /nfs/dbraw/zinc/68/47/06/564684706.db2.gz CQLLNIGEPABDRU-FSDCSDTHSA-N 1 3 383.330 2.651 20 0 GFADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2ccccc2Br)[C@H]2CCC[C@@H]21 ZINC000552275874 564684709 /nfs/dbraw/zinc/68/47/09/564684709.db2.gz CQLLNIGEPABDRU-FSDCSDTHSA-N 1 3 383.330 2.651 20 0 GFADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2ccccc2Br)[C@H]2CCC[C@@H]21 ZINC000552275874 564684712 /nfs/dbraw/zinc/68/47/12/564684712.db2.gz CQLLNIGEPABDRU-FSDCSDTHSA-N 1 3 383.330 2.651 20 0 GFADHO CC1CC[NH+](C[C@@H](O)CN[C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555550148 564797885 /nfs/dbraw/zinc/79/78/85/564797885.db2.gz JQPXOKKFZLNTJL-SJORKVTESA-N 1 3 381.358 2.989 20 0 GFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000469137429 565006993 /nfs/dbraw/zinc/00/69/93/565006993.db2.gz IJCZFQPXCDUNRF-OAHLLOKOSA-N 1 3 395.345 2.807 20 0 GFADHO Brc1cccc(OC2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662280357 565358231 /nfs/dbraw/zinc/35/82/31/565358231.db2.gz OLELMOQSKSCONB-QGZVFWFLSA-N 1 3 381.314 2.813 20 0 GFADHO C[NH2+]CCCC(=O)N1CCC(NCc2cccc(Br)c2OC)CC1 ZINC000663506531 565424352 /nfs/dbraw/zinc/42/43/52/565424352.db2.gz UBLSKVCEQYSFDQ-UHFFFAOYSA-N 1 3 398.345 2.538 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000625288791 565616027 /nfs/dbraw/zinc/61/60/27/565616027.db2.gz OMWHHMPMBFKRLT-UHFFFAOYSA-N 1 3 381.826 2.804 20 0 GFADHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000648151614 565692229 /nfs/dbraw/zinc/69/22/29/565692229.db2.gz WFGASCHPXVKPAX-HWWDLCQESA-N 1 3 382.335 2.883 20 0 GFADHO C[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)C[NH2+]1 ZINC000627196808 565726372 /nfs/dbraw/zinc/72/63/72/565726372.db2.gz VUSFLTSOLBEFRS-PBHICJAKSA-N 1 3 397.361 2.663 20 0 GFADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cc(F)c(Br)cc1F ZINC000629650804 565865150 /nfs/dbraw/zinc/86/51/50/565865150.db2.gz FDKINWDAHNKRMS-QWRGUYRKSA-N 1 3 390.272 2.575 20 0 GFADHO CC1CCN([C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c2cccs2)CC1 ZINC000655912770 566095717 /nfs/dbraw/zinc/09/57/17/566095717.db2.gz PCIBDYFRWOHOPA-JSGCOSHPSA-N 1 3 378.464 2.710 20 0 GFADHO C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824605181 609141222 /nfs/dbraw/zinc/14/12/22/609141222.db2.gz GEQUMKCQCGRHNU-OAHLLOKOSA-N 1 3 398.486 2.840 20 0 GFADHO C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824605181 609141224 /nfs/dbraw/zinc/14/12/24/609141224.db2.gz GEQUMKCQCGRHNU-OAHLLOKOSA-N 1 3 398.486 2.840 20 0 GFADHO COCC[N@H+](C)CCCNC[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000818954190 660237912 /nfs/dbraw/zinc/23/79/12/660237912.db2.gz RJRIZXAQTUIXIT-MRXNPFEDSA-N 1 3 393.753 2.868 20 0 GFADHO COCC[N@@H+](C)CCCNC[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000818954190 660237914 /nfs/dbraw/zinc/23/79/14/660237914.db2.gz RJRIZXAQTUIXIT-MRXNPFEDSA-N 1 3 393.753 2.868 20 0 GFADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000764385406 656109627 /nfs/dbraw/zinc/10/96/27/656109627.db2.gz XTPTXXRRIIVIDQ-INIZCTEOSA-N 1 3 376.372 2.884 20 0 GFADHO O=C1[C@@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1cccc(Br)c1 ZINC000843364554 661378860 /nfs/dbraw/zinc/37/88/60/661378860.db2.gz HHWQAYIJRCWHFL-INIZCTEOSA-N 1 3 378.314 2.630 20 0 GFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(Br)cc1 ZINC000849088011 661691589 /nfs/dbraw/zinc/69/15/89/661691589.db2.gz NGGFZPOZNVOQDB-DZGCQCFKSA-N 1 3 383.334 2.815 20 0 GFADHO CC(C)N1CCN(CCC[NH2+][C@](C)(CO)c2cccc(Br)c2)CC1 ZINC000934496021 664908845 /nfs/dbraw/zinc/90/88/45/664908845.db2.gz HNTBPVLOEXANRF-LJQANCHMSA-N 1 3 398.389 2.662 20 0 GFADHO O=C(NCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000166450153 551631732 /nfs/dbraw/zinc/63/17/32/551631732.db2.gz AMFIEPLZTPHHJU-DLBZAZTESA-N 1 3 380.330 2.785 20 0 GFADHO O=C(NCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000166450153 551631736 /nfs/dbraw/zinc/63/17/36/551631736.db2.gz AMFIEPLZTPHHJU-DLBZAZTESA-N 1 3 380.330 2.785 20 0 GFADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCSc2cc(Cl)ccc2Cl)C1 ZINC000261653348 553155090 /nfs/dbraw/zinc/15/50/90/553155090.db2.gz FQEODZXWPZZHID-LBPRGKRZSA-N 1 3 376.353 2.872 20 0 GFADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1 ZINC000423377880 563360543 /nfs/dbraw/zinc/36/05/43/563360543.db2.gz FQBSOLKXTZALPA-RISCZKNCSA-N 1 3 380.252 2.936 20 0 GFADHO C[C@H](NCCC1=CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423541280 563361955 /nfs/dbraw/zinc/36/19/55/563361955.db2.gz RUHRSQMHRCGQLN-JTQLQIEISA-N 1 3 378.325 2.601 20 0 GFADHO C[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)CN1CCCCC1 ZINC000362802364 563709521 /nfs/dbraw/zinc/70/95/21/563709521.db2.gz LOHWWJILOCDCEX-INIZCTEOSA-N 1 3 385.599 2.613 20 0 GFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(Br)c1 ZINC000414206205 563722750 /nfs/dbraw/zinc/72/27/50/563722750.db2.gz XZQJVDMGSAWXHH-INIZCTEOSA-N 1 3 396.373 2.896 20 0 GFADHO CN1CCC(C[NH2+]Cc2ccc(C(F)(F)F)s2)(N2CCOCC2)CC1 ZINC000414484155 563744133 /nfs/dbraw/zinc/74/41/33/563744133.db2.gz NVFCSBWMZKKHJM-UHFFFAOYSA-N 1 3 377.476 2.653 20 0 GFADHO C[NH+]1CCC(CNCc2csc(Cl)c2Cl)(N2CCOCC2)CC1 ZINC000414484099 563744694 /nfs/dbraw/zinc/74/46/94/563744694.db2.gz NPBKBBYOYGDWDE-UHFFFAOYSA-N 1 3 378.369 2.941 20 0 GFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000538101499 564182552 /nfs/dbraw/zinc/18/25/52/564182552.db2.gz SQPHXEOHGGRSEF-GOSISDBHSA-N 1 3 394.357 2.969 20 0 GFADHO CC(C)[NH2+]CCCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000564064611 564218460 /nfs/dbraw/zinc/21/84/60/564218460.db2.gz YKSOUEZDOZYXKE-UHFFFAOYSA-N 1 3 399.377 2.910 20 0 GFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000510693740 564344305 /nfs/dbraw/zinc/34/43/05/564344305.db2.gz CPCXMIPICRUAQK-GOSISDBHSA-N 1 3 394.357 2.969 20 0 GFADHO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC(CC[NH3+])CC1 ZINC000568521227 564423541 /nfs/dbraw/zinc/42/35/41/564423541.db2.gz UUKZBZDRZSUJKS-AWEZNQCLSA-N 1 3 382.346 2.857 20 0 GFADHO C[C@H](NCC1CC[NH+](CCO)CC1)c1ccccc1I ZINC000482558323 564545556 /nfs/dbraw/zinc/54/55/56/564545556.db2.gz WJRIPGZJEFWEFI-ZDUSSCGKSA-N 1 3 388.293 2.646 20 0 GFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccccc1Br ZINC000520507594 564606268 /nfs/dbraw/zinc/60/62/68/564606268.db2.gz IDDGJWNGSWGKNX-KRWDZBQOSA-N 1 3 396.373 2.866 20 0 GFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccccc1Br ZINC000520507594 564606270 /nfs/dbraw/zinc/60/62/70/564606270.db2.gz IDDGJWNGSWGKNX-KRWDZBQOSA-N 1 3 396.373 2.866 20 0 GFADHO CC(C)(O)C[NH+]1CCC(NC[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000638425688 565196957 /nfs/dbraw/zinc/19/69/57/565196957.db2.gz HBKZVJUTZSLIPO-AWEZNQCLSA-N 1 3 391.339 2.558 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1ccc(Br)cc1 ZINC000617505572 565242332 /nfs/dbraw/zinc/24/23/32/565242332.db2.gz INGRISZKJGNIPD-HNNXBMFYSA-N 1 3 384.362 2.770 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1ccc(Br)cc1 ZINC000617505572 565242336 /nfs/dbraw/zinc/24/23/36/565242336.db2.gz INGRISZKJGNIPD-HNNXBMFYSA-N 1 3 384.362 2.770 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1ccc(Cl)cc1Cl ZINC000617503782 565242979 /nfs/dbraw/zinc/24/29/79/565242979.db2.gz YYHFOAQUSGQPJQ-ZDUSSCGKSA-N 1 3 376.328 2.760 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1ccc(Cl)cc1Cl ZINC000617503782 565242984 /nfs/dbraw/zinc/24/29/84/565242984.db2.gz YYHFOAQUSGQPJQ-ZDUSSCGKSA-N 1 3 376.328 2.760 20 0 GFADHO Cc1ccc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Br ZINC000617506917 565244676 /nfs/dbraw/zinc/24/46/76/565244676.db2.gz CFQUGIFPRZNKCM-HNNXBMFYSA-N 1 3 384.362 2.688 20 0 GFADHO Cc1ccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Br ZINC000617506917 565244679 /nfs/dbraw/zinc/24/46/79/565244679.db2.gz CFQUGIFPRZNKCM-HNNXBMFYSA-N 1 3 384.362 2.688 20 0 GFADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632305 565486744 /nfs/dbraw/zinc/48/67/44/565486744.db2.gz WIYPOGKDEVDGBV-HUUCEWRRSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632305 565486747 /nfs/dbraw/zinc/48/67/47/565486747.db2.gz WIYPOGKDEVDGBV-HUUCEWRRSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000665638927 565506809 /nfs/dbraw/zinc/50/68/09/565506809.db2.gz HACHEWOVTMDRGS-LBPRGKRZSA-N 1 3 382.559 2.660 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000665638927 565506815 /nfs/dbraw/zinc/50/68/15/565506815.db2.gz HACHEWOVTMDRGS-LBPRGKRZSA-N 1 3 382.559 2.660 20 0 GFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c(F)cncc1Br ZINC000668160280 565629532 /nfs/dbraw/zinc/62/95/32/565629532.db2.gz XVZRMHFKBUPASG-CQSZACIVSA-N 1 3 387.341 2.831 20 0 GFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c(F)cncc1Br ZINC000668160280 565629535 /nfs/dbraw/zinc/62/95/35/565629535.db2.gz XVZRMHFKBUPASG-CQSZACIVSA-N 1 3 387.341 2.831 20 0 GFADHO Cc1nc2ccc(Br)cc2c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1C ZINC000656219389 566114166 /nfs/dbraw/zinc/11/41/66/566114166.db2.gz WBPIWVMQNZCMFS-LSDHHAIUSA-N 1 3 376.298 2.869 20 0 GFADHO Cc1nc2ccc(Br)cc2c(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1C ZINC000656219389 566114168 /nfs/dbraw/zinc/11/41/68/566114168.db2.gz WBPIWVMQNZCMFS-LSDHHAIUSA-N 1 3 376.298 2.869 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3ccc(Cl)s3)CC2)CC1 ZINC000051759916 654728579 /nfs/dbraw/zinc/72/85/79/654728579.db2.gz NRSQRCRZVSAPKF-UHFFFAOYSA-N 1 3 384.977 2.802 20 0 GFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000127972953 654839061 /nfs/dbraw/zinc/83/90/61/654839061.db2.gz LXLYDVXFQHJWNH-OCCSQVGLSA-N 1 3 386.309 2.826 20 0 GFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(Br)c1 ZINC000849098181 661691907 /nfs/dbraw/zinc/69/19/07/661691907.db2.gz FZQQOJDHJPVXSK-UKRRQHHQSA-N 1 3 383.334 2.815 20 0 GFADHO Brc1ccc(OCCCCN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000903750101 663805684 /nfs/dbraw/zinc/80/56/84/663805684.db2.gz USIRKDRWLIAVFQ-QGZVFWFLSA-N 1 3 382.346 2.588 20 0 GFADHO Cc1c(C[C@H](CN)C[NH2+][C@H](C)Cc2ccccc2Br)cnn1C ZINC000903920420 663811712 /nfs/dbraw/zinc/81/17/12/663811712.db2.gz JHRPOYANUYJGIF-UKRRQHHQSA-N 1 3 379.346 2.829 20 0 GFADHO Oc1ccc(Br)c(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903980123 663814896 /nfs/dbraw/zinc/81/48/96/663814896.db2.gz IQKPZZPTLNVFSE-IYBDPMFKSA-N 1 3 380.330 2.555 20 0 GFADHO Oc1ccc(Br)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903980123 663814898 /nfs/dbraw/zinc/81/48/98/663814898.db2.gz IQKPZZPTLNVFSE-IYBDPMFKSA-N 1 3 380.330 2.555 20 0 GFADHO Oc1ccc(Br)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903980123 663814900 /nfs/dbraw/zinc/81/49/00/663814900.db2.gz IQKPZZPTLNVFSE-IYBDPMFKSA-N 1 3 380.330 2.555 20 0 GFADHO COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1Br ZINC000903980225 663814951 /nfs/dbraw/zinc/81/49/51/663814951.db2.gz KREBLELPDPFMRV-CALCHBBNSA-N 1 3 394.357 2.858 20 0 GFADHO COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1Br ZINC000903980225 663814954 /nfs/dbraw/zinc/81/49/54/663814954.db2.gz KREBLELPDPFMRV-CALCHBBNSA-N 1 3 394.357 2.858 20 0 GFADHO COc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1Br ZINC000903980225 663814956 /nfs/dbraw/zinc/81/49/56/663814956.db2.gz KREBLELPDPFMRV-CALCHBBNSA-N 1 3 394.357 2.858 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccccc3Br)CC2)CC1 ZINC000104345984 551198610 /nfs/dbraw/zinc/19/86/10/551198610.db2.gz IBWNMDLLURYENE-UHFFFAOYSA-N 1 3 394.357 2.666 20 0 GFADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000154696527 551481081 /nfs/dbraw/zinc/48/10/81/551481081.db2.gz KDCOIHBYHIHCIF-LJQANCHMSA-N 1 3 386.367 2.960 20 0 GFADHO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCCN2CCCC2)C1 ZINC000193474325 552994560 /nfs/dbraw/zinc/99/45/60/552994560.db2.gz MJKUXDQOEUTHCY-HNNXBMFYSA-N 1 3 395.345 2.981 20 0 GFADHO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CCCN2CCCC2)C1 ZINC000193474325 552994561 /nfs/dbraw/zinc/99/45/61/552994561.db2.gz MJKUXDQOEUTHCY-HNNXBMFYSA-N 1 3 395.345 2.981 20 0 GFADHO C[C@@H]([NH3+])CCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000277551736 563212936 /nfs/dbraw/zinc/21/29/36/563212936.db2.gz YUYHRWZTCJAPEG-CQSZACIVSA-N 1 3 398.345 2.536 20 0 GFADHO Brc1ccccc1N1CC[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422700827 563348158 /nfs/dbraw/zinc/34/81/58/563348158.db2.gz ASXYXWXRFIUYCN-CIRFHOKZSA-N 1 3 394.357 2.775 20 0 GFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(Br)cc1N1CCOCC1 ZINC000422989551 563352589 /nfs/dbraw/zinc/35/25/89/563352589.db2.gz LRLIHTVJTKGEGF-YOEHRIQHSA-N 1 3 382.346 2.893 20 0 GFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423196515 563358802 /nfs/dbraw/zinc/35/88/02/563358802.db2.gz ZWTBVSDFOQNNPG-KYNGSXCRSA-N 1 3 396.373 2.755 20 0 GFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Br)ccc1F ZINC000423467549 563361526 /nfs/dbraw/zinc/36/15/26/563361526.db2.gz XQPTVCMRWBHUIH-LSKLOWJMSA-N 1 3 398.320 2.886 20 0 GFADHO CSc1ccc([C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000416038786 563804083 /nfs/dbraw/zinc/80/40/83/563804083.db2.gz FKLXBAHRCRFXGK-KBPBESRZSA-N 1 3 378.464 2.590 20 0 GFADHO COCC[N@H+](C)C[C@H](O)CN[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370280 564277567 /nfs/dbraw/zinc/27/75/67/564277567.db2.gz PFRSRKXGSBAERB-MSOLQXFVSA-N 1 3 385.346 2.819 20 0 GFADHO COCC[N@@H+](C)C[C@H](O)CN[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370280 564277569 /nfs/dbraw/zinc/27/75/69/564277569.db2.gz PFRSRKXGSBAERB-MSOLQXFVSA-N 1 3 385.346 2.819 20 0 GFADHO C[C@@H]1C[N@H+](CCOc2ccc(Br)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490699967 564780420 /nfs/dbraw/zinc/78/04/20/564780420.db2.gz OMWHIOVQYYGIMW-VQIMIIECSA-N 1 3 396.373 2.786 20 0 GFADHO C[C@@H]1C[N@@H+](CCOc2ccc(Br)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490699967 564780424 /nfs/dbraw/zinc/78/04/24/564780424.db2.gz OMWHIOVQYYGIMW-VQIMIIECSA-N 1 3 396.373 2.786 20 0 GFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000556076276 564812360 /nfs/dbraw/zinc/81/23/60/564812360.db2.gz LWZQTFAFDWHKHQ-AAEUAGOBSA-N 1 3 386.359 2.675 20 0 GFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ncc(Br)cc1F ZINC000529566152 564843213 /nfs/dbraw/zinc/84/32/13/564843213.db2.gz AUSPNBSTKQOGIA-OAHLLOKOSA-N 1 3 387.341 2.831 20 0 GFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ncc(Br)cc1F ZINC000529566152 564843215 /nfs/dbraw/zinc/84/32/15/564843215.db2.gz AUSPNBSTKQOGIA-OAHLLOKOSA-N 1 3 387.341 2.831 20 0 GFADHO COCCC[NH+]1CCC(NC[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644540854 565480480 /nfs/dbraw/zinc/48/04/80/565480480.db2.gz ICVSXYISYVKEJI-HNNXBMFYSA-N 1 3 391.339 2.824 20 0 GFADHO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC1(C)CNC1 ZINC000648151577 565692162 /nfs/dbraw/zinc/69/21/62/565692162.db2.gz SPNXNWKCJHSXOY-UHFFFAOYSA-N 1 3 388.339 2.652 20 0 GFADHO O[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000819061327 660244955 /nfs/dbraw/zinc/24/49/55/660244955.db2.gz KTDXFSVVISTFJC-QZTJIDSGSA-N 1 3 383.330 2.716 20 0 GFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000819172941 660248804 /nfs/dbraw/zinc/24/88/04/660248804.db2.gz HRRMIBDAWIUARW-IPMKNSEASA-N 1 3 397.357 2.840 20 0 GFADHO O=C1[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000579834968 655504554 /nfs/dbraw/zinc/50/45/54/655504554.db2.gz MYSXTGFXVUWQBB-RLFYNMQTSA-N 1 3 392.341 2.876 20 0 GFADHO C[NH+]1CCC(NC(=O)CN2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000878651170 662901843 /nfs/dbraw/zinc/90/18/43/662901843.db2.gz VVKGKXTWOZXPLK-MRXNPFEDSA-N 1 3 394.357 2.524 20 0 GFADHO CC[NH+](CC)CCC[C@H](C)NCc1c(I)cnn1C ZINC000894385837 663459582 /nfs/dbraw/zinc/45/95/82/663459582.db2.gz ZKXWGENOTHIAAE-LBPRGKRZSA-N 1 3 378.302 2.625 20 0 GFADHO Cc1c(C[C@H](CN)C[NH2+][C@@H](C)Cc2ccccc2Br)cnn1C ZINC000903920416 663811684 /nfs/dbraw/zinc/81/16/84/663811684.db2.gz JHRPOYANUYJGIF-DZGCQCFKSA-N 1 3 379.346 2.829 20 0 GFADHO CC(C)[C@](C)(C[NH3+])NC[C@H](O)COc1ccc(Cl)cc1Br ZINC000923300264 664627869 /nfs/dbraw/zinc/62/78/69/664627869.db2.gz PHXTWBXWJXLYLV-WFASDCNBSA-N 1 3 379.726 2.805 20 0 GFADHO [NH3+]C[C@H](NC[C@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000923371657 664629079 /nfs/dbraw/zinc/62/90/79/664629079.db2.gz CXBKMMZEDOJSSY-RDJZCZTQSA-N 1 3 389.309 2.825 20 0 GFADHO CN1CCN(CC[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1(C)C ZINC000926358363 664688601 /nfs/dbraw/zinc/68/86/01/664688601.db2.gz XSAJCWVWIMFFKP-MRXNPFEDSA-N 1 3 381.362 2.837 20 0 GFADHO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(-n5ccnc5)ccn4)CC[N@@H+]3C2)c1 ZINC001164903095 721561044 /nfs/dbraw/zinc/56/10/44/721561044.db2.gz AIECJTZBVNOACL-UYAOXDASSA-N 1 3 379.439 2.748 20 0 GFADHO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(-n5ccnc5)ccn4)CC[N@H+]3C2)c1 ZINC001164903095 721561047 /nfs/dbraw/zinc/56/10/47/721561047.db2.gz AIECJTZBVNOACL-UYAOXDASSA-N 1 3 379.439 2.748 20 0 GFADHO CN(Cc1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)nc1)C1CC1 ZINC001164958021 722051411 /nfs/dbraw/zinc/05/14/11/722051411.db2.gz AKWVNUUWJHTXMA-NOXFTYBFSA-N 1 3 393.535 2.976 20 0 GFADHO C[C@@H](NCC1CC[NH+](CCN(C)C)CC1)c1ncc(Br)cc1F ZINC000187164466 552408235 /nfs/dbraw/zinc/40/82/35/552408235.db2.gz NQGSSSMDWPXYHB-CYBMUJFWSA-N 1 3 387.341 2.907 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(Br)n3)CC2)CC1 ZINC000188481829 552446274 /nfs/dbraw/zinc/44/62/74/552446274.db2.gz ILESCRZFXVPRJE-UHFFFAOYSA-N 1 3 396.333 2.524 20 0 GFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000247311055 553121020 /nfs/dbraw/zinc/12/10/20/553121020.db2.gz QYCUQKVFTLFISL-GDBMZVCRSA-N 1 3 395.345 2.979 20 0 GFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000247311055 553121021 /nfs/dbraw/zinc/12/10/21/553121021.db2.gz QYCUQKVFTLFISL-GDBMZVCRSA-N 1 3 395.345 2.979 20 0 GFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418569273 563220154 /nfs/dbraw/zinc/22/01/54/563220154.db2.gz HVAPTMZNZOKBLE-PBHICJAKSA-N 1 3 397.361 2.520 20 0 GFADHO C[C@H](CCC[NH3+])NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772970 563349318 /nfs/dbraw/zinc/34/93/18/563349318.db2.gz ZXGYNFKHJXJUGO-GFCCVEGCSA-N 1 3 377.348 2.718 20 0 GFADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)COc1ccccc1Br ZINC000422937670 563351602 /nfs/dbraw/zinc/35/16/02/563351602.db2.gz JSHMEXKQXDUYGV-TXCZRRACSA-N 1 3 383.330 2.699 20 0 GFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000423109833 563355350 /nfs/dbraw/zinc/35/53/50/563355350.db2.gz VCSIMVOAHQOJLV-JKSUJKDBSA-N 1 3 387.977 2.909 20 0 GFADHO O=S(=O)(NCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423096406 563355631 /nfs/dbraw/zinc/35/56/31/563355631.db2.gz HQZIVWKBOPIACX-USXIJHARSA-N 1 3 385.961 2.519 20 0 GFADHO FC(F)(F)[C@H](CN[C@H]1CCc2c1cccc2Br)N1CC[NH2+]CC1 ZINC000423387003 563360635 /nfs/dbraw/zinc/36/06/35/563360635.db2.gz LVSYKGLWXTUDGJ-GJZGRUSLSA-N 1 3 392.263 2.862 20 0 GFADHO C[C@@H]1CC2(CN1CC(=O)N(C)Cc1ccccc1Br)CC[NH2+]CC2 ZINC000424291358 563375749 /nfs/dbraw/zinc/37/57/49/563375749.db2.gz NQCUKCZVVUUAAG-OAHLLOKOSA-N 1 3 394.357 2.872 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(Br)ccn3)CC2)CC1 ZINC000285083037 563502448 /nfs/dbraw/zinc/50/24/48/563502448.db2.gz LIGJZCXEFHZQTI-UHFFFAOYSA-N 1 3 396.333 2.524 20 0 GFADHO C[C@@H](CC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCC1 ZINC000363867511 563735509 /nfs/dbraw/zinc/73/55/09/563735509.db2.gz YUTLYTRDISRXTA-INIZCTEOSA-N 1 3 385.599 2.755 20 0 GFADHO CCC[N@@H+](Cc1ccccc1Br)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414736115 563751923 /nfs/dbraw/zinc/75/19/23/563751923.db2.gz CSYQVXXHRSYAFE-HNNXBMFYSA-N 1 3 382.346 2.858 20 0 GFADHO CCC[N@H+](Cc1ccccc1Br)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414736115 563751924 /nfs/dbraw/zinc/75/19/24/563751924.db2.gz CSYQVXXHRSYAFE-HNNXBMFYSA-N 1 3 382.346 2.858 20 0 GFADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCC[C@H]2c2cc(F)cc(Br)c2)C1 ZINC000414753344 563752124 /nfs/dbraw/zinc/75/21/24/563752124.db2.gz MAIIGZZKJMSBHZ-DYVFJYSZSA-N 1 3 398.320 2.922 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC(NC[C@@H]([NH3+])C(C)C)CC1 ZINC000414797296 563752695 /nfs/dbraw/zinc/75/26/95/563752695.db2.gz PBXCJKZRDKERSJ-QGZVFWFLSA-N 1 3 382.346 2.935 20 0 GFADHO Cc1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)sc1Br ZINC000414995318 563756347 /nfs/dbraw/zinc/75/63/47/563756347.db2.gz WHKHSPZQIFFLQF-NSHDSACASA-N 1 3 386.281 2.745 20 0 GFADHO C[C@H](C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1)c1cccc(Br)c1 ZINC000415102692 563759372 /nfs/dbraw/zinc/75/93/72/563759372.db2.gz CQVXYRGAKRXPLF-DYVFJYSZSA-N 1 3 378.318 2.940 20 0 GFADHO C[C@H](C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1)c1cccc(Br)c1 ZINC000415102692 563759375 /nfs/dbraw/zinc/75/93/75/563759375.db2.gz CQVXYRGAKRXPLF-DYVFJYSZSA-N 1 3 378.318 2.940 20 0 GFADHO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443062703 563790254 /nfs/dbraw/zinc/79/02/54/563790254.db2.gz VCRMDSDVKBWMCT-HUUCEWRRSA-N 1 3 382.346 2.857 20 0 GFADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000564846573 564252634 /nfs/dbraw/zinc/25/26/34/564252634.db2.gz PVAVZSHCDYMTLW-QGZVFWFLSA-N 1 3 385.346 2.899 20 0 GFADHO Cc1cc(Br)cn2c(CNCC3(O)CC[NH+](C(C)C)CC3)cnc12 ZINC000541382157 564276830 /nfs/dbraw/zinc/27/68/30/564276830.db2.gz PGDIJKXWMJWOEN-UHFFFAOYSA-N 1 3 395.345 2.730 20 0 GFADHO CCN1CCN(c2ccccc2C[NH2+]CCn2cc(Br)cn2)CC1 ZINC000512989286 564416866 /nfs/dbraw/zinc/41/68/66/564416866.db2.gz RUCITVIUTZLBBS-UHFFFAOYSA-N 1 3 392.345 2.577 20 0 GFADHO CCO[C@H](CC[NH+](C)C)CNCc1cccc(I)c1 ZINC000551597156 564657154 /nfs/dbraw/zinc/65/71/54/564657154.db2.gz ZHGYVNVTRLJXQH-OAHLLOKOSA-N 1 3 376.282 2.738 20 0 GFADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(Br)cc2)[C@H]2CCC[C@H]21 ZINC000552226031 564682955 /nfs/dbraw/zinc/68/29/55/564682955.db2.gz USVBXYNWXASQNG-IXDOHACOSA-N 1 3 380.330 2.641 20 0 GFADHO C[N@H+]1CC[C@H](NCCNC(=O)c2ccc(Br)cc2)[C@H]2CCC[C@H]21 ZINC000552226031 564682958 /nfs/dbraw/zinc/68/29/58/564682958.db2.gz USVBXYNWXASQNG-IXDOHACOSA-N 1 3 380.330 2.641 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000556031618 564811493 /nfs/dbraw/zinc/81/14/93/564811493.db2.gz TYDNCXYQUUZXPS-UHFFFAOYSA-N 1 3 397.361 2.895 20 0 GFADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000581801510 564818406 /nfs/dbraw/zinc/81/84/06/564818406.db2.gz ILVZZJHJUQKZEH-ANQUJSFKSA-N 1 3 385.961 2.677 20 0 GFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(Br)cc1 ZINC000499505776 564929886 /nfs/dbraw/zinc/92/98/86/564929886.db2.gz CWAYEUBIHAKGCR-QGZVFWFLSA-N 1 3 382.346 2.937 20 0 GFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(Br)cc1 ZINC000499505776 564929890 /nfs/dbraw/zinc/92/98/90/564929890.db2.gz CWAYEUBIHAKGCR-QGZVFWFLSA-N 1 3 382.346 2.937 20 0 GFADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644540857 565480194 /nfs/dbraw/zinc/48/01/94/565480194.db2.gz ICVSXYISYVKEJI-OAHLLOKOSA-N 1 3 391.339 2.824 20 0 GFADHO Brc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)c(N2CCOCC2)c1 ZINC000666955406 565564390 /nfs/dbraw/zinc/56/43/90/565564390.db2.gz GUKINGZFQKQBFT-QGZVFWFLSA-N 1 3 380.330 2.517 20 0 GFADHO CC(C)CC[NH+]1CCC(CNCc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631084875 565939870 /nfs/dbraw/zinc/93/98/70/565939870.db2.gz GZVIPCQHDJWNED-UHFFFAOYSA-N 1 3 387.977 2.835 20 0 GFADHO CN1CCC(O)(C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679341877 566038662 /nfs/dbraw/zinc/03/86/62/566038662.db2.gz YUKXXSUHSYOFPP-IAGOWNOFSA-N 1 3 383.330 2.716 20 0 GFADHO Brc1ccc(CN2CCC3(C2)CC[NH2+]CC3)c(N2CCOCC2)c1 ZINC000261964911 655443235 /nfs/dbraw/zinc/44/32/35/655443235.db2.gz HROBFINRFFHAOM-UHFFFAOYSA-N 1 3 394.357 2.861 20 0 GFADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1cc(Br)ncc1F ZINC000850500461 661779781 /nfs/dbraw/zinc/77/97/81/661779781.db2.gz GYPJOJRAWBTSTK-STQMWFEESA-N 1 3 375.330 2.906 20 0 GFADHO CN1CCN(C2CC[NH+](CCOc3cccc(Br)c3)CC2)CC1 ZINC000879590571 662930232 /nfs/dbraw/zinc/93/02/32/662930232.db2.gz AFCVCISWTPDGDJ-UHFFFAOYSA-N 1 3 382.346 2.540 20 0 GFADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cc(Br)cc3c1OCC3)CC2 ZINC000904391797 663832382 /nfs/dbraw/zinc/83/23/82/663832382.db2.gz JUTDMTNVSRJIMM-MRXNPFEDSA-N 1 3 381.314 2.714 20 0 GFADHO CCn1c(CNCCCC[NH+](C)C)nc(Br)c1Br ZINC000921616968 664557720 /nfs/dbraw/zinc/55/77/20/664557720.db2.gz LBVSSZSONKZPOL-UHFFFAOYSA-N 1 3 382.144 2.859 20 0 GFADHO C[C@@H](NCCN(C)S(=O)(=O)c1cccs1)c1cccc(C[NH+](C)C)c1 ZINC000925577312 664673308 /nfs/dbraw/zinc/67/33/08/664673308.db2.gz QCZWGVMITVKFOE-OAHLLOKOSA-N 1 3 381.567 2.781 20 0 GFADHO C[NH+]1CCC(O)(CNCc2cc(Br)c(Br)s2)CC1 ZINC000397590890 677411580 /nfs/dbraw/zinc/41/15/80/677411580.db2.gz MLHUQRFFUMXJRK-UHFFFAOYSA-N 1 3 398.164 2.819 20 0 GFADHO CN1CCC(O)(C[NH2+]Cc2cc(Br)c(Br)s2)CC1 ZINC000397590890 677411582 /nfs/dbraw/zinc/41/15/82/677411582.db2.gz MLHUQRFFUMXJRK-UHFFFAOYSA-N 1 3 398.164 2.819 20 0 GFADHO Cc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c(C[NH3+])c1 ZINC001164908359 721718550 /nfs/dbraw/zinc/71/85/50/721718550.db2.gz XGBBIDYJCWRXDH-HXUWFJFHSA-N 1 3 387.478 2.981 20 0 GFADHO OCCN1CCN(CCCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000168918649 551634630 /nfs/dbraw/zinc/63/46/30/551634630.db2.gz QVOTVZAIWIWDDL-SFHVURJKSA-N 1 3 383.989 2.857 20 0 GFADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000179469394 552194125 /nfs/dbraw/zinc/19/41/25/552194125.db2.gz MWBIKCZAFOSXPB-AWEZNQCLSA-N 1 3 378.318 2.935 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418787395 563225989 /nfs/dbraw/zinc/22/59/89/563225989.db2.gz JQSORZULUWSIMN-NVXWUHKLSA-N 1 3 397.361 2.650 20 0 GFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(I)c(Cl)c1 ZINC000423116496 563356154 /nfs/dbraw/zinc/35/61/54/563356154.db2.gz QAOFJKVZGOWQRP-DRCTWCGVSA-N 1 3 394.684 2.787 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423151483 563357046 /nfs/dbraw/zinc/35/70/46/563357046.db2.gz DIPPVJFHZKFCGF-RRQGHBQHSA-N 1 3 385.346 2.858 20 0 GFADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423466415 563360914 /nfs/dbraw/zinc/36/09/14/563360914.db2.gz ANTURAINSVJMGU-MNOVXSKESA-N 1 3 380.341 2.824 20 0 GFADHO C[C@@H](NC1CCC([NH+]2CCNCC2)CC1)c1ncc(Br)cc1F ZINC000423499908 563361482 /nfs/dbraw/zinc/36/14/82/563361482.db2.gz BQGOTLFXSJUYQW-LRVUVFPRSA-N 1 3 385.325 2.850 20 0 GFADHO C[C@@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Br)cc1 ZINC000391804615 563525473 /nfs/dbraw/zinc/52/54/73/563525473.db2.gz VJERENNGDPLPMV-BMFZPTHFSA-N 1 3 380.330 2.558 20 0 GFADHO CC(C)SCCN[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000286936319 563581110 /nfs/dbraw/zinc/58/11/10/563581110.db2.gz GPYDUNWRYLVNLF-MRXNPFEDSA-N 1 3 387.615 2.709 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000414673668 563749178 /nfs/dbraw/zinc/74/91/78/563749178.db2.gz JEYBQTYFFMRHQT-RHSMWYFYSA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000414673668 563749179 /nfs/dbraw/zinc/74/91/79/563749179.db2.gz JEYBQTYFFMRHQT-RHSMWYFYSA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000414676048 563750453 /nfs/dbraw/zinc/75/04/53/563750453.db2.gz HCZFKPBIFZINBX-KUHUBIRLSA-N 1 3 375.563 2.954 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000414676048 563750454 /nfs/dbraw/zinc/75/04/54/563750454.db2.gz HCZFKPBIFZINBX-KUHUBIRLSA-N 1 3 375.563 2.954 20 0 GFADHO CN(Cc1ccc(Br)cc1Cl)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414739948 563751675 /nfs/dbraw/zinc/75/16/75/563751675.db2.gz CLYSKVMGXSVKMT-GFCCVEGCSA-N 1 3 388.737 2.732 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741676 563751868 /nfs/dbraw/zinc/75/18/68/563751868.db2.gz FMEVWRSVOYKDEA-UKRRQHHQSA-N 1 3 386.323 2.644 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741676 563751869 /nfs/dbraw/zinc/75/18/69/563751869.db2.gz FMEVWRSVOYKDEA-UKRRQHHQSA-N 1 3 386.323 2.644 20 0 GFADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000414753376 563752190 /nfs/dbraw/zinc/75/21/90/563752190.db2.gz DMFBZGPDYLUHLW-CHWSQXEVSA-N 1 3 386.359 2.845 20 0 GFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136663 563907257 /nfs/dbraw/zinc/90/72/57/563907257.db2.gz VTOLOEMQKOQPJO-BLLLJJGKSA-N 1 3 398.320 2.753 20 0 GFADHO CN1CCC(O)(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000507955534 564249078 /nfs/dbraw/zinc/24/90/78/564249078.db2.gz ZDWHDQZMWZLRPX-UHFFFAOYSA-N 1 3 379.245 2.597 20 0 GFADHO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCOC1CNC1 ZINC000517133157 564525581 /nfs/dbraw/zinc/52/55/81/564525581.db2.gz BNPOPDNBGMFSJA-UHFFFAOYSA-N 1 3 388.339 2.652 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1c(Cl)cccc1Cl ZINC000525416467 564700772 /nfs/dbraw/zinc/70/07/72/564700772.db2.gz KEFRJYHDGYOFGV-UHFFFAOYSA-N 1 3 375.344 2.671 20 0 GFADHO Brc1cccc2c1C[C@H](NCc1nnc(C3CC[NH2+]CC3)[nH]1)CC2 ZINC000580304429 564755607 /nfs/dbraw/zinc/75/56/07/564755607.db2.gz FKPZCSCGSYAUIG-CQSZACIVSA-N 1 3 390.329 2.681 20 0 GFADHO COc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1Br ZINC000531959294 564924728 /nfs/dbraw/zinc/92/47/28/564924728.db2.gz JNOOPSDXIIMSOR-DZGCQCFKSA-N 1 3 398.345 2.696 20 0 GFADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000639112294 565226414 /nfs/dbraw/zinc/22/64/14/565226414.db2.gz AZMWEEATHNPOQA-KRWDZBQOSA-N 1 3 396.373 2.853 20 0 GFADHO C[NH+]1CCC([C@H]2CCN(Cc3cnn4cc(Br)cnc34)C2)CC1 ZINC000639176686 565229848 /nfs/dbraw/zinc/22/98/48/565229848.db2.gz JALUWRAMUFLNCD-AWEZNQCLSA-N 1 3 378.318 2.656 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(Br)cc1 ZINC000665637219 565506314 /nfs/dbraw/zinc/50/63/14/565506314.db2.gz YECWZHGVJAJAPN-HNNXBMFYSA-N 1 3 399.377 2.863 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(Br)cc1 ZINC000665637219 565506316 /nfs/dbraw/zinc/50/63/16/565506316.db2.gz YECWZHGVJAJAPN-HNNXBMFYSA-N 1 3 399.377 2.863 20 0 GFADHO CN(C)C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000670133251 565716316 /nfs/dbraw/zinc/71/63/16/565716316.db2.gz CHOUTHXTQVJRID-WMZOPIPTSA-N 1 3 384.977 2.679 20 0 GFADHO C[C@@H](N[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH+](C)CC1 ZINC000683695749 566210377 /nfs/dbraw/zinc/21/03/77/566210377.db2.gz NBVXTLAMUCNKQW-CXAGYDPISA-N 1 3 380.330 2.874 20 0 GFADHO CC[N@H+](CCOc1ccccc1-c1nnn[n-]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736541749 598509502 /nfs/dbraw/zinc/50/95/02/598509502.db2.gz JLTZCVAGFVRWNH-UHFFFAOYSA-N 1 3 380.496 2.829 20 0 GFADHO CC[N@@H+](CCOc1ccccc1-c1nnn[n-]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736541749 598509503 /nfs/dbraw/zinc/50/95/03/598509503.db2.gz JLTZCVAGFVRWNH-UHFFFAOYSA-N 1 3 380.496 2.829 20 0 GFADHO CC[N@H+](CCOc1ccccc1-c1nn[n-]n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736541749 598509505 /nfs/dbraw/zinc/50/95/05/598509505.db2.gz JLTZCVAGFVRWNH-UHFFFAOYSA-N 1 3 380.496 2.829 20 0 GFADHO CC[N@@H+](CCOc1ccccc1-c1nn[n-]n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736541749 598509507 /nfs/dbraw/zinc/50/95/07/598509507.db2.gz JLTZCVAGFVRWNH-UHFFFAOYSA-N 1 3 380.496 2.829 20 0 GFADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000819083902 660245837 /nfs/dbraw/zinc/24/58/37/660245837.db2.gz HRXCGRWUSJQDAT-KBXCAEBGSA-N 1 3 383.330 2.573 20 0 GFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000819172940 660248891 /nfs/dbraw/zinc/24/88/91/660248891.db2.gz HRRMIBDAWIUARW-GUDVDZBRSA-N 1 3 397.357 2.840 20 0 GFADHO COCCC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Br)cc1 ZINC000268881029 654990090 /nfs/dbraw/zinc/99/00/90/654990090.db2.gz XSTSUGZDHZATGR-ROUUACIJSA-N 1 3 385.346 2.963 20 0 GFADHO Cc1c(C[C@H](CN)C[N@H+](C)CCc2ccc(Br)cc2)cnn1C ZINC000903890312 663810102 /nfs/dbraw/zinc/81/01/02/663810102.db2.gz BXXVOAWVHOHNOC-MRXNPFEDSA-N 1 3 379.346 2.783 20 0 GFADHO Cc1c(C[C@H](CN)C[N@@H+](C)CCc2ccc(Br)cc2)cnn1C ZINC000903890312 663810104 /nfs/dbraw/zinc/81/01/04/663810104.db2.gz BXXVOAWVHOHNOC-MRXNPFEDSA-N 1 3 379.346 2.783 20 0 GFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924672139 664659378 /nfs/dbraw/zinc/65/93/78/664659378.db2.gz SJJCUUCJOJPYEJ-WMLDXEAASA-N 1 3 381.362 2.837 20 0 GFADHO C[C@H](NCC[C@@H]1C[NH2+]C[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000925803564 664675066 /nfs/dbraw/zinc/67/50/66/664675066.db2.gz RCBNVJLWDJLCRS-OUAUKWLOSA-N 1 3 380.341 2.537 20 0 GFADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)c(Br)c1 ZINC000925850823 664675929 /nfs/dbraw/zinc/67/59/29/664675929.db2.gz BRMVYWLFELXJIJ-YPMHNXCESA-N 1 3 385.277 2.924 20 0 GFADHO O=C1O[C@@H](CN[C@H]2CCc3sc(Br)cc32)CC12CC[NH2+]CC2 ZINC000925852027 664676075 /nfs/dbraw/zinc/67/60/75/664676075.db2.gz ZAIGHVPEDQONRA-PWSUYJOCSA-N 1 3 385.327 2.773 20 0 GFADHO C[N@@H+]1CC[C@@H]2CN([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]2C1 ZINC000931442235 664795081 /nfs/dbraw/zinc/79/50/81/664795081.db2.gz ZGEZNOXZWZJCTA-KEYYUXOJSA-N 1 3 378.314 2.586 20 0 GFADHO C[N@H+]1CC[C@@H]2CN([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]2C1 ZINC000931442235 664795084 /nfs/dbraw/zinc/79/50/84/664795084.db2.gz ZGEZNOXZWZJCTA-KEYYUXOJSA-N 1 3 378.314 2.586 20 0 GFADHO CCOC(=O)C1([C@@H](C)NCc2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000422953206 563351548 /nfs/dbraw/zinc/35/15/48/563351548.db2.gz DZRBHFLYXNILCS-GFCCVEGCSA-N 1 3 387.293 2.999 20 0 GFADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1 ZINC000423377876 563360468 /nfs/dbraw/zinc/36/04/68/563360468.db2.gz FQBSOLKXTZALPA-BXUZGUMPSA-N 1 3 380.252 2.936 20 0 GFADHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000363787097 563732967 /nfs/dbraw/zinc/73/29/67/563732967.db2.gz VYBMRDIQNSWENN-MRXNPFEDSA-N 1 3 385.599 2.611 20 0 GFADHO Cc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1Br ZINC000414481406 563744282 /nfs/dbraw/zinc/74/42/82/563744282.db2.gz KKPRCVFAQDUSQC-UHFFFAOYSA-N 1 3 396.373 2.644 20 0 GFADHO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414670028 563749420 /nfs/dbraw/zinc/74/94/20/563749420.db2.gz CNDITHTURLUVMB-MRXNPFEDSA-N 1 3 382.346 2.857 20 0 GFADHO CC(C)[N@H+](Cc1cccc(Br)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414670028 563749422 /nfs/dbraw/zinc/74/94/22/563749422.db2.gz CNDITHTURLUVMB-MRXNPFEDSA-N 1 3 382.346 2.857 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3ccccc3Br)CC2)C1 ZINC000414760059 563752604 /nfs/dbraw/zinc/75/26/04/563752604.db2.gz XPIDNYKSKKHZSV-HNNXBMFYSA-N 1 3 394.357 2.826 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC(NC[C@H]([NH3+])C(C)C)CC1 ZINC000414797293 563752648 /nfs/dbraw/zinc/75/26/48/563752648.db2.gz PBXCJKZRDKERSJ-KRWDZBQOSA-N 1 3 382.346 2.935 20 0 GFADHO CS[C@H]1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@@H]1N(C)C ZINC000415948939 563801145 /nfs/dbraw/zinc/80/11/45/563801145.db2.gz FDEINCNFJZFVTM-KBPBESRZSA-N 1 3 376.448 2.673 20 0 GFADHO CN1CCC[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H]1c1cccs1 ZINC000416017226 563802617 /nfs/dbraw/zinc/80/26/17/563802617.db2.gz XXDVFPUVLFZAHW-MRVWCRGKSA-N 1 3 378.464 2.710 20 0 GFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136665 563907276 /nfs/dbraw/zinc/90/72/76/563907276.db2.gz VTOLOEMQKOQPJO-MLGOLLRUSA-N 1 3 398.320 2.753 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000449604688 564192118 /nfs/dbraw/zinc/19/21/18/564192118.db2.gz XYCMIYLPPJTABC-GVDBMIGSSA-N 1 3 397.357 2.825 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000449604688 564192121 /nfs/dbraw/zinc/19/21/21/564192121.db2.gz XYCMIYLPPJTABC-GVDBMIGSSA-N 1 3 397.357 2.825 20 0 GFADHO COCC[N@H+](C)C[C@@H](O)CN[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370283 564277629 /nfs/dbraw/zinc/27/76/29/564277629.db2.gz PFRSRKXGSBAERB-ZWKOTPCHSA-N 1 3 385.346 2.819 20 0 GFADHO COCC[N@@H+](C)C[C@@H](O)CN[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370283 564277631 /nfs/dbraw/zinc/27/76/31/564277631.db2.gz PFRSRKXGSBAERB-ZWKOTPCHSA-N 1 3 385.346 2.819 20 0 GFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000567639969 564381356 /nfs/dbraw/zinc/38/13/56/564381356.db2.gz QVPLKVISXTZQOZ-IKGGRYGDSA-N 1 3 385.599 2.659 20 0 GFADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000514680572 564453505 /nfs/dbraw/zinc/45/35/05/564453505.db2.gz AZQVPAKERKFJAX-KRWDZBQOSA-N 1 3 380.374 2.922 20 0 GFADHO COc1sc(CN(C)CCCN(C)CC[NH+](C)C)cc1Br ZINC000515093232 564469378 /nfs/dbraw/zinc/46/93/78/564469378.db2.gz HHMSGJCVDGAEJO-UHFFFAOYSA-N 1 3 378.380 2.835 20 0 GFADHO Cc1ccc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)c(Br)c1 ZINC000547859126 564513536 /nfs/dbraw/zinc/51/35/36/564513536.db2.gz ZXNBVGJEIMTRKR-UHFFFAOYSA-N 1 3 384.362 2.642 20 0 GFADHO CCc1cc(Br)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525890319 564712398 /nfs/dbraw/zinc/71/23/98/564712398.db2.gz SIMOSMBASWZTAS-UHFFFAOYSA-N 1 3 385.350 2.969 20 0 GFADHO C[N@@H+]1CCCN(CCCNCc2ncc(Cl)cc2Br)CC1 ZINC000527652560 564753141 /nfs/dbraw/zinc/75/31/41/564753141.db2.gz FSTUNHREEKPNFB-UHFFFAOYSA-N 1 3 375.742 2.615 20 0 GFADHO C[N@H+]1CCCN(CCCNCc2ncc(Cl)cc2Br)CC1 ZINC000527652560 564753146 /nfs/dbraw/zinc/75/31/46/564753146.db2.gz FSTUNHREEKPNFB-UHFFFAOYSA-N 1 3 375.742 2.615 20 0 GFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(Br)s1 ZINC000583111058 564876725 /nfs/dbraw/zinc/87/67/25/564876725.db2.gz GABABVPXWFLGLH-ZDUSSCGKSA-N 1 3 375.380 2.754 20 0 GFADHO CN(C)CCN(Cc1cccs1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000561338483 564991565 /nfs/dbraw/zinc/99/15/65/564991565.db2.gz LWEMPNJFYQYPON-QGZVFWFLSA-N 1 3 381.611 2.856 20 0 GFADHO C[C@@H](Cc1ccc(Br)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000536561555 565040811 /nfs/dbraw/zinc/04/08/11/565040811.db2.gz CYEJAXKNESCQJL-HNNXBMFYSA-N 1 3 384.362 2.580 20 0 GFADHO Cc1cc(Br)cn2c(CN[C@@H](C)CN(C)CCC[NH+](C)C)cnc12 ZINC000657574050 565110449 /nfs/dbraw/zinc/11/04/49/565110449.db2.gz XKQAKRXTSAQJAE-HNNXBMFYSA-N 1 3 396.377 2.767 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1cc(Cl)ccc1Cl ZINC000617504178 565242357 /nfs/dbraw/zinc/24/23/57/565242357.db2.gz JEYHQJKOJQGSOM-ZDUSSCGKSA-N 1 3 376.328 2.760 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1cc(Cl)ccc1Cl ZINC000617504178 565242360 /nfs/dbraw/zinc/24/23/60/565242360.db2.gz JEYHQJKOJQGSOM-ZDUSSCGKSA-N 1 3 376.328 2.760 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(F)cc(Br)cc1F ZINC000617506425 565243956 /nfs/dbraw/zinc/24/39/56/565243956.db2.gz MWVVCNCLZKFNHX-NSHDSACASA-N 1 3 392.288 2.729 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(F)cc(Br)cc1F ZINC000617506425 565243950 /nfs/dbraw/zinc/24/39/50/565243950.db2.gz MWVVCNCLZKFNHX-NSHDSACASA-N 1 3 392.288 2.729 20 0 GFADHO Brc1ccc([C@@H](NCCCN2CC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000643496346 565433979 /nfs/dbraw/zinc/43/39/79/565433979.db2.gz BAMAJSASGDFOMC-ZWKOTPCHSA-N 1 3 382.346 2.554 20 0 GFADHO CN1CCC(C[NH2+]Cc2csc(C(F)(F)F)c2)(N2CCOCC2)CC1 ZINC000623548997 565517987 /nfs/dbraw/zinc/51/79/87/565517987.db2.gz LRENBLGRZRRJPX-UHFFFAOYSA-N 1 3 377.476 2.653 20 0 GFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(I)s2)CC1 ZINC000602571302 565854889 /nfs/dbraw/zinc/85/48/89/565854889.db2.gz ZNVFXMLCLAKCOK-UHFFFAOYSA-N 1 3 394.322 2.678 20 0 GFADHO O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000576160470 655444779 /nfs/dbraw/zinc/44/47/79/655444779.db2.gz JCFXOPOTGVMPGL-UHFFFAOYSA-N 1 3 385.339 2.549 20 0 GFADHO Cc1cc([C@@H](N)CC(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc(Cl)n1 ZINC000841857733 661316925 /nfs/dbraw/zinc/31/69/25/661316925.db2.gz WNBYXPYPPKAHHL-ZDUSSCGKSA-N 1 3 379.917 2.996 20 0 GFADHO C[N@@H+]1CCCN(CCCNCc2ncc(Br)cc2Cl)CC1 ZINC000865450655 662422230 /nfs/dbraw/zinc/42/22/30/662422230.db2.gz PLMKRYHZBKZAPG-UHFFFAOYSA-N 1 3 375.742 2.615 20 0 GFADHO C[N@H+]1CCCN(CCCNCc2ncc(Br)cc2Cl)CC1 ZINC000865450655 662422233 /nfs/dbraw/zinc/42/22/33/662422233.db2.gz PLMKRYHZBKZAPG-UHFFFAOYSA-N 1 3 375.742 2.615 20 0 GFADHO CC[NH+]1CCN(CC(C)(C)NCc2nc(C)c(Br)s2)CC1 ZINC000878690303 662902492 /nfs/dbraw/zinc/90/24/92/662902492.db2.gz SLXFFMDJPUTGKR-UHFFFAOYSA-N 1 3 375.380 2.720 20 0 GFADHO COc1cc(Br)c(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c(OC)c1 ZINC000904392332 663832328 /nfs/dbraw/zinc/83/23/28/663832328.db2.gz PTOHPEVOGOANFJ-AWEZNQCLSA-N 1 3 399.329 2.796 20 0 GFADHO O[C@@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000905173813 663856687 /nfs/dbraw/zinc/85/66/87/663856687.db2.gz HRRMIBDAWIUARW-QRVBRYPASA-N 1 3 397.357 2.840 20 0 GFADHO [NH3+][C@@H]1CC[C@@H]2CN(C[C@@H](O)COc3ccc(Cl)cc3Br)C[C@@H]12 ZINC000923331681 664628430 /nfs/dbraw/zinc/62/84/30/664628430.db2.gz HUZWSMITTBBVTI-BPGGGUHBSA-N 1 3 389.721 2.511 20 0 GFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924662576 664659358 /nfs/dbraw/zinc/65/93/58/664659358.db2.gz RMTZTOHPIMILNB-QGZVFWFLSA-N 1 3 381.362 2.839 20 0 GFADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)c(F)c1 ZINC000925855642 664676197 /nfs/dbraw/zinc/67/61/97/664676197.db2.gz LLEIOYAPPCDFRJ-AAEUAGOBSA-N 1 3 385.277 2.924 20 0 GFADHO CC[NH+]1CCC(NC[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000579827056 677673618 /nfs/dbraw/zinc/67/36/18/677673618.db2.gz FDVQFMQFOJBWTI-CQSZACIVSA-N 1 3 391.737 2.916 20 0 GFADHO CC(C)[N@H+]1[C@@H]2CCN(c3cc(CN(C)C)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838753 720626489 /nfs/dbraw/zinc/62/64/89/720626489.db2.gz LMKBODYWJGPVFJ-PCCBWWKXSA-N 1 3 382.556 2.718 20 0 GFADHO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(CN(C)C)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838753 720626498 /nfs/dbraw/zinc/62/64/98/720626498.db2.gz LMKBODYWJGPVFJ-PCCBWWKXSA-N 1 3 382.556 2.718 20 0 GFADHO c1nc(CNC2CCC2)c2n1CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164838842 720738718 /nfs/dbraw/zinc/73/87/18/720738718.db2.gz YJBJGQPPWCWMHZ-UHFFFAOYSA-N 1 3 380.540 2.926 20 0 GFADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CCN3C2)c1 ZINC001164867271 721114317 /nfs/dbraw/zinc/11/43/17/721114317.db2.gz XPAJIHDJLRQIOX-RTWAWAEBSA-N 1 3 379.508 2.557 20 0 GFADHO Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165018725 721802771 /nfs/dbraw/zinc/80/27/71/721802771.db2.gz CEPKNSYIUBOJLK-IHPCNDPISA-N 1 3 380.540 2.983 20 0 GFADHO Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165018725 721802772 /nfs/dbraw/zinc/80/27/72/721802772.db2.gz CEPKNSYIUBOJLK-IHPCNDPISA-N 1 3 380.540 2.983 20 0 GFADHO CN(Cc1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)nc1)C1CC1 ZINC001164958019 722051406 /nfs/dbraw/zinc/05/14/06/722051406.db2.gz AKWVNUUWJHTXMA-JXHRLWIKSA-N 1 3 393.535 2.976 20 0 GFADHO C[NH+](C)CCNC(=O)C1CCN(CCCc2ccccc2Br)CC1 ZINC000182141243 552276238 /nfs/dbraw/zinc/27/62/38/552276238.db2.gz GQLCJRIBKGVHPR-UHFFFAOYSA-N 1 3 396.373 2.772 20 0 GFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422778145 563349292 /nfs/dbraw/zinc/34/92/92/563349292.db2.gz AFZPWPPVPOMAMT-DOTOQJQBSA-N 1 3 385.599 2.572 20 0 GFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422778145 563349296 /nfs/dbraw/zinc/34/92/96/563349296.db2.gz AFZPWPPVPOMAMT-DOTOQJQBSA-N 1 3 385.599 2.572 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1Br ZINC000423161996 563358026 /nfs/dbraw/zinc/35/80/26/563358026.db2.gz ONMHRKCPVJMTKV-UKPHBRMFSA-N 1 3 385.346 2.586 20 0 GFADHO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCNCC[C@H]2C)cc1Br ZINC000423161996 563358030 /nfs/dbraw/zinc/35/80/30/563358030.db2.gz ONMHRKCPVJMTKV-UKPHBRMFSA-N 1 3 385.346 2.586 20 0 GFADHO CC[C@H](Cc1ccccc1Br)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414743967 563751901 /nfs/dbraw/zinc/75/19/01/563751901.db2.gz NUNAJORTWBHELR-DOTOQJQBSA-N 1 3 396.373 2.899 20 0 GFADHO CC[C@H](Cc1ccccc1Br)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414743967 563751903 /nfs/dbraw/zinc/75/19/03/563751903.db2.gz NUNAJORTWBHELR-DOTOQJQBSA-N 1 3 396.373 2.899 20 0 GFADHO C[C@H]1C[C@H](CN2CCN(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000414748285 563752197 /nfs/dbraw/zinc/75/21/97/563752197.db2.gz NRTGTUGEWCNLBM-LSDHHAIUSA-N 1 3 380.330 2.595 20 0 GFADHO COc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc(I)c1OC ZINC000414929425 563754438 /nfs/dbraw/zinc/75/44/38/563754438.db2.gz RJBQGJMFHBSTDM-NWDGAFQWSA-N 1 3 390.265 2.668 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000414928628 563754584 /nfs/dbraw/zinc/75/45/84/563754584.db2.gz NALRRBWBVTZVTL-ACJLOTCBSA-N 1 3 394.357 2.950 20 0 GFADHO Cc1cc(Br)ccc1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965472 563755075 /nfs/dbraw/zinc/75/50/75/563755075.db2.gz CYRMMOXTXCMNGJ-AWEZNQCLSA-N 1 3 380.252 2.683 20 0 GFADHO NCC(=O)N1CCC[C@H](C[NH2+]CC2(c3ccc(Br)cc3)CCC2)C1 ZINC000415082471 563758911 /nfs/dbraw/zinc/75/89/11/563758911.db2.gz OKVXCNMMZLUYHZ-OAHLLOKOSA-N 1 3 394.357 2.658 20 0 GFADHO Cc1nn(C)c(CNCC2(N3CCCCC3)CC[NH+](C)CC2)c1Br ZINC000364766002 563763287 /nfs/dbraw/zinc/76/32/87/563763287.db2.gz ZMMSMVVWVTUPRY-UHFFFAOYSA-N 1 3 398.393 2.531 20 0 GFADHO [NH3+]CC[C@H](NC(=O)NCC1CCN(Cc2cccs2)CC1)C(F)(F)F ZINC000415989360 563801016 /nfs/dbraw/zinc/80/10/16/563801016.db2.gz ADJMTZQPNDGXBV-AWEZNQCLSA-N 1 3 378.464 2.539 20 0 GFADHO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000571681752 564561869 /nfs/dbraw/zinc/56/18/69/564561869.db2.gz DDRJEKGUGZZOJI-XIRDDKMYSA-N 1 3 394.357 2.948 20 0 GFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685745 564756619 /nfs/dbraw/zinc/75/66/19/564756619.db2.gz BEYLLRRBRKRASV-WBAXXEDZSA-N 1 3 385.321 2.956 20 0 GFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685745 564756622 /nfs/dbraw/zinc/75/66/22/564756622.db2.gz BEYLLRRBRKRASV-WBAXXEDZSA-N 1 3 385.321 2.956 20 0 GFADHO C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Br)s1 ZINC000530641866 564890546 /nfs/dbraw/zinc/89/05/46/564890546.db2.gz WOIAWCCZDFSLNR-GFCCVEGCSA-N 1 3 376.364 2.566 20 0 GFADHO CC[NH+](CC)CCSCC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000469040182 565003399 /nfs/dbraw/zinc/00/33/99/565003399.db2.gz UKYHHWVAFHAZPV-UHFFFAOYSA-N 1 3 387.659 2.929 20 0 GFADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000469136484 565006893 /nfs/dbraw/zinc/00/68/93/565006893.db2.gz IJCZFQPXCDUNRF-HNNXBMFYSA-N 1 3 395.345 2.807 20 0 GFADHO CN(C)CCN(C)c1ccc(Br)cc1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636066535 565088848 /nfs/dbraw/zinc/08/88/48/565088848.db2.gz VZGJZJZTYDIDTP-AWEZNQCLSA-N 1 3 397.361 2.727 20 0 GFADHO CN(C)CCN(C)c1ccc(Br)cc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636066535 565088851 /nfs/dbraw/zinc/08/88/51/565088851.db2.gz VZGJZJZTYDIDTP-AWEZNQCLSA-N 1 3 397.361 2.727 20 0 GFADHO CN1CC[NH+](CCCCNCc2nc3cc(Br)ccc3o2)CC1 ZINC000638360093 565194191 /nfs/dbraw/zinc/19/41/91/565194191.db2.gz OFBUCLVQSOKPDG-UHFFFAOYSA-N 1 3 381.318 2.708 20 0 GFADHO CN1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638412990 565195003 /nfs/dbraw/zinc/19/50/03/565195003.db2.gz VYTFNMKQCGIVOU-FHWLQOOXSA-N 1 3 396.373 2.631 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccsc1Br ZINC000664838407 565481207 /nfs/dbraw/zinc/48/12/07/565481207.db2.gz SZTWCMAKQQVDJY-LBPRGKRZSA-N 1 3 391.379 2.582 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccsc1Br ZINC000664838407 565481213 /nfs/dbraw/zinc/48/12/13/565481213.db2.gz SZTWCMAKQQVDJY-LBPRGKRZSA-N 1 3 391.379 2.582 20 0 GFADHO C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820426486 599375296 /nfs/dbraw/zinc/37/52/96/599375296.db2.gz KNZUKPIQXJGWSZ-MRXNPFEDSA-N 1 3 380.496 2.700 20 0 GFADHO C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820426486 599375299 /nfs/dbraw/zinc/37/52/99/599375299.db2.gz KNZUKPIQXJGWSZ-MRXNPFEDSA-N 1 3 380.496 2.700 20 0 GFADHO C[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000824598554 608280637 /nfs/dbraw/zinc/28/06/37/608280637.db2.gz GESBAAZYAZXEBP-MRXNPFEDSA-N 1 3 396.495 2.537 20 0 GFADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1Br ZINC000819083905 660245828 /nfs/dbraw/zinc/24/58/28/660245828.db2.gz HRXCGRWUSJQDAT-RDTXWAMCSA-N 1 3 383.330 2.573 20 0 GFADHO COc1sc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1Br ZINC000269505689 655011825 /nfs/dbraw/zinc/01/18/25/655011825.db2.gz RJHXJOPEKHFSDX-UHFFFAOYSA-N 1 3 377.348 2.844 20 0 GFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000840764820 661185232 /nfs/dbraw/zinc/18/52/32/661185232.db2.gz AODZXJVJJJLDPN-AEFFLSMTSA-N 1 3 380.627 2.960 20 0 GFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000840764820 661185237 /nfs/dbraw/zinc/18/52/37/661185237.db2.gz AODZXJVJJJLDPN-AEFFLSMTSA-N 1 3 380.627 2.960 20 0 GFADHO C[NH+]1CCC(N2CC[C@H](NCc3cc(Br)cnc3Cl)C2)CC1 ZINC000842680307 661348814 /nfs/dbraw/zinc/34/88/14/661348814.db2.gz OZEQYESKQBXRGD-AWEZNQCLSA-N 1 3 387.753 2.756 20 0 GFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000849088014 661691289 /nfs/dbraw/zinc/69/12/89/661691289.db2.gz NGGFZPOZNVOQDB-UKRRQHHQSA-N 1 3 383.334 2.815 20 0 GFADHO COCCN(Cc1cnc2ccc(Br)cn12)CC1CC[NH+](C)CC1 ZINC000877665637 662881249 /nfs/dbraw/zinc/88/12/49/662881249.db2.gz ZPYHPWLZCSISJA-UHFFFAOYSA-N 1 3 395.345 2.887 20 0 GFADHO C[NH+]1CCC(NC(=O)CN[C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000878644511 662901539 /nfs/dbraw/zinc/90/15/39/662901539.db2.gz XHEVKCUKLVKDHB-SFHVURJKSA-N 1 3 394.357 2.873 20 0 GFADHO C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000893354364 663408067 /nfs/dbraw/zinc/40/80/67/663408067.db2.gz JUOUHVWDKYZLFP-IEBWSBKVSA-N 1 3 394.357 2.775 20 0 GFADHO COc1c(Br)cccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980747 663814988 /nfs/dbraw/zinc/81/49/88/663814988.db2.gz ZEFINWRUFUSLQX-CALCHBBNSA-N 1 3 394.357 2.858 20 0 GFADHO COc1c(Br)cccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980747 663814993 /nfs/dbraw/zinc/81/49/93/663814993.db2.gz ZEFINWRUFUSLQX-CALCHBBNSA-N 1 3 394.357 2.858 20 0 GFADHO COc1c(Br)cccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980747 663814997 /nfs/dbraw/zinc/81/49/97/663814997.db2.gz ZEFINWRUFUSLQX-CALCHBBNSA-N 1 3 394.357 2.858 20 0 GFADHO Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165018723 721802867 /nfs/dbraw/zinc/80/28/67/721802867.db2.gz CEPKNSYIUBOJLK-DFQSSKMNSA-N 1 3 380.540 2.983 20 0 GFADHO Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165018723 721802868 /nfs/dbraw/zinc/80/28/68/721802868.db2.gz CEPKNSYIUBOJLK-DFQSSKMNSA-N 1 3 380.540 2.983 20 0 GFADHO OC1C2CC3CN(Cc4nnc(-c5ccccc5Br)o4)C1C3C2 ZINC000249355320 553142183 /nfs/dbraw/zinc/14/21/83/553142183.db2.gz AAQITZUZPGMDNR-DYZFCQSDSA-N 1 3 376.254 2.700 20 0 GFADHO OC1C2CC3C[N@H+](Cc4nnc(-c5ccccc5Br)o4)C1C3C2 ZINC000249355320 553142184 /nfs/dbraw/zinc/14/21/84/553142184.db2.gz AAQITZUZPGMDNR-DYZFCQSDSA-N 1 3 376.254 2.700 20 0 GFADHO OC1C2CC3C[N@@H+](Cc4nnc(-c5ccccc5Br)o4)C1C3C2 ZINC000249355320 553142186 /nfs/dbraw/zinc/14/21/86/553142186.db2.gz AAQITZUZPGMDNR-DYZFCQSDSA-N 1 3 376.254 2.700 20 0 GFADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000418697678 563222743 /nfs/dbraw/zinc/22/27/43/563222743.db2.gz MEUIWZXRYNYJMR-KGLIPLIRSA-N 1 3 397.361 2.791 20 0 GFADHO CCOC(=O)C1([C@@H](C)NCc2cc(Br)ccc2F)CC[NH2+]CC1 ZINC000422815956 563350066 /nfs/dbraw/zinc/35/00/66/563350066.db2.gz YUOVGOWHHWTQJJ-GFCCVEGCSA-N 1 3 387.293 2.999 20 0 GFADHO COc1ccc(C[C@H](CO)CN[C@@H]2CCCCC[C@@H]2[NH3+])cc1Br ZINC000423154880 563357004 /nfs/dbraw/zinc/35/70/04/563357004.db2.gz KHIIKVSVDWOXDA-BHYGNILZSA-N 1 3 385.346 2.858 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423196516 563358872 /nfs/dbraw/zinc/35/88/72/563358872.db2.gz ZWTBVSDFOQNNPG-ZOCIIQOWSA-N 1 3 396.373 2.755 20 0 GFADHO COc1cc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1SC ZINC000423377732 563360413 /nfs/dbraw/zinc/36/04/13/563360413.db2.gz FGDQGQOADDKQCP-MLGOLLRUSA-N 1 3 377.476 2.904 20 0 GFADHO [NH3+]CC[C@@H](NC(=O)NCC1CCN(Cc2cccs2)CC1)C(F)(F)F ZINC000415989361 563801229 /nfs/dbraw/zinc/80/12/29/563801229.db2.gz ADJMTZQPNDGXBV-CQSZACIVSA-N 1 3 378.464 2.539 20 0 GFADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232107 564454500 /nfs/dbraw/zinc/45/45/00/564454500.db2.gz JYELKKIIMJZPIL-GDBMZVCRSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232107 564454503 /nfs/dbraw/zinc/45/45/03/564454503.db2.gz JYELKKIIMJZPIL-GDBMZVCRSA-N 1 3 391.339 2.824 20 0 GFADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@@H]2CCC[C@H]21 ZINC000552275876 564684264 /nfs/dbraw/zinc/68/42/64/564684264.db2.gz CQLLNIGEPABDRU-NXNVCVFFSA-N 1 3 383.330 2.651 20 0 GFADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2ccccc2Br)[C@@H]2CCC[C@H]21 ZINC000552275876 564684270 /nfs/dbraw/zinc/68/42/70/564684270.db2.gz CQLLNIGEPABDRU-NXNVCVFFSA-N 1 3 383.330 2.651 20 0 GFADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2ccccc2Br)[C@@H]2CCC[C@H]21 ZINC000552275876 564684276 /nfs/dbraw/zinc/68/42/76/564684276.db2.gz CQLLNIGEPABDRU-NXNVCVFFSA-N 1 3 383.330 2.651 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCc1ccccc1Br ZINC000532268048 564933137 /nfs/dbraw/zinc/93/31/37/564933137.db2.gz PCWNVUUSYOTDQJ-UHFFFAOYSA-N 1 3 384.362 2.724 20 0 GFADHO COCC[NH+]1CCC(NCc2ccc(I)c(C)c2)CC1 ZINC000467382446 564962009 /nfs/dbraw/zinc/96/20/09/564962009.db2.gz OZLHLJPTUUMJDW-UHFFFAOYSA-N 1 3 388.293 2.800 20 0 GFADHO C[NH+]1CCC([C@@H]2CCN(Cc3cnn4cc(Br)cnc34)C2)CC1 ZINC000639176688 565230551 /nfs/dbraw/zinc/23/05/51/565230551.db2.gz JALUWRAMUFLNCD-CQSZACIVSA-N 1 3 378.318 2.656 20 0 GFADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000660651811 565288277 /nfs/dbraw/zinc/28/82/77/565288277.db2.gz CKQZVEPYZCPRRJ-WMZOPIPTSA-N 1 3 383.330 2.607 20 0 GFADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000660651811 565288278 /nfs/dbraw/zinc/28/82/78/565288278.db2.gz CKQZVEPYZCPRRJ-WMZOPIPTSA-N 1 3 383.330 2.607 20 0 GFADHO O=S1(=O)CC[C@H](NCC[C@@H]2CCC[NH2+]C2)c2cc(Br)ccc21 ZINC000643510616 565435357 /nfs/dbraw/zinc/43/53/57/565435357.db2.gz ZDDIILWJYQHBJD-WFASDCNBSA-N 1 3 387.343 2.647 20 0 GFADHO Brc1ccc(CN[C@H]2CC23CC[NH2+]CC3)c(N2CCOCC2)c1 ZINC000666955405 565564375 /nfs/dbraw/zinc/56/43/75/565564375.db2.gz GUKINGZFQKQBFT-KRWDZBQOSA-N 1 3 380.330 2.517 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1c(Cl)cccc1Br ZINC000668302349 565638573 /nfs/dbraw/zinc/63/85/73/565638573.db2.gz FIZMVOQXXSIRCJ-UHFFFAOYSA-N 1 3 390.753 2.597 20 0 GFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000627168632 565725249 /nfs/dbraw/zinc/72/52/49/565725249.db2.gz ACGNAXADFULAMK-DLBZAZTESA-N 1 3 397.361 2.663 20 0 GFADHO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCCOCCC[NH3+] ZINC000629680442 565866346 /nfs/dbraw/zinc/86/63/46/565866346.db2.gz QSPSMLTZAZGEEJ-UHFFFAOYSA-N 1 3 381.318 2.707 20 0 GFADHO CC[NH+](CC)Cc1ccc(C[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821197144 606847139 /nfs/dbraw/zinc/84/71/39/606847139.db2.gz GSURWHXDJOONIQ-FQEVSTJZSA-N 1 3 380.496 2.532 20 0 GFADHO COc1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1-c1nnn[n-]1 ZINC000826202103 608287029 /nfs/dbraw/zinc/28/70/29/608287029.db2.gz OAYIWGZRYOQCBA-HNNXBMFYSA-N 1 3 396.495 2.667 20 0 GFADHO C[C@@H]1C[C@@H](NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@@H+]1C ZINC000127071811 654824099 /nfs/dbraw/zinc/82/40/99/654824099.db2.gz JXDNFXDGDNROFQ-CVEARBPZSA-N 1 3 385.599 2.538 20 0 GFADHO C[C@@H]1C[C@@H](NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@H+]1C ZINC000127071811 654824104 /nfs/dbraw/zinc/82/41/04/654824104.db2.gz JXDNFXDGDNROFQ-CVEARBPZSA-N 1 3 385.599 2.538 20 0 GFADHO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174711128 655206173 /nfs/dbraw/zinc/20/61/73/655206173.db2.gz PMRFZWLUNZWTFB-AWEZNQCLSA-N 1 3 387.355 2.890 20 0 GFADHO C[N@@H+]1CC[C@@H](CCOC(=O)C2CCN(c3ccccc3Br)C2=O)C1 ZINC000847825832 661612330 /nfs/dbraw/zinc/61/23/30/661612330.db2.gz RQOHZQGNWUUYCW-KBPBESRZSA-N 1 3 395.297 2.687 20 0 GFADHO C[N@H+]1CC[C@@H](CCOC(=O)C2CCN(c3ccccc3Br)C2=O)C1 ZINC000847825832 661612333 /nfs/dbraw/zinc/61/23/33/661612333.db2.gz RQOHZQGNWUUYCW-KBPBESRZSA-N 1 3 395.297 2.687 20 0 GFADHO C[N@@H+]1CC[C@H](CCOC(=O)C2CCN(c3ccccc3Br)C2=O)C1 ZINC000847825833 661612389 /nfs/dbraw/zinc/61/23/89/661612389.db2.gz RQOHZQGNWUUYCW-KGLIPLIRSA-N 1 3 395.297 2.687 20 0 GFADHO C[N@H+]1CC[C@H](CCOC(=O)C2CCN(c3ccccc3Br)C2=O)C1 ZINC000847825833 661612392 /nfs/dbraw/zinc/61/23/92/661612392.db2.gz RQOHZQGNWUUYCW-KGLIPLIRSA-N 1 3 395.297 2.687 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000902319427 663759014 /nfs/dbraw/zinc/75/90/14/663759014.db2.gz LDQQKDNIYIGZLN-OAHLLOKOSA-N 1 3 387.615 2.689 20 0 GFADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CC1 ZINC000902466239 663761773 /nfs/dbraw/zinc/76/17/73/663761773.db2.gz KUEYVSAUGUHHSD-BPQIPLTHSA-N 1 3 392.341 2.845 20 0 GFADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905106210 663853552 /nfs/dbraw/zinc/85/35/52/663853552.db2.gz OGECHJAYQYDWLI-KRWDZBQOSA-N 1 3 388.339 2.559 20 0 GFADHO Cc1c(Br)cncc1CN[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922388429 664598211 /nfs/dbraw/zinc/59/82/11/664598211.db2.gz DWJFCTIHMXREBG-BRSBDYLESA-N 1 3 382.346 2.722 20 0 GFADHO Cc1c(Br)cncc1CN[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922388429 664598212 /nfs/dbraw/zinc/59/82/12/664598212.db2.gz DWJFCTIHMXREBG-BRSBDYLESA-N 1 3 382.346 2.722 20 0 GFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cncc(Br)c3)C2)[C@H]1C(C)C ZINC000922395157 664599461 /nfs/dbraw/zinc/59/94/61/664599461.db2.gz UJHGHYZWIVMYOW-TVFCKZIOSA-N 1 3 382.346 2.804 20 0 GFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cncc(Br)c3)C2)[C@H]1C(C)C ZINC000922395157 664599468 /nfs/dbraw/zinc/59/94/68/664599468.db2.gz UJHGHYZWIVMYOW-TVFCKZIOSA-N 1 3 382.346 2.804 20 0 GFADHO O=C1O[C@H](CN[C@H]2CCc3c2ccc(F)c3Br)CC12CC[NH2+]CC2 ZINC000925848117 664675762 /nfs/dbraw/zinc/67/57/62/664675762.db2.gz AFGMAKSJCFXDAJ-NHYWBVRUSA-N 1 3 397.288 2.850 20 0 GFADHO CCOC(=O)C1CCN(C2CCN(c3cc(N4CCCC4)cc[nH+]3)CC2)CC1 ZINC001164617397 719029373 /nfs/dbraw/zinc/02/93/73/719029373.db2.gz KTCWPEQNTKZKHX-UHFFFAOYSA-N 1 3 386.540 2.926 20 0 GFADHO c1ccc(N(c2ccc(CN3CCCC3)cn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)nc1 ZINC001164959717 722051097 /nfs/dbraw/zinc/05/10/97/722051097.db2.gz NKVHENMURBVEMB-MIZPHKNDSA-N 1 3 393.535 2.978 20 0 GFADHO COCC1(CNCc2c(Br)cc(OC)cc2OC)CC[NH2+]CC1 ZINC000414978019 563756126 /nfs/dbraw/zinc/75/61/26/563756126.db2.gz SBMZAJNVSVREBQ-UHFFFAOYSA-N 1 3 387.318 2.572 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)s1 ZINC000192820170 552974603 /nfs/dbraw/zinc/97/46/03/552974603.db2.gz HEHCPGDPIYCZBB-MQVJKMGUSA-N 1 3 385.599 2.536 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000192820170 552974604 /nfs/dbraw/zinc/97/46/04/552974604.db2.gz HEHCPGDPIYCZBB-MQVJKMGUSA-N 1 3 385.599 2.536 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000192820170 552974605 /nfs/dbraw/zinc/97/46/05/552974605.db2.gz HEHCPGDPIYCZBB-MQVJKMGUSA-N 1 3 385.599 2.536 20 0 GFADHO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCNCC[C@H]2C)c1 ZINC000422901426 563350095 /nfs/dbraw/zinc/35/00/95/563350095.db2.gz CACHJXGFDACSCF-DYVFJYSZSA-N 1 3 398.345 2.555 20 0 GFADHO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000422910509 563350845 /nfs/dbraw/zinc/35/08/45/563350845.db2.gz QVKJDEQIHJMRLQ-GUYCJALGSA-N 1 3 398.345 2.685 20 0 GFADHO CC1(C)CC([NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)CC(C)(C)N1 ZINC000363566213 563726932 /nfs/dbraw/zinc/72/69/32/563726932.db2.gz NUBJKWMPUIJZSJ-UHFFFAOYSA-N 1 3 385.599 2.800 20 0 GFADHO CN1CCN(CC[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1(C)C ZINC000442874499 563781911 /nfs/dbraw/zinc/78/19/11/563781911.db2.gz MHOQGPFGGOXROP-SFHVURJKSA-N 1 3 380.374 2.922 20 0 GFADHO CSCc1cnc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000293715583 563822317 /nfs/dbraw/zinc/82/23/17/563822317.db2.gz YCZWVLGKLOLFOL-UHFFFAOYSA-N 1 3 377.583 2.703 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1nc2ccccc2cc1Br ZINC000564309579 564227711 /nfs/dbraw/zinc/22/77/11/564227711.db2.gz GZWDBCVEETWLMV-UHFFFAOYSA-N 1 3 393.329 2.563 20 0 GFADHO C[C@H](CCc1ccc(I)cc1)[NH2+]CCOCCN(C)C ZINC000479459130 564440767 /nfs/dbraw/zinc/44/07/67/564440767.db2.gz ZRLHKWYTCXQWFN-CQSZACIVSA-N 1 3 390.309 2.780 20 0 GFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1sccc1Br ZINC000572028224 564578145 /nfs/dbraw/zinc/57/81/45/564578145.db2.gz NOSQTMZASCNRTD-ZBINZKHDSA-N 1 3 386.359 2.808 20 0 GFADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000581801511 564818577 /nfs/dbraw/zinc/81/85/77/564818577.db2.gz ILVZZJHJUQKZEH-DLTWYDFYSA-N 1 3 385.961 2.677 20 0 GFADHO CN(CCCN(C)Cc1nc2ccc(Br)cc2o1)CC[NH+](C)C ZINC000463216815 564872727 /nfs/dbraw/zinc/87/27/27/564872727.db2.gz YFXDOVBIFHBXRS-UHFFFAOYSA-N 1 3 383.334 2.906 20 0 GFADHO COc1sc(CN[C@@H](C)CN(C)CCC[NH+](C)C)cc1Br ZINC000657572587 565110299 /nfs/dbraw/zinc/11/02/99/565110299.db2.gz BVLVFBUGHNUDJG-LBPRGKRZSA-N 1 3 378.380 2.881 20 0 GFADHO C[NH+](C)CCN1CCC(NCc2nc3cc(Br)ccc3o2)CC1 ZINC000638357046 565193959 /nfs/dbraw/zinc/19/39/59/565193959.db2.gz UUGCEQFAMXJLGK-UHFFFAOYSA-N 1 3 381.318 2.706 20 0 GFADHO CN(C)CC[NH+]1CCC(NCc2nc3cc(Br)ccc3o2)CC1 ZINC000638357046 565193967 /nfs/dbraw/zinc/19/39/67/565193967.db2.gz UUGCEQFAMXJLGK-UHFFFAOYSA-N 1 3 381.318 2.706 20 0 GFADHO CN1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638413019 565194955 /nfs/dbraw/zinc/19/49/55/565194955.db2.gz VYTFNMKQCGIVOU-OTWHNJEPSA-N 1 3 396.373 2.631 20 0 GFADHO Brc1ccc(-c2n[n-]c(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000647791448 565676997 /nfs/dbraw/zinc/67/69/97/565676997.db2.gz DGSUKXZNMSSYFB-GZBFAFLISA-N 1 3 376.302 2.712 20 0 GFADHO Brc1ccc(-c2nnc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)[n-]2)cc1 ZINC000647791448 565676999 /nfs/dbraw/zinc/67/69/99/565676999.db2.gz DGSUKXZNMSSYFB-GZBFAFLISA-N 1 3 376.302 2.712 20 0 GFADHO Cc1cc([C@H](N)CC(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc(Cl)n1 ZINC000841857534 661316618 /nfs/dbraw/zinc/31/66/18/661316618.db2.gz URFXZJKERHALNY-CYBMUJFWSA-N 1 3 379.917 2.996 20 0 GFADHO [NH3+]CCCCCCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000843340837 661378259 /nfs/dbraw/zinc/37/82/59/661378259.db2.gz FSZRVMOFUKGLOY-AWEZNQCLSA-N 1 3 375.332 2.776 20 0 GFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000857384698 662078505 /nfs/dbraw/zinc/07/85/05/662078505.db2.gz WRDNMAUCBCFFBB-HNNXBMFYSA-N 1 3 376.372 2.883 20 0 GFADHO C[NH+](C)Cc1cc(CNC(=O)[C@H](N)c2ccc(Br)cc2)ccc1F ZINC000884220412 663067222 /nfs/dbraw/zinc/06/72/22/663067222.db2.gz RMQNTZWPPRMGQU-QGZVFWFLSA-N 1 3 394.288 2.966 20 0 GFADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923300262 664627828 /nfs/dbraw/zinc/62/78/28/664627828.db2.gz PHXTWBXWJXLYLV-IUODEOHRSA-N 1 3 379.726 2.805 20 0 GFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@@H](O)c3cccc(Br)c3)C2)C1 ZINC000923390266 664629409 /nfs/dbraw/zinc/62/94/09/664629409.db2.gz WEPKYGMBWTXNPI-HPBDAGMYSA-N 1 3 383.330 2.701 20 0 GFADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999494 664664937 /nfs/dbraw/zinc/66/49/37/664664937.db2.gz JDFLXSADWZPBQP-PBHICJAKSA-N 1 3 394.357 2.790 20 0 GFADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999494 664664939 /nfs/dbraw/zinc/66/49/39/664664939.db2.gz JDFLXSADWZPBQP-PBHICJAKSA-N 1 3 394.357 2.790 20 0 GFADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)c(Br)c1 ZINC000925850822 664675887 /nfs/dbraw/zinc/67/58/87/664675887.db2.gz BRMVYWLFELXJIJ-WCQYABFASA-N 1 3 385.277 2.924 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)c(Br)cc1F ZINC000133157097 551382352 /nfs/dbraw/zinc/38/23/52/551382352.db2.gz CCTWZSUDSOIXKX-UHFFFAOYSA-N 1 3 393.276 2.684 20 0 GFADHO O=C(N[C@H]1CC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418360587 563216535 /nfs/dbraw/zinc/21/65/35/563216535.db2.gz GDVKIKOTZUEQIW-HNNXBMFYSA-N 1 3 385.339 2.963 20 0 GFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCC(=O)N(C)Cc1ccccc1Br ZINC000422903326 563349865 /nfs/dbraw/zinc/34/98/65/563349865.db2.gz FKTABZONPIYRQM-RHSMWYFYSA-N 1 3 382.346 2.775 20 0 GFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425101293 563405551 /nfs/dbraw/zinc/40/55/51/563405551.db2.gz ZLLCGDOKYBAPFP-ZFWWWQNUSA-N 1 3 397.361 2.583 20 0 GFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425101293 563405553 /nfs/dbraw/zinc/40/55/53/563405553.db2.gz ZLLCGDOKYBAPFP-ZFWWWQNUSA-N 1 3 397.361 2.583 20 0 GFADHO NC(=O)[C@H]1CCC[N@H+](CCCNC2CC(c3cccc(Br)c3)C2)C1 ZINC000432410010 563583603 /nfs/dbraw/zinc/58/36/03/563583603.db2.gz LAOSIQHPVDGRNZ-HJOIGYKYSA-N 1 3 394.357 2.872 20 0 GFADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC2CC(c3cccc(Br)c3)C2)C1 ZINC000432410010 563583606 /nfs/dbraw/zinc/58/36/06/563583606.db2.gz LAOSIQHPVDGRNZ-HJOIGYKYSA-N 1 3 394.357 2.872 20 0 GFADHO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414670643 563749197 /nfs/dbraw/zinc/74/91/97/563749197.db2.gz DKWDPTSVONVENP-INIZCTEOSA-N 1 3 382.346 2.857 20 0 GFADHO CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414670643 563749199 /nfs/dbraw/zinc/74/91/99/563749199.db2.gz DKWDPTSVONVENP-INIZCTEOSA-N 1 3 382.346 2.857 20 0 GFADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000414748282 563751719 /nfs/dbraw/zinc/75/17/19/563751719.db2.gz NRTGTUGEWCNLBM-CABCVRRESA-N 1 3 380.330 2.595 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3cccc(Br)c3)CC2)C1 ZINC000414739321 563751851 /nfs/dbraw/zinc/75/18/51/563751851.db2.gz CICBYFNRUVPHOX-HNNXBMFYSA-N 1 3 394.357 2.826 20 0 GFADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000414739945 563751896 /nfs/dbraw/zinc/75/18/96/563751896.db2.gz CLUISXSJZZXWEN-OAHLLOKOSA-N 1 3 394.357 2.826 20 0 GFADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000367244960 563837946 /nfs/dbraw/zinc/83/79/46/563837946.db2.gz URGDHXJIPHCFJR-OAOYMFHYSA-N 1 3 397.357 2.962 20 0 GFADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000367244960 563837948 /nfs/dbraw/zinc/83/79/48/563837948.db2.gz URGDHXJIPHCFJR-OAOYMFHYSA-N 1 3 397.357 2.962 20 0 GFADHO C(CCN1CCO[C@@]2(CCSC2)C1)CC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000573560748 564643589 /nfs/dbraw/zinc/64/35/89/564643589.db2.gz BONNNDCZJPETDV-OALUTQOASA-N 1 3 386.627 2.573 20 0 GFADHO C(CCN1CCO[C@@]2(CCSC2)C1)CC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000573560748 564643590 /nfs/dbraw/zinc/64/35/90/564643590.db2.gz BONNNDCZJPETDV-OALUTQOASA-N 1 3 386.627 2.573 20 0 GFADHO Ic1ccc(OCCNC2CC[NH+](C3CC3)CC2)cc1 ZINC000459550816 564750666 /nfs/dbraw/zinc/75/06/66/564750666.db2.gz YWQQZOHGGFOTPL-UHFFFAOYSA-N 1 3 386.277 2.886 20 0 GFADHO C[C@H]1C[N@H+](CCOc2ccc(Br)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490699963 564780170 /nfs/dbraw/zinc/78/01/70/564780170.db2.gz OMWHIOVQYYGIMW-QFBILLFUSA-N 1 3 396.373 2.786 20 0 GFADHO C[C@H]1C[N@@H+](CCOc2ccc(Br)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490699963 564780176 /nfs/dbraw/zinc/78/01/76/564780176.db2.gz OMWHIOVQYYGIMW-QFBILLFUSA-N 1 3 396.373 2.786 20 0 GFADHO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000581801512 564818382 /nfs/dbraw/zinc/81/83/82/564818382.db2.gz ILVZZJHJUQKZEH-HWMZRRJGSA-N 1 3 385.961 2.677 20 0 GFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1sccc1Br ZINC000531967888 564926096 /nfs/dbraw/zinc/92/60/96/564926096.db2.gz GSQTUMDDTCKKCH-CQSZACIVSA-N 1 3 390.391 2.551 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636873842 565128812 /nfs/dbraw/zinc/12/88/12/565128812.db2.gz PQVZPNBMXKSFKJ-KRWDZBQOSA-N 1 3 397.361 2.664 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Br)c(F)cc1F ZINC000617506931 565244230 /nfs/dbraw/zinc/24/42/30/565244230.db2.gz COTVFJKAJOQNOI-NSHDSACASA-N 1 3 392.288 2.729 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Br)c(F)cc1F ZINC000617506931 565244234 /nfs/dbraw/zinc/24/42/34/565244234.db2.gz COTVFJKAJOQNOI-NSHDSACASA-N 1 3 392.288 2.729 20 0 GFADHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(F)ccc2Br)CC1 ZINC000663503436 565424452 /nfs/dbraw/zinc/42/44/52/565424452.db2.gz HWCRHQQDLOIYKV-UHFFFAOYSA-N 1 3 386.309 2.668 20 0 GFADHO O=S1(=O)CC[C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cc(Br)ccc21 ZINC000643549148 565435721 /nfs/dbraw/zinc/43/57/21/565435721.db2.gz JARPTPFRVAYERX-NCZKRNLISA-N 1 3 399.354 2.645 20 0 GFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@H]21 ZINC000629519376 565857501 /nfs/dbraw/zinc/85/75/01/565857501.db2.gz PWSPYQSLGHODSO-MMTVNHQJSA-N 1 3 378.314 2.762 20 0 GFADHO COc1cc(CNCCCC[N@@H+]2CCC[C@@H]2CO)c(F)cc1Br ZINC000631067668 565938817 /nfs/dbraw/zinc/93/88/17/565938817.db2.gz DVZLPOFHTAGYPD-CQSZACIVSA-N 1 3 389.309 2.923 20 0 GFADHO COc1cc(CNCCCC[N@H+]2CCC[C@@H]2CO)c(F)cc1Br ZINC000631067668 565938822 /nfs/dbraw/zinc/93/88/22/565938822.db2.gz DVZLPOFHTAGYPD-CQSZACIVSA-N 1 3 389.309 2.923 20 0 GFADHO C[C@H](Cn1cc(Br)ccc1=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635005405 566187972 /nfs/dbraw/zinc/18/79/72/566187972.db2.gz IQPZMDMTTWWOLT-PBHICJAKSA-N 1 3 378.314 2.549 20 0 GFADHO [NH3+]C[C@H]1CC[C@H](N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000635007655 566188404 /nfs/dbraw/zinc/18/84/04/566188404.db2.gz WXFSZKGNMPXBKJ-WHOFXGATSA-N 1 3 387.343 2.775 20 0 GFADHO C[C@@H](Cn1cc(Br)ccc1=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635005409 566188669 /nfs/dbraw/zinc/18/86/69/566188669.db2.gz IQPZMDMTTWWOLT-WMLDXEAASA-N 1 3 378.314 2.549 20 0 GFADHO CC[N@H+](CCOc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736536123 598509785 /nfs/dbraw/zinc/50/97/85/598509785.db2.gz DHFPPORRDXEHHT-UHFFFAOYSA-N 1 3 380.496 2.829 20 0 GFADHO CC[N@@H+](CCOc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736536123 598509788 /nfs/dbraw/zinc/50/97/88/598509788.db2.gz DHFPPORRDXEHHT-UHFFFAOYSA-N 1 3 380.496 2.829 20 0 GFADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000819083594 660245824 /nfs/dbraw/zinc/24/58/24/660245824.db2.gz BRKYWWWJVAQOBL-RDTXWAMCSA-N 1 3 383.330 2.573 20 0 GFADHO CN(C)C[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000113516155 655211621 /nfs/dbraw/zinc/21/16/21/655211621.db2.gz YMEUVBWKKBCBRG-CQSZACIVSA-N 1 3 388.293 2.944 20 0 GFADHO CN(C)C[C@H]1CC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000113516155 655211624 /nfs/dbraw/zinc/21/16/24/655211624.db2.gz YMEUVBWKKBCBRG-CQSZACIVSA-N 1 3 388.293 2.944 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccnc1SC(F)(F)F ZINC000855346035 661987264 /nfs/dbraw/zinc/98/72/64/661987264.db2.gz MCVGLEFHNQHTLZ-LBPRGKRZSA-N 1 3 378.464 2.695 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccnc1SC(F)(F)F ZINC000855346035 661987273 /nfs/dbraw/zinc/98/72/73/661987273.db2.gz MCVGLEFHNQHTLZ-LBPRGKRZSA-N 1 3 378.464 2.695 20 0 GFADHO COc1ccc(Br)cc1C1(NC[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903764451 663806171 /nfs/dbraw/zinc/80/61/71/663806171.db2.gz RXLWFLHJMWDXMD-PBHICJAKSA-N 1 3 381.314 2.805 20 0 GFADHO [NH3+][C@@H](CNC1CCN(Cc2cccc(Br)c2)CC1)CC(F)F ZINC000903929129 663812221 /nfs/dbraw/zinc/81/22/21/663812221.db2.gz AQCFHGOXRCFEIE-CQSZACIVSA-N 1 3 376.289 2.986 20 0 GFADHO CC(C)[C@](C)(C[NH3+])NC[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923300261 664627797 /nfs/dbraw/zinc/62/77/97/664627797.db2.gz PHXTWBXWJXLYLV-DOMZBBRYSA-N 1 3 379.726 2.805 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(Br)nc3)CC2)CC1 ZINC000122228089 551296228 /nfs/dbraw/zinc/29/62/28/551296228.db2.gz KYJPQWFZOKQVJD-UHFFFAOYSA-N 1 3 396.333 2.524 20 0 GFADHO O=C(NCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000166450069 551632057 /nfs/dbraw/zinc/63/20/57/551632057.db2.gz AMFIEPLZTPHHJU-IAGOWNOFSA-N 1 3 380.330 2.785 20 0 GFADHO O=C(NCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000166450069 551632059 /nfs/dbraw/zinc/63/20/59/551632059.db2.gz AMFIEPLZTPHHJU-IAGOWNOFSA-N 1 3 380.330 2.785 20 0 GFADHO CN(Cc1cc(Br)ccc1C[N@H+](C)CC(C)(C)O)CC(C)(C)O ZINC000192073347 552549115 /nfs/dbraw/zinc/54/91/15/552549115.db2.gz UWUWDQCEFIBIRC-UHFFFAOYSA-N 1 3 387.362 2.855 20 0 GFADHO CN(Cc1cc(Br)ccc1C[N@@H+](C)CC(C)(C)O)CC(C)(C)O ZINC000192073347 552549117 /nfs/dbraw/zinc/54/91/17/552549117.db2.gz UWUWDQCEFIBIRC-UHFFFAOYSA-N 1 3 387.362 2.855 20 0 GFADHO FC(F)(F)[C@H](CN[C@H]1CCc2cc(Br)ccc21)N1CC[NH2+]CC1 ZINC000423384229 563360164 /nfs/dbraw/zinc/36/01/64/563360164.db2.gz KATRZPRCDLJNDF-GJZGRUSLSA-N 1 3 392.263 2.862 20 0 GFADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)s1 ZINC000423391053 563360195 /nfs/dbraw/zinc/36/01/95/563360195.db2.gz PCSLNQVPVDXQCU-KOLCDFICSA-N 1 3 386.281 2.997 20 0 GFADHO FC(F)(F)[C@H](CN[C@@H]1CCc2ccc(Br)cc21)N1CC[NH2+]CC1 ZINC000423403293 563360422 /nfs/dbraw/zinc/36/04/22/563360422.db2.gz XIIDDSVSHPDGKN-CABCVRRESA-N 1 3 392.263 2.862 20 0 GFADHO O=C1CC[C@@H](N[C@H]2CCc3sc(Br)cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000333305320 563627154 /nfs/dbraw/zinc/62/71/54/563627154.db2.gz QTIWEFFXQNPSRT-AHIWAGSCSA-N 1 3 398.370 2.734 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000414713186 563751149 /nfs/dbraw/zinc/75/11/49/563751149.db2.gz TWYIGZZXWWEZNY-AWEZNQCLSA-N 1 3 380.330 2.615 20 0 GFADHO NCC(=O)N1CCC[C@@H](C[NH2+]CC2(c3cccc(Br)c3)CCC2)C1 ZINC000415084374 563758881 /nfs/dbraw/zinc/75/88/81/563758881.db2.gz RCIKYNUUDYOICU-HNNXBMFYSA-N 1 3 394.357 2.658 20 0 GFADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000367247367 563837790 /nfs/dbraw/zinc/83/77/90/563837790.db2.gz URGDHXJIPHCFJR-DQEVTTJGSA-N 1 3 397.357 2.962 20 0 GFADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000367247367 563837791 /nfs/dbraw/zinc/83/77/91/563837791.db2.gz URGDHXJIPHCFJR-DQEVTTJGSA-N 1 3 397.357 2.962 20 0 GFADHO CC[N@@H+]1CC[C@H](NC[C@H](CO)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000449680709 564195906 /nfs/dbraw/zinc/19/59/06/564195906.db2.gz KMZYWNODBHKQHV-DAYGRLMNSA-N 1 3 399.373 2.929 20 0 GFADHO CC[N@H+]1CC[C@H](NC[C@H](CO)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000449680709 564195910 /nfs/dbraw/zinc/19/59/10/564195910.db2.gz KMZYWNODBHKQHV-DAYGRLMNSA-N 1 3 399.373 2.929 20 0 GFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CCc3ccc(Br)cc32)CC1 ZINC000510693741 564344134 /nfs/dbraw/zinc/34/41/34/564344134.db2.gz CPCXMIPICRUAQK-SFHVURJKSA-N 1 3 394.357 2.969 20 0 GFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000482548062 564545978 /nfs/dbraw/zinc/54/59/78/564545978.db2.gz LXLYDVXFQHJWNH-TZMCWYRMSA-N 1 3 386.309 2.826 20 0 GFADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752939 564609446 /nfs/dbraw/zinc/60/94/46/564609446.db2.gz PAJUVOREHAHMHE-ZBFHGGJFSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752939 564609448 /nfs/dbraw/zinc/60/94/48/564609448.db2.gz PAJUVOREHAHMHE-ZBFHGGJFSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252867 564695233 /nfs/dbraw/zinc/69/52/33/564695233.db2.gz PUXPTCOIQJBNLU-HUUCEWRRSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252867 564695234 /nfs/dbraw/zinc/69/52/34/564695234.db2.gz PUXPTCOIQJBNLU-HUUCEWRRSA-N 1 3 391.339 2.824 20 0 GFADHO CN1CCN(CC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1(C)C ZINC000555586894 564798398 /nfs/dbraw/zinc/79/83/98/564798398.db2.gz JXWINBWPZCLZBI-INIZCTEOSA-N 1 3 380.374 2.922 20 0 GFADHO C[C@H](Cc1ccc(Br)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000536561560 565041037 /nfs/dbraw/zinc/04/10/37/565041037.db2.gz CYEJAXKNESCQJL-OAHLLOKOSA-N 1 3 384.362 2.580 20 0 GFADHO Cn1ncc(Br)c1CNCC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613943 565112572 /nfs/dbraw/zinc/11/25/72/565112572.db2.gz YBDNIYODFYJPRF-UHFFFAOYSA-N 1 3 378.318 2.579 20 0 GFADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000638635888 565206020 /nfs/dbraw/zinc/20/60/20/565206020.db2.gz WHDJXISZILUMJG-INIZCTEOSA-N 1 3 396.373 2.853 20 0 GFADHO C[C@H]1C[N@H+](CCCNC[C@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632304 565486340 /nfs/dbraw/zinc/48/63/40/565486340.db2.gz WIYPOGKDEVDGBV-GJZGRUSLSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632304 565486344 /nfs/dbraw/zinc/48/63/44/565486344.db2.gz WIYPOGKDEVDGBV-GJZGRUSLSA-N 1 3 391.339 2.824 20 0 GFADHO CC(C)(C[NH2+]C[C@H](O)COc1ccc(Br)cc1)CN1CCCC1 ZINC000644631943 565486717 /nfs/dbraw/zinc/48/67/17/565486717.db2.gz GSHWRVTXXMIUFS-INIZCTEOSA-N 1 3 385.346 2.900 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000623401040 565508202 /nfs/dbraw/zinc/50/82/02/565508202.db2.gz OZMQDWLQMWILJD-OAHLLOKOSA-N 1 3 387.615 2.784 20 0 GFADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623401040 565508206 /nfs/dbraw/zinc/50/82/06/565508206.db2.gz OZMQDWLQMWILJD-OAHLLOKOSA-N 1 3 387.615 2.784 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nc(-c2ccsc2)ns1 ZINC000666682042 565548086 /nfs/dbraw/zinc/54/80/86/565548086.db2.gz IDLDPRUCWSPOAG-LBPRGKRZSA-N 1 3 382.559 2.660 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nc(-c2ccsc2)ns1 ZINC000666682042 565548089 /nfs/dbraw/zinc/54/80/89/565548089.db2.gz IDLDPRUCWSPOAG-LBPRGKRZSA-N 1 3 382.559 2.660 20 0 GFADHO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H]1CNCCO1 ZINC000645746562 565558426 /nfs/dbraw/zinc/55/84/26/565558426.db2.gz VGITVNQDTDQTMI-OAHLLOKOSA-N 1 3 388.339 2.652 20 0 GFADHO C[N@H+](CCc1ccc(Br)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000647884145 565680706 /nfs/dbraw/zinc/68/07/06/565680706.db2.gz TULCVPYSCJTMAU-OALUTQOASA-N 1 3 377.326 2.854 20 0 GFADHO C[N@@H+](CCc1ccc(Br)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000647884145 565680712 /nfs/dbraw/zinc/68/07/12/565680712.db2.gz TULCVPYSCJTMAU-OALUTQOASA-N 1 3 377.326 2.854 20 0 GFADHO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629531842 565857721 /nfs/dbraw/zinc/85/77/21/565857721.db2.gz ABDXPUJOWGXKMP-JKIFEVAISA-N 1 3 378.314 2.634 20 0 GFADHO C[NH+](C)CCN1CCC(N[C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576073 660201226 /nfs/dbraw/zinc/20/12/26/660201226.db2.gz MVEHOQAZMXQXFP-OAHLLOKOSA-N 1 3 387.391 2.972 20 0 GFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000836278092 660897980 /nfs/dbraw/zinc/89/79/80/660897980.db2.gz IQRADXFOUQLJOL-QGZVFWFLSA-N 1 3 391.387 2.818 20 0 GFADHO C[C@@H](Cn1cc(Br)cn1)NCc1ccccc1OCC[NH+](C)C ZINC000122341933 654734772 /nfs/dbraw/zinc/73/47/72/654734772.db2.gz JWONHXXDSLJHTG-AWEZNQCLSA-N 1 3 381.318 2.764 20 0 GFADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1Br ZINC000127944479 654838097 /nfs/dbraw/zinc/83/80/97/654838097.db2.gz JNOOPSDXIIMSOR-HIFRSBDPSA-N 1 3 398.345 2.696 20 0 GFADHO C[C@H](CN1CCC(C(=O)NCC[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000092615845 655014888 /nfs/dbraw/zinc/01/48/88/655014888.db2.gz GWGIDTDRSUZLSQ-OAHLLOKOSA-N 1 3 396.373 2.942 20 0 GFADHO COCCC[NH+]1CCC(NC[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000575040379 655434558 /nfs/dbraw/zinc/43/45/58/655434558.db2.gz VVJLAIHYHVFOHO-INIZCTEOSA-N 1 3 391.339 2.824 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc(Br)sc1Cl ZINC000869238242 662637119 /nfs/dbraw/zinc/63/71/19/662637119.db2.gz YCCWNCFVEYBQIE-VIFPVBQESA-N 1 3 397.770 2.561 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc(Br)sc1Cl ZINC000869238242 662637120 /nfs/dbraw/zinc/63/71/20/662637120.db2.gz YCCWNCFVEYBQIE-VIFPVBQESA-N 1 3 397.770 2.561 20 0 GFADHO Cc1c(C[C@@H](CN)C[NH2+][C@H](C)Cc2ccc(F)c(Br)c2)cnn1C ZINC000903923476 663812095 /nfs/dbraw/zinc/81/20/95/663812095.db2.gz VEIIPDSJPRGGOV-DOMZBBRYSA-N 1 3 397.336 2.968 20 0 GFADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924662569 664659385 /nfs/dbraw/zinc/65/93/85/664659385.db2.gz RMTZTOHPIMILNB-KRWDZBQOSA-N 1 3 381.362 2.839 20 0 GFADHO CCC[NH+](CCC)CCCC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000359962263 212127444 /nfs/dbraw/zinc/12/74/44/212127444.db2.gz UOWYRWZLIMEDHN-UHFFFAOYSA-N 1 3 380.621 2.765 20 0 GFADHO Brc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(N2CCOCC2)c1 ZINC000188694656 552452624 /nfs/dbraw/zinc/45/26/24/552452624.db2.gz IDAQNIGCUAYOQC-HNNXBMFYSA-N 1 3 394.357 2.860 20 0 GFADHO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCCN2CCCC2)C1 ZINC000193474310 552994525 /nfs/dbraw/zinc/99/45/25/552994525.db2.gz MJKUXDQOEUTHCY-OAHLLOKOSA-N 1 3 395.345 2.981 20 0 GFADHO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CCCN2CCCC2)C1 ZINC000193474310 552994526 /nfs/dbraw/zinc/99/45/26/552994526.db2.gz MJKUXDQOEUTHCY-OAHLLOKOSA-N 1 3 395.345 2.981 20 0 GFADHO CC(C)C[C@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418450094 563217880 /nfs/dbraw/zinc/21/78/80/563217880.db2.gz UMRUIMFBZPRXOF-QGZVFWFLSA-N 1 3 399.377 2.896 20 0 GFADHO Brc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422700745 563348580 /nfs/dbraw/zinc/34/85/80/563348580.db2.gz ANABCTZMIQJLIO-JCHJZTRSSA-N 1 3 394.357 2.775 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422878851 563349967 /nfs/dbraw/zinc/34/99/67/563349967.db2.gz KVYXPDWEPVPGNK-WBAXXEDZSA-N 1 3 397.357 2.839 20 0 GFADHO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCNCC[C@@H]2C)c1 ZINC000422901427 563349997 /nfs/dbraw/zinc/34/99/97/563349997.db2.gz CACHJXGFDACSCF-GUYCJALGSA-N 1 3 398.345 2.555 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000422906807 563350898 /nfs/dbraw/zinc/35/08/98/563350898.db2.gz KKVSCRCJXXRDOW-YOEHRIQHSA-N 1 3 382.346 2.905 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422906807 563350899 /nfs/dbraw/zinc/35/08/99/563350899.db2.gz KKVSCRCJXXRDOW-YOEHRIQHSA-N 1 3 382.346 2.905 20 0 GFADHO Brc1cccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423089830 563354614 /nfs/dbraw/zinc/35/46/14/563354614.db2.gz TUKMAGDYFYRIEA-WZGPROSRSA-N 1 3 394.357 2.775 20 0 GFADHO FC(F)(F)[C@@H](CN[C@@H]1CCc2ccc(Br)cc21)N1CC[NH2+]CC1 ZINC000423403296 563360243 /nfs/dbraw/zinc/36/02/43/563360243.db2.gz XIIDDSVSHPDGKN-HUUCEWRRSA-N 1 3 392.263 2.862 20 0 GFADHO C[C@@H](NC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000431016254 563551687 /nfs/dbraw/zinc/55/16/87/563551687.db2.gz ZGESLCMUPKXPHW-CQSZACIVSA-N 1 3 380.330 2.702 20 0 GFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414282555 563724639 /nfs/dbraw/zinc/72/46/39/563724639.db2.gz HQOQEQMQSGYJIH-GASCZTMLSA-N 1 3 387.977 2.835 20 0 GFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414282555 563724641 /nfs/dbraw/zinc/72/46/41/563724641.db2.gz HQOQEQMQSGYJIH-GASCZTMLSA-N 1 3 387.977 2.835 20 0 GFADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000414695418 563750319 /nfs/dbraw/zinc/75/03/19/563750319.db2.gz AOFNMNTWZFYMAR-CQSZACIVSA-N 1 3 380.330 2.615 20 0 GFADHO CCOC(=O)COc1c(Br)cc(C)cc1CNCC[C@H]1CC[NH2+]C1 ZINC000414827232 563753990 /nfs/dbraw/zinc/75/39/90/563753990.db2.gz GYMKFRFGLITTAX-CQSZACIVSA-N 1 3 399.329 2.789 20 0 GFADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000367247370 563838051 /nfs/dbraw/zinc/83/80/51/563838051.db2.gz URGDHXJIPHCFJR-ZWQIFLOQSA-N 1 3 397.357 2.962 20 0 GFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000367247370 563838054 /nfs/dbraw/zinc/83/80/54/563838054.db2.gz URGDHXJIPHCFJR-ZWQIFLOQSA-N 1 3 397.357 2.962 20 0 GFADHO C[NH+](C)[C@]1(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCSC1 ZINC000481232507 564506843 /nfs/dbraw/zinc/50/68/43/564506843.db2.gz NTPKZQJBNBTTOS-YJBOKZPZSA-N 1 3 382.599 2.622 20 0 GFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000482889963 564552404 /nfs/dbraw/zinc/55/24/04/564552404.db2.gz MQECNKODDWSXOW-SFHVURJKSA-N 1 3 394.357 2.969 20 0 GFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3ccc(Br)cc3F)C[C@H]21 ZINC000573685259 564650052 /nfs/dbraw/zinc/65/00/52/564650052.db2.gz ZMPGTZFLJDPEAG-UXIGCNINSA-N 1 3 384.293 2.976 20 0 GFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685730 564756892 /nfs/dbraw/zinc/75/68/92/564756892.db2.gz BEYLLRRBRKRASV-BMGDILEWSA-N 1 3 385.321 2.956 20 0 GFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685730 564756894 /nfs/dbraw/zinc/75/68/94/564756894.db2.gz BEYLLRRBRKRASV-BMGDILEWSA-N 1 3 385.321 2.956 20 0 GFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000556076279 564812243 /nfs/dbraw/zinc/81/22/43/564812243.db2.gz LWZQTFAFDWHKHQ-WCQYABFASA-N 1 3 386.359 2.675 20 0 GFADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494008217 564815601 /nfs/dbraw/zinc/81/56/01/564815601.db2.gz VJLQEEFSJNNKMR-ZDUSSCGKSA-N 1 3 388.737 2.780 20 0 GFADHO C[C@H](Cc1ccc(Br)cc1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000556889685 564844681 /nfs/dbraw/zinc/84/46/81/564844681.db2.gz PSFKGAZCPOXYTJ-MRXNPFEDSA-N 1 3 396.373 2.962 20 0 GFADHO CN1CCC(O)(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000638682104 565206990 /nfs/dbraw/zinc/20/69/90/565206990.db2.gz QKYGCMOGZQCURH-QZTJIDSGSA-N 1 3 396.373 2.631 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1c(Cl)cccc1Cl ZINC000617503362 565242238 /nfs/dbraw/zinc/24/22/38/565242238.db2.gz GCZCGEXXXBRZEH-ZDUSSCGKSA-N 1 3 376.328 2.760 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1c(Cl)cccc1Cl ZINC000617503362 565242242 /nfs/dbraw/zinc/24/22/42/565242242.db2.gz GCZCGEXXXBRZEH-ZDUSSCGKSA-N 1 3 376.328 2.760 20 0 GFADHO Cc1sc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Br ZINC000617502471 565242531 /nfs/dbraw/zinc/24/25/31/565242531.db2.gz QELAEZDWIFCARP-NSHDSACASA-N 1 3 376.364 2.821 20 0 GFADHO Cc1sc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Br ZINC000617502471 565242534 /nfs/dbraw/zinc/24/25/34/565242534.db2.gz QELAEZDWIFCARP-NSHDSACASA-N 1 3 376.364 2.821 20 0 GFADHO C[C@@H]1[C@H](C(=O)Nc2cc(Br)ccc2N(C)CCN(C)C)CC[N@@H+]1C ZINC000648934777 565740598 /nfs/dbraw/zinc/74/05/98/565740598.db2.gz MELLRMYTOSBICM-UKRRQHHQSA-N 1 3 397.361 2.726 20 0 GFADHO C[C@@H]1[C@H](C(=O)Nc2cc(Br)ccc2N(C)CCN(C)C)CC[N@H+]1C ZINC000648934777 565740600 /nfs/dbraw/zinc/74/06/00/565740600.db2.gz MELLRMYTOSBICM-UKRRQHHQSA-N 1 3 397.361 2.726 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652242891 565919211 /nfs/dbraw/zinc/91/92/11/565919211.db2.gz SEKJJPYKEDDDDZ-UHFFFAOYSA-N 1 3 397.361 2.651 20 0 GFADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(I)cc1 ZINC000610821861 566100895 /nfs/dbraw/zinc/10/08/95/566100895.db2.gz XUGYOXDIAMQGRI-HNNXBMFYSA-N 1 3 388.293 2.789 20 0 GFADHO COc1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1-c1nnn[n-]1 ZINC000826202041 608286838 /nfs/dbraw/zinc/28/68/38/608286838.db2.gz MOFLTEJHSQJGMZ-OAHLLOKOSA-N 1 3 396.495 2.667 20 0 GFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1Br ZINC000819175488 660248698 /nfs/dbraw/zinc/24/86/98/660248698.db2.gz YNKIBJGLAHCTSQ-GBESFXJTSA-N 1 3 397.357 2.840 20 0 GFADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000579834967 655504533 /nfs/dbraw/zinc/50/45/33/655504533.db2.gz MYSXTGFXVUWQBB-IIDMSEBBSA-N 1 3 392.341 2.876 20 0 GFADHO Cn1nc(Br)cc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000785417148 657362861 /nfs/dbraw/zinc/36/28/61/657362861.db2.gz BYMSXNJVICSSHG-UHFFFAOYSA-N 1 3 377.330 2.979 20 0 GFADHO C[NH+](C)[C@H](CNC(=O)[C@H](N)c1cccc(Br)c1)c1ccsc1 ZINC000870863669 662703792 /nfs/dbraw/zinc/70/37/92/662703792.db2.gz UJZNUSSXPCUFOQ-HUUCEWRRSA-N 1 3 382.327 2.930 20 0 GFADHO C[C@H](N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC000873270858 662804760 /nfs/dbraw/zinc/80/47/60/662804760.db2.gz BQBOXNWMCYWWCJ-XHDPSFHLSA-N 1 3 387.343 2.645 20 0 GFADHO C[NH+]1CCC(NC(=O)CN2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000878651169 662901821 /nfs/dbraw/zinc/90/18/21/662901821.db2.gz VVKGKXTWOZXPLK-INIZCTEOSA-N 1 3 394.357 2.524 20 0 GFADHO C[C@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000893354365 663408183 /nfs/dbraw/zinc/40/81/83/663408183.db2.gz JUOUHVWDKYZLFP-MJGOQNOKSA-N 1 3 394.357 2.775 20 0 GFADHO O=C1O[C@@H](CN[C@H]2CCc3c2cc(Br)cc3F)CC12CC[NH2+]CC2 ZINC000925851532 664675969 /nfs/dbraw/zinc/67/59/69/664675969.db2.gz FYNNAZGGBCFNTO-WBMJQRKESA-N 1 3 397.288 2.850 20 0 GFADHO COc1ccc([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Br ZINC000925853700 664676104 /nfs/dbraw/zinc/67/61/04/664676104.db2.gz KOTQVCLOLSYVSK-JSGCOSHPSA-N 1 3 397.313 2.794 20 0 GFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1cccc(Br)n1)C2 ZINC000926878683 664698523 /nfs/dbraw/zinc/69/85/23/664698523.db2.gz HQLWWEOUARCSOY-OZNHZTKRSA-N 1 3 382.346 2.974 20 0 GFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1cccc(Br)n1)C2 ZINC000926878683 664698526 /nfs/dbraw/zinc/69/85/26/664698526.db2.gz HQLWWEOUARCSOY-OZNHZTKRSA-N 1 3 382.346 2.974 20 0 GFADHO Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165018727 721802823 /nfs/dbraw/zinc/80/28/23/721802823.db2.gz CEPKNSYIUBOJLK-YSIASYRMSA-N 1 3 380.540 2.983 20 0 GFADHO Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165018727 721802824 /nfs/dbraw/zinc/80/28/24/721802824.db2.gz CEPKNSYIUBOJLK-YSIASYRMSA-N 1 3 380.540 2.983 20 0 GFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cncc(Br)c1 ZINC000126877082 551333780 /nfs/dbraw/zinc/33/37/80/551333780.db2.gz UTIKQLMVPMPSMI-INIZCTEOSA-N 1 3 398.349 2.724 20 0 GFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cncc(Br)c1 ZINC000126877082 551333782 /nfs/dbraw/zinc/33/37/82/551333782.db2.gz UTIKQLMVPMPSMI-INIZCTEOSA-N 1 3 398.349 2.724 20 0 GFADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccccc1Br ZINC000168961928 551634887 /nfs/dbraw/zinc/63/48/87/551634887.db2.gz ZXWVWZMSFMRLDA-IBGZPJMESA-N 1 3 398.389 2.880 20 0 GFADHO C[C@H]([NH3+])CCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000277551734 563212760 /nfs/dbraw/zinc/21/27/60/563212760.db2.gz YUYHRWZTCJAPEG-AWEZNQCLSA-N 1 3 398.345 2.536 20 0 GFADHO C[NH2+]CCCNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000418282182 563215324 /nfs/dbraw/zinc/21/53/24/563215324.db2.gz XCNAGLGIFSSWHZ-UHFFFAOYSA-N 1 3 397.361 2.664 20 0 GFADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418584582 563220781 /nfs/dbraw/zinc/22/07/81/563220781.db2.gz CFRIFFVPGKOHPI-YOEHRIQHSA-N 1 3 397.361 2.520 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422945705 563351544 /nfs/dbraw/zinc/35/15/44/563351544.db2.gz NNFNHSVJEMFGDD-IHETXDGRSA-N 1 3 382.346 2.617 20 0 GFADHO O=S(=O)(NCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423096396 563355528 /nfs/dbraw/zinc/35/55/28/563355528.db2.gz HQZIVWKBOPIACX-DJIMGWMZSA-N 1 3 385.961 2.519 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423151481 563357115 /nfs/dbraw/zinc/35/71/15/563357115.db2.gz DIPPVJFHZKFCGF-IAOVAPTHSA-N 1 3 385.346 2.858 20 0 GFADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc(Br)cc1Br ZINC000423200207 563358699 /nfs/dbraw/zinc/35/86/99/563358699.db2.gz DWEBPRUZDRFJLC-LLVKDONJSA-N 1 3 391.151 2.767 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000414676054 563750025 /nfs/dbraw/zinc/75/00/25/563750025.db2.gz HCZFKPBIFZINBX-LIRRHRJNSA-N 1 3 375.563 2.954 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000414676054 563750028 /nfs/dbraw/zinc/75/00/28/563750028.db2.gz HCZFKPBIFZINBX-LIRRHRJNSA-N 1 3 375.563 2.954 20 0 GFADHO Brc1ccc(-c2ncc(CNCCN3CC[NH2+]CC3)s2)cc1 ZINC000414869561 563753775 /nfs/dbraw/zinc/75/37/75/563753775.db2.gz RGJUKIFZMVHQNN-UHFFFAOYSA-N 1 3 381.343 2.567 20 0 GFADHO COc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc(I)c1OC ZINC000414929430 563754491 /nfs/dbraw/zinc/75/44/91/563754491.db2.gz RJBQGJMFHBSTDM-VXGBXAGGSA-N 1 3 390.265 2.668 20 0 GFADHO OC1CC[NH+](CCCNCc2ccnc3c(Br)cccc23)CC1 ZINC000449095423 563906451 /nfs/dbraw/zinc/90/64/51/563906451.db2.gz YJJNFIOAIMYYGY-UHFFFAOYSA-N 1 3 378.314 2.934 20 0 GFADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(I)cc1 ZINC000449227301 563908293 /nfs/dbraw/zinc/90/82/93/563908293.db2.gz ZYXWLDZVJRITOR-HNNXBMFYSA-N 1 3 376.282 2.738 20 0 GFADHO CC[N@@H+]1CC[C@H](NC[C@@H](CO)Cc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000449680712 564195363 /nfs/dbraw/zinc/19/53/63/564195363.db2.gz KMZYWNODBHKQHV-VKJFTORMSA-N 1 3 399.373 2.929 20 0 GFADHO CC[N@H+]1CC[C@H](NC[C@@H](CO)Cc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000449680712 564195369 /nfs/dbraw/zinc/19/53/69/564195369.db2.gz KMZYWNODBHKQHV-VKJFTORMSA-N 1 3 399.373 2.929 20 0 GFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683851 564195634 /nfs/dbraw/zinc/19/56/34/564195634.db2.gz OCSNFWJKCYRKCQ-ARFHVFGLSA-N 1 3 385.321 2.956 20 0 GFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683851 564195637 /nfs/dbraw/zinc/19/56/37/564195637.db2.gz OCSNFWJKCYRKCQ-ARFHVFGLSA-N 1 3 385.321 2.956 20 0 GFADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000564826286 564250812 /nfs/dbraw/zinc/25/08/12/564250812.db2.gz KIGXXXRHNVLROT-GVDBMIGSSA-N 1 3 380.330 2.689 20 0 GFADHO [NH3+]C[C@@H]1CN(CCOc2cc(F)cc(Br)c2)CC12CCOCC2 ZINC000566245534 564319551 /nfs/dbraw/zinc/31/95/51/564319551.db2.gz UCPKVBGTHYTNLJ-CYBMUJFWSA-N 1 3 387.293 2.654 20 0 GFADHO C[NH+](C)CC1CCC(NCc2ncc(I)s2)CC1 ZINC000512046124 564390793 /nfs/dbraw/zinc/39/07/93/564390793.db2.gz QODCCEKTYBEJSP-UHFFFAOYSA-N 1 3 379.311 2.958 20 0 GFADHO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000571681750 564561738 /nfs/dbraw/zinc/56/17/38/564561738.db2.gz DDRJEKGUGZZOJI-UAGQMJEPSA-N 1 3 394.357 2.948 20 0 GFADHO C[C@H](NCCn1cc(Br)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000552335378 564686604 /nfs/dbraw/zinc/68/66/04/564686604.db2.gz PVDZSIQDLWXLPY-AWEZNQCLSA-N 1 3 381.318 2.937 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000525819052 564709003 /nfs/dbraw/zinc/70/90/03/564709003.db2.gz LGOVKMCIFUZQSU-AWEZNQCLSA-N 1 3 389.327 2.562 20 0 GFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685732 564756461 /nfs/dbraw/zinc/75/64/61/564756461.db2.gz BEYLLRRBRKRASV-JCGIZDLHSA-N 1 3 385.321 2.956 20 0 GFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685732 564756465 /nfs/dbraw/zinc/75/64/65/564756465.db2.gz BEYLLRRBRKRASV-JCGIZDLHSA-N 1 3 385.321 2.956 20 0 GFADHO C[C@@H](NCCn1cc(Br)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000556922199 564847139 /nfs/dbraw/zinc/84/71/39/564847139.db2.gz UPKBOSHEISKWRT-CQSZACIVSA-N 1 3 381.318 2.937 20 0 GFADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000582839730 564864456 /nfs/dbraw/zinc/86/44/56/564864456.db2.gz JCCZHAPRWHWIMD-GVDBMIGSSA-N 1 3 380.330 2.689 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000531357968 564907276 /nfs/dbraw/zinc/90/72/76/564907276.db2.gz XKAKFZUQAHMMCX-DLBZAZTESA-N 1 3 382.346 2.504 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1([NH3+])CCCC1 ZINC000659570938 565219951 /nfs/dbraw/zinc/21/99/51/565219951.db2.gz NKPIQKDIGHDIOO-UHFFFAOYSA-N 1 3 397.361 2.794 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000667157947 565573375 /nfs/dbraw/zinc/57/33/75/565573375.db2.gz MIQMNBXSIWBSBH-NSHDSACASA-N 1 3 381.468 2.641 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000667157947 565573378 /nfs/dbraw/zinc/57/33/78/565573378.db2.gz MIQMNBXSIWBSBH-NSHDSACASA-N 1 3 381.468 2.641 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(Br)c1F ZINC000667917079 565612807 /nfs/dbraw/zinc/61/28/07/565612807.db2.gz XGMGGFUQDIQSFQ-LBPRGKRZSA-N 1 3 389.313 2.982 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(Br)c1F ZINC000667917079 565612810 /nfs/dbraw/zinc/61/28/10/565612810.db2.gz XGMGGFUQDIQSFQ-LBPRGKRZSA-N 1 3 389.313 2.982 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(Br)c1F ZINC000667921167 565613600 /nfs/dbraw/zinc/61/36/00/565613600.db2.gz XXWBQJKITJLOEW-UHFFFAOYSA-N 1 3 375.286 2.545 20 0 GFADHO CN(C)C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000670133249 565715989 /nfs/dbraw/zinc/71/59/89/565715989.db2.gz CHOUTHXTQVJRID-FUHWJXTLSA-N 1 3 384.977 2.679 20 0 GFADHO CN(C)C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000627219865 565726915 /nfs/dbraw/zinc/72/69/15/565726915.db2.gz FEISHSTYBHCUDD-RBSFLKMASA-N 1 3 377.291 2.677 20 0 GFADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3ccccc3Br)CCC2)C1 ZINC000650704353 565832856 /nfs/dbraw/zinc/83/28/56/565832856.db2.gz VDFLNUKXAJYFSD-CQSZACIVSA-N 1 3 380.330 2.615 20 0 GFADHO CN1CCC(CNCc2ccncc2Br)([NH+]2CCCCC2)CC1 ZINC000631078389 565937783 /nfs/dbraw/zinc/93/77/83/565937783.db2.gz BBBQTLSYFTURLJ-UHFFFAOYSA-N 1 3 381.362 2.884 20 0 GFADHO C[NH+]1CCC(CNCc2ccncc2Br)(N2CCCCC2)CC1 ZINC000631078389 565937789 /nfs/dbraw/zinc/93/77/89/565937789.db2.gz BBBQTLSYFTURLJ-UHFFFAOYSA-N 1 3 381.362 2.884 20 0 GFADHO CC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(I)cc1 ZINC000610803919 566099781 /nfs/dbraw/zinc/09/97/81/566099781.db2.gz DWFXZQNDJVLDSP-JKSUJKDBSA-N 1 3 388.293 2.789 20 0 GFADHO Cc1c(Br)nccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000823565108 660374946 /nfs/dbraw/zinc/37/49/46/660374946.db2.gz LVZMUPVAVTVGEB-LBPRGKRZSA-N 1 3 386.338 2.546 20 0 GFADHO Cc1c(Br)nccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000823565108 660374947 /nfs/dbraw/zinc/37/49/47/660374947.db2.gz LVZMUPVAVTVGEB-LBPRGKRZSA-N 1 3 386.338 2.546 20 0 GFADHO C[C@H](Cn1cc(Br)cn1)NCc1ccccc1OCC[NH+](C)C ZINC000122342134 654734672 /nfs/dbraw/zinc/73/46/72/654734672.db2.gz JWONHXXDSLJHTG-CQSZACIVSA-N 1 3 381.318 2.764 20 0 GFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cncc(Br)c3)CC2)CC1 ZINC000576528395 655448618 /nfs/dbraw/zinc/44/86/18/655448618.db2.gz IVNHLUHOHZRDSF-UHFFFAOYSA-N 1 3 395.345 2.979 20 0 GFADHO C[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ncc1F ZINC000762743359 656057573 /nfs/dbraw/zinc/05/75/73/656057573.db2.gz BANKDGAUIMQWNH-OLZOCXBDSA-N 1 3 385.325 2.802 20 0 GFADHO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCCCN1CC[NH2+]CC1 ZINC000841029386 661229000 /nfs/dbraw/zinc/22/90/00/661229000.db2.gz NZIGXBDKQNZDRJ-UHFFFAOYSA-N 1 3 382.339 2.872 20 0 GFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000857384699 662078410 /nfs/dbraw/zinc/07/84/10/662078410.db2.gz WRDNMAUCBCFFBB-OAHLLOKOSA-N 1 3 376.372 2.883 20 0 GFADHO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000873274416 662804777 /nfs/dbraw/zinc/80/47/77/662804777.db2.gz DDHLHDOMUNVUFI-ZUQJMZMUSA-N 1 3 377.326 2.834 20 0 GFADHO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182958712 552297398 /nfs/dbraw/zinc/29/73/98/552297398.db2.gz ATGRVIVEZINVOJ-CQSZACIVSA-N 1 3 387.355 2.890 20 0 GFADHO Brc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(N2CCOCC2)c1 ZINC000188694682 552452718 /nfs/dbraw/zinc/45/27/18/552452718.db2.gz IDAQNIGCUAYOQC-OAHLLOKOSA-N 1 3 394.357 2.860 20 0 GFADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Br)c1 ZINC000423394870 563360573 /nfs/dbraw/zinc/36/05/73/563360573.db2.gz SHDQXOOKTYWLLK-RISCZKNCSA-N 1 3 380.252 2.936 20 0 GFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NC1CCC([NH3+])CC1 ZINC000418391329 563216584 /nfs/dbraw/zinc/21/65/84/563216584.db2.gz USGOTMBHWXUQNM-UHFFFAOYSA-N 1 3 397.361 2.792 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422878849 563350022 /nfs/dbraw/zinc/35/00/22/563350022.db2.gz KVYXPDWEPVPGNK-JCGIZDLHSA-N 1 3 397.357 2.839 20 0 GFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896352 563350195 /nfs/dbraw/zinc/35/01/95/563350195.db2.gz XVKVQJJLPNZXCF-ZOCIIQOWSA-N 1 3 396.373 2.755 20 0 GFADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000423096227 563355419 /nfs/dbraw/zinc/35/54/19/563355419.db2.gz OEAZBLBHGUFHID-BRWVUGGUSA-N 1 3 399.320 2.725 20 0 GFADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)cs1 ZINC000423372822 563360408 /nfs/dbraw/zinc/36/04/08/563360408.db2.gz BJTVNRGDVFWXMB-SKDRFNHKSA-N 1 3 386.281 2.997 20 0 GFADHO O=S1(=O)CC[C@H](NCCC[C@@H]2CCC[NH2+]2)c2cc(Br)ccc21 ZINC000423484008 563361212 /nfs/dbraw/zinc/36/12/12/563361212.db2.gz QPTYBJXDBJRNJN-ZFWWWQNUSA-N 1 3 387.343 2.789 20 0 GFADHO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414670644 563749104 /nfs/dbraw/zinc/74/91/04/563749104.db2.gz DKWDPTSVONVENP-MRXNPFEDSA-N 1 3 382.346 2.857 20 0 GFADHO CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414670644 563749107 /nfs/dbraw/zinc/74/91/07/563749107.db2.gz DKWDPTSVONVENP-MRXNPFEDSA-N 1 3 382.346 2.857 20 0 GFADHO CC[C@@H](Cc1ccccc1Br)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414743971 563752154 /nfs/dbraw/zinc/75/21/54/563752154.db2.gz NUNAJORTWBHELR-RDJZCZTQSA-N 1 3 396.373 2.899 20 0 GFADHO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414743971 563752157 /nfs/dbraw/zinc/75/21/57/563752157.db2.gz NUNAJORTWBHELR-RDJZCZTQSA-N 1 3 396.373 2.899 20 0 GFADHO CC(=O)NCCN(Cc1ccc(Br)s1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414769832 563752597 /nfs/dbraw/zinc/75/25/97/563752597.db2.gz XJDZIZCJNWCWLZ-TZMCWYRMSA-N 1 3 388.375 2.837 20 0 GFADHO Cc1nc(-c2ccc(CC[NH2+]C[C@H]3CCCN(C(=O)CN)C3)s2)cs1 ZINC000415088025 563759028 /nfs/dbraw/zinc/75/90/28/563759028.db2.gz LMFIQIISQDTIIT-CQSZACIVSA-N 1 3 378.567 2.509 20 0 GFADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000564798515 564250024 /nfs/dbraw/zinc/25/00/24/564250024.db2.gz YXKIWUKBXVCEGE-ZIAGYGMSSA-N 1 3 385.350 2.648 20 0 GFADHO CC(C)(C[NH2+]C[C@H](O)COc1cccc(Br)c1)CN1CCCC1 ZINC000567582666 564378947 /nfs/dbraw/zinc/37/89/47/564378947.db2.gz UQJKVLHQDFEXAF-INIZCTEOSA-N 1 3 385.346 2.900 20 0 GFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000567639971 564381722 /nfs/dbraw/zinc/38/17/22/564381722.db2.gz QVPLKVISXTZQOZ-ZACQAIPSSA-N 1 3 385.599 2.659 20 0 GFADHO COc1c(Br)cccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000568565166 564423983 /nfs/dbraw/zinc/42/39/83/564423983.db2.gz QKUIARABLJHPAT-UHFFFAOYSA-N 1 3 384.362 2.916 20 0 GFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)c(I)c1 ZINC000453119909 564447240 /nfs/dbraw/zinc/44/72/40/564447240.db2.gz JQAZCFBYLCSBHK-NSHDSACASA-N 1 3 392.256 2.538 20 0 GFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000486066109 564637594 /nfs/dbraw/zinc/63/75/94/564637594.db2.gz UMRSVJGTJKPCCO-PBHICJAKSA-N 1 3 382.346 2.537 20 0 GFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000486066109 564637600 /nfs/dbraw/zinc/63/76/00/564637600.db2.gz UMRSVJGTJKPCCO-PBHICJAKSA-N 1 3 382.346 2.537 20 0 GFADHO C[C@@H](NCCn1cc(Br)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000552335379 564686470 /nfs/dbraw/zinc/68/64/70/564686470.db2.gz PVDZSIQDLWXLPY-CQSZACIVSA-N 1 3 381.318 2.937 20 0 GFADHO CSc1ccc(CN[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)s1 ZINC000562071588 565016899 /nfs/dbraw/zinc/01/68/99/565016899.db2.gz GXWSYKCISWMRFS-KRWDZBQOSA-N 1 3 377.579 2.849 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000617504059 565242858 /nfs/dbraw/zinc/24/28/58/565242858.db2.gz GMSZSRCHIDTONW-ZDUSSCGKSA-N 1 3 395.345 2.932 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000617504059 565242860 /nfs/dbraw/zinc/24/28/60/565242860.db2.gz GMSZSRCHIDTONW-ZDUSSCGKSA-N 1 3 395.345 2.932 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000617507701 565244520 /nfs/dbraw/zinc/24/45/20/565244520.db2.gz GJDDTMVDMSVOBY-AWEZNQCLSA-N 1 3 399.377 2.517 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000617507701 565244523 /nfs/dbraw/zinc/24/45/23/565244523.db2.gz GJDDTMVDMSVOBY-AWEZNQCLSA-N 1 3 399.377 2.517 20 0 GFADHO CN(C)CCOc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1Cl ZINC000662695292 565382462 /nfs/dbraw/zinc/38/24/62/565382462.db2.gz YUJIFCJYVNLFQP-OAHLLOKOSA-N 1 3 379.810 2.761 20 0 GFADHO O=S1(=O)CC[C@@H](NCC[C@H]2CCC[NH2+]C2)c2cc(Br)ccc21 ZINC000643510614 565434428 /nfs/dbraw/zinc/43/44/28/565434428.db2.gz ZDDIILWJYQHBJD-IUODEOHRSA-N 1 3 387.343 2.647 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(Br)c1F ZINC000668041175 565623414 /nfs/dbraw/zinc/62/34/14/565623414.db2.gz MOKVSKRHXKOOEY-UHFFFAOYSA-N 1 3 393.276 2.684 20 0 GFADHO CN(C)CCOc1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000673620153 565842753 /nfs/dbraw/zinc/84/27/53/565842753.db2.gz ILPHQEOZSQNAQY-UHFFFAOYSA-N 1 3 381.318 2.766 20 0 GFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Br)c1F ZINC000683479450 566202259 /nfs/dbraw/zinc/20/22/59/566202259.db2.gz FMEVVLVDYSRSFF-UHFFFAOYSA-N 1 3 394.716 2.807 20 0 GFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269054723 654996387 /nfs/dbraw/zinc/99/63/87/654996387.db2.gz IXAHQNAOIJNYNX-ZFWWWQNUSA-N 1 3 378.485 2.690 20 0 GFADHO [NH3+]CCCCCCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000843340838 661378476 /nfs/dbraw/zinc/37/84/76/661378476.db2.gz FSZRVMOFUKGLOY-CQSZACIVSA-N 1 3 375.332 2.776 20 0 GFADHO c1csc([C@H]2CCN(CCOCC[N@@H+]3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319218 662957762 /nfs/dbraw/zinc/95/77/62/662957762.db2.gz CZVYHLNBGNNMOO-HOTGVXAUSA-N 1 3 378.567 2.895 20 0 GFADHO c1csc([C@H]2CCN(CCOCC[N@H+]3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319218 662957764 /nfs/dbraw/zinc/95/77/64/662957764.db2.gz CZVYHLNBGNNMOO-HOTGVXAUSA-N 1 3 378.567 2.895 20 0 GFADHO C[NH+](C)[C@H](CNC(=O)[C@@H](N)c1ccc(Br)cc1)c1ccsc1 ZINC000884188282 663066720 /nfs/dbraw/zinc/06/67/20/663066720.db2.gz CSXWWYKWNIUTEO-CABCVRRESA-N 1 3 382.327 2.930 20 0 GFADHO Cc1c(C[C@H](CN)C[NH2+]CC2(c3ccccc3Br)CC2)cnn1C ZINC000903922969 663811696 /nfs/dbraw/zinc/81/16/96/663811696.db2.gz IMIOKCRUVCJWCK-OAHLLOKOSA-N 1 3 391.357 2.930 20 0 GFADHO [NH3+]C[C@@H](NC[C@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000923371655 664629140 /nfs/dbraw/zinc/62/91/40/664629140.db2.gz CXBKMMZEDOJSSY-DOTOQJQBSA-N 1 3 389.309 2.825 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925565929 664673113 /nfs/dbraw/zinc/67/31/13/664673113.db2.gz BFEYZJFYTOEOGG-CVEARBPZSA-N 1 3 380.330 2.657 20 0 GFADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)c(F)c1 ZINC000925855646 664676166 /nfs/dbraw/zinc/67/61/66/664676166.db2.gz LLEIOYAPPCDFRJ-WCQYABFASA-N 1 3 385.277 2.924 20 0 GFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164817511 720180093 /nfs/dbraw/zinc/18/00/93/720180093.db2.gz PQOQBJAGGSKSDO-NFBKMPQASA-N 1 3 384.568 2.861 20 0 GFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164817511 720180097 /nfs/dbraw/zinc/18/00/97/720180097.db2.gz PQOQBJAGGSKSDO-NFBKMPQASA-N 1 3 384.568 2.861 20 0 GFADHO Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165018726 721802679 /nfs/dbraw/zinc/80/26/79/721802679.db2.gz CEPKNSYIUBOJLK-SXLOBPIMSA-N 1 3 380.540 2.983 20 0 GFADHO Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165018726 721802681 /nfs/dbraw/zinc/80/26/81/721802681.db2.gz CEPKNSYIUBOJLK-SXLOBPIMSA-N 1 3 380.540 2.983 20 0 GFADHO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1-c1ccc(Br)cc1 ZINC000237860353 553083635 /nfs/dbraw/zinc/08/36/35/553083635.db2.gz ZVYHPJARAGOFSG-YIONKMFJSA-N 1 3 389.297 2.956 20 0 GFADHO COc1cc(/C=C/C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Br)c1O ZINC000248408531 553129571 /nfs/dbraw/zinc/12/95/71/553129571.db2.gz VPCWSPGSUBZKAP-IVDJAJHCSA-N 1 3 395.297 2.872 20 0 GFADHO COc1cc(/C=C/C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Br)c1O ZINC000248408531 553129573 /nfs/dbraw/zinc/12/95/73/553129573.db2.gz VPCWSPGSUBZKAP-IVDJAJHCSA-N 1 3 395.297 2.872 20 0 GFADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)COc1ccccc1Br ZINC000422937669 563351730 /nfs/dbraw/zinc/35/17/30/563351730.db2.gz JSHMEXKQXDUYGV-MUIFIZLQSA-N 1 3 383.330 2.699 20 0 GFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423012346 563353340 /nfs/dbraw/zinc/35/33/40/563353340.db2.gz KJZGCEZSLJGAMT-SUHUHFCYSA-N 1 3 381.826 2.865 20 0 GFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423012346 563353342 /nfs/dbraw/zinc/35/33/42/563353342.db2.gz KJZGCEZSLJGAMT-SUHUHFCYSA-N 1 3 381.826 2.865 20 0 GFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000423109832 563355226 /nfs/dbraw/zinc/35/52/26/563355226.db2.gz VCSIMVOAHQOJLV-HZPDHXFCSA-N 1 3 387.977 2.909 20 0 GFADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423162030 563357751 /nfs/dbraw/zinc/35/77/51/563357751.db2.gz OTWKHEZYKFDSKJ-VBQJREDUSA-N 1 3 385.346 2.716 20 0 GFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)cc1F ZINC000423448219 563361059 /nfs/dbraw/zinc/36/10/59/563361059.db2.gz DWKWMXZZPGOWFA-LSKLOWJMSA-N 1 3 398.320 2.886 20 0 GFADHO C[C@@H](CCCC[NH3+])N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423445472 563361223 /nfs/dbraw/zinc/36/12/23/563361223.db2.gz XWJZEMBIESYJGS-FZMZJTMJSA-N 1 3 375.332 2.775 20 0 GFADHO CN1CCN(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1(C)C ZINC000282255830 563403905 /nfs/dbraw/zinc/40/39/05/563403905.db2.gz GVVJISXESCHSOO-UHFFFAOYSA-N 1 3 394.357 2.841 20 0 GFADHO CN1CCC[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)[C@@H]1c1cccc(Cl)c1 ZINC000376694173 563450726 /nfs/dbraw/zinc/45/07/26/563450726.db2.gz FJHYBRKQSYULOE-AYBZRNKSSA-N 1 3 381.973 2.934 20 0 GFADHO C[C@H](Cn1cc(Br)ccc1=O)NCc1cccc(C[NH+](C)C)c1 ZINC000414065346 563717159 /nfs/dbraw/zinc/71/71/59/563717159.db2.gz OGSGSNYBQUQQMJ-CQSZACIVSA-N 1 3 378.314 2.851 20 0 GFADHO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414670025 563748993 /nfs/dbraw/zinc/74/89/93/563748993.db2.gz CNDITHTURLUVMB-INIZCTEOSA-N 1 3 382.346 2.857 20 0 GFADHO CC(C)[N@H+](Cc1cccc(Br)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414670025 563748994 /nfs/dbraw/zinc/74/89/94/563748994.db2.gz CNDITHTURLUVMB-INIZCTEOSA-N 1 3 382.346 2.857 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741674 563752059 /nfs/dbraw/zinc/75/20/59/563752059.db2.gz FMEVWRSVOYKDEA-HIFRSBDPSA-N 1 3 386.323 2.644 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741674 563752062 /nfs/dbraw/zinc/75/20/62/563752062.db2.gz FMEVWRSVOYKDEA-HIFRSBDPSA-N 1 3 386.323 2.644 20 0 GFADHO CC(=O)NCCN(Cc1ccc(Br)s1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414769830 563752970 /nfs/dbraw/zinc/75/29/70/563752970.db2.gz XJDZIZCJNWCWLZ-OCCSQVGLSA-N 1 3 388.375 2.837 20 0 GFADHO Cc1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Br ZINC000414986611 563756231 /nfs/dbraw/zinc/75/62/31/563756231.db2.gz NVKYWZXBDSZFGA-AWEZNQCLSA-N 1 3 380.252 2.683 20 0 GFADHO Cc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Br ZINC000414997628 563757101 /nfs/dbraw/zinc/75/71/01/563757101.db2.gz YLVMHTVGZZRBJV-AWEZNQCLSA-N 1 3 380.252 2.683 20 0 GFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]21 ZINC000566562204 564332642 /nfs/dbraw/zinc/33/26/42/564332642.db2.gz OKWKKVIJSBOONJ-YYQUZTFQSA-N 1 3 378.314 2.614 20 0 GFADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000513698122 564436721 /nfs/dbraw/zinc/43/67/21/564436721.db2.gz WTRZCRYZNJYWOV-IKGGRYGDSA-N 1 3 380.330 2.641 20 0 GFADHO C[N@H+]1CC[C@H](NCCNC(=O)c2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000513698122 564436725 /nfs/dbraw/zinc/43/67/25/564436725.db2.gz WTRZCRYZNJYWOV-IKGGRYGDSA-N 1 3 380.330 2.641 20 0 GFADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000513698125 564437040 /nfs/dbraw/zinc/43/70/40/564437040.db2.gz WTRZCRYZNJYWOV-YESZJQIVSA-N 1 3 380.330 2.641 20 0 GFADHO C[N@H+]1CC[C@H](NCCNC(=O)c2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000513698125 564437042 /nfs/dbraw/zinc/43/70/42/564437042.db2.gz WTRZCRYZNJYWOV-YESZJQIVSA-N 1 3 380.330 2.641 20 0 GFADHO CCN(CC)[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000481061579 564502240 /nfs/dbraw/zinc/50/22/40/564502240.db2.gz PFUQWQHGSDOEHR-SJLPKXTDSA-N 1 3 384.615 2.868 20 0 GFADHO C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1=CCN(C)CC1 ZINC000519597197 564583767 /nfs/dbraw/zinc/58/37/67/564583767.db2.gz QISSHUQGDJDLTB-BLLLJJGKSA-N 1 3 387.293 2.568 20 0 GFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000572393429 564593195 /nfs/dbraw/zinc/59/31/95/564593195.db2.gz JTDCDEVTUIWHSX-CJNGLKHVSA-N 1 3 389.309 2.649 20 0 GFADHO COCCC[NH+]1CCC(NC[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000584346014 565076772 /nfs/dbraw/zinc/07/67/72/565076772.db2.gz OVWIWBDWTKQYFB-INIZCTEOSA-N 1 3 391.339 2.824 20 0 GFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000660651807 565287037 /nfs/dbraw/zinc/28/70/37/565287037.db2.gz CKQZVEPYZCPRRJ-FUHWJXTLSA-N 1 3 383.330 2.607 20 0 GFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000660651807 565287040 /nfs/dbraw/zinc/28/70/40/565287040.db2.gz CKQZVEPYZCPRRJ-FUHWJXTLSA-N 1 3 383.330 2.607 20 0 GFADHO CN1CCC[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@H]1c1cccs1 ZINC000662743928 565383618 /nfs/dbraw/zinc/38/36/18/565383618.db2.gz ABHOXHHFZXZZNT-INWMFGNUSA-N 1 3 375.460 2.789 20 0 GFADHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(Br)ccc2F)CC1 ZINC000663501875 565423227 /nfs/dbraw/zinc/42/32/27/565423227.db2.gz BPPFJEFHFNISIY-UHFFFAOYSA-N 1 3 386.309 2.668 20 0 GFADHO CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736454458 598898921 /nfs/dbraw/zinc/89/89/21/598898921.db2.gz ZSMWQWINVOUDDK-UHFFFAOYSA-N 1 3 399.543 2.639 20 0 GFADHO CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736454458 598898922 /nfs/dbraw/zinc/89/89/22/598898922.db2.gz ZSMWQWINVOUDDK-UHFFFAOYSA-N 1 3 399.543 2.639 20 0 GFADHO CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736454458 598898924 /nfs/dbraw/zinc/89/89/24/598898924.db2.gz ZSMWQWINVOUDDK-UHFFFAOYSA-N 1 3 399.543 2.639 20 0 GFADHO CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736454458 598898927 /nfs/dbraw/zinc/89/89/27/598898927.db2.gz ZSMWQWINVOUDDK-UHFFFAOYSA-N 1 3 399.543 2.639 20 0 GFADHO C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824605179 609141052 /nfs/dbraw/zinc/14/10/52/609141052.db2.gz GEQUMKCQCGRHNU-HNNXBMFYSA-N 1 3 398.486 2.840 20 0 GFADHO C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824605179 609141054 /nfs/dbraw/zinc/14/10/54/609141054.db2.gz GEQUMKCQCGRHNU-HNNXBMFYSA-N 1 3 398.486 2.840 20 0 GFADHO O=C(Nc1ccc(Br)cn1)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903737194 663805505 /nfs/dbraw/zinc/80/55/05/663805505.db2.gz QHFCTGWBSLWKHI-AWEZNQCLSA-N 1 3 395.345 2.884 20 0 GFADHO Cc1cc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388203 664598195 /nfs/dbraw/zinc/59/81/95/664598195.db2.gz CVVGPDPHFLZRIE-ZJPYXAASSA-N 1 3 382.346 2.722 20 0 GFADHO Cc1cc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388203 664598197 /nfs/dbraw/zinc/59/81/97/664598197.db2.gz CVVGPDPHFLZRIE-ZJPYXAASSA-N 1 3 382.346 2.722 20 0 GFADHO [NH3+][C@@H]1CC[C@@H]2CN(C[C@H](O)COc3ccc(Cl)cc3Br)C[C@H]12 ZINC000923331688 664628452 /nfs/dbraw/zinc/62/84/52/664628452.db2.gz HUZWSMITTBBVTI-GVUJHPQVSA-N 1 3 389.721 2.511 20 0 GFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924672141 664659362 /nfs/dbraw/zinc/65/93/62/664659362.db2.gz SJJCUUCJOJPYEJ-YOEHRIQHSA-N 1 3 381.362 2.837 20 0 GFADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(I)cc1 ZINC000151376815 551412579 /nfs/dbraw/zinc/41/25/79/551412579.db2.gz MNCPPKFGZSGENN-ZDUSSCGKSA-N 1 3 388.293 2.789 20 0 GFADHO O=C(NCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000166426809 551631646 /nfs/dbraw/zinc/63/16/46/551631646.db2.gz DXHPXNCNRSUJDX-IAGOWNOFSA-N 1 3 380.330 2.785 20 0 GFADHO O=C(NCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000166426809 551631649 /nfs/dbraw/zinc/63/16/49/551631649.db2.gz DXHPXNCNRSUJDX-IAGOWNOFSA-N 1 3 380.330 2.785 20 0 GFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Br)s1 ZINC000168903303 551634964 /nfs/dbraw/zinc/63/49/64/551634964.db2.gz LYNIXXULGAXOTN-AWEZNQCLSA-N 1 3 390.391 2.551 20 0 GFADHO Brc1cccc([C@H]([NH2+]C[C@@H]2CNCCCO2)C2CCOCC2)c1 ZINC000423489210 563361122 /nfs/dbraw/zinc/36/11/22/563361122.db2.gz FOQRAWICUCPNNE-ZWKOTPCHSA-N 1 3 383.330 2.885 20 0 GFADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1Br ZINC000414179252 563722013 /nfs/dbraw/zinc/72/20/13/563722013.db2.gz ADEQNVDGEQMCNU-INIZCTEOSA-N 1 3 396.373 2.896 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000414681729 563749950 /nfs/dbraw/zinc/74/99/50/563749950.db2.gz WQYVMDJMDQOZFG-HNNXBMFYSA-N 1 3 380.330 2.611 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000414681729 563749953 /nfs/dbraw/zinc/74/99/53/563749953.db2.gz WQYVMDJMDQOZFG-HNNXBMFYSA-N 1 3 380.330 2.611 20 0 GFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(Br)c1 ZINC000505772755 564189873 /nfs/dbraw/zinc/18/98/73/564189873.db2.gz MRJQNJQJBGGEMU-GOSISDBHSA-N 1 3 396.373 2.866 20 0 GFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(Br)c1 ZINC000505772755 564189877 /nfs/dbraw/zinc/18/98/77/564189877.db2.gz MRJQNJQJBGGEMU-GOSISDBHSA-N 1 3 396.373 2.866 20 0 GFADHO C[C@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)CN1CCCC1 ZINC000569715485 564475238 /nfs/dbraw/zinc/47/52/38/564475238.db2.gz MDAMQJJPXNFRFU-CJNGLKHVSA-N 1 3 389.309 2.649 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584173254 564924471 /nfs/dbraw/zinc/92/44/71/564924471.db2.gz GADJOBBFBSJRMF-CVEARBPZSA-N 1 3 394.357 2.729 20 0 GFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000617503472 565243202 /nfs/dbraw/zinc/24/32/02/565243202.db2.gz KYHDZCTYAJVERG-JCGIZDLHSA-N 1 3 396.373 2.941 20 0 GFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000617503472 565243207 /nfs/dbraw/zinc/24/32/07/565243207.db2.gz KYHDZCTYAJVERG-JCGIZDLHSA-N 1 3 396.373 2.941 20 0 GFADHO CN(Cc1ccccc1Br)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639762886 565257978 /nfs/dbraw/zinc/25/79/78/565257978.db2.gz OMZJEWKVFOWDAM-UHFFFAOYSA-N 1 3 394.357 2.825 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC000666701986 565553929 /nfs/dbraw/zinc/55/39/29/565553929.db2.gz VYOSKBRTANPPFO-RHSMWYFYSA-N 1 3 380.330 2.783 20 0 GFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC000666701986 565553932 /nfs/dbraw/zinc/55/39/32/565553932.db2.gz VYOSKBRTANPPFO-RHSMWYFYSA-N 1 3 380.330 2.783 20 0 GFADHO C[C@H](NCCC1CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000650762121 565834237 /nfs/dbraw/zinc/83/42/37/565834237.db2.gz UEARDDMPSHIZRD-JTQLQIEISA-N 1 3 380.341 2.681 20 0 GFADHO O=S1(=O)CC[C@H](NCCC2CC[NH2+]CC2)c2cc(Br)ccc21 ZINC000650762480 565834395 /nfs/dbraw/zinc/83/43/95/565834395.db2.gz BKQWAAYHTNDRAL-HNNXBMFYSA-N 1 3 387.343 2.647 20 0 GFADHO [NH3+]C[C@]12CCC[C@H]1CN([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629539034 565857678 /nfs/dbraw/zinc/85/76/78/565857678.db2.gz PSRPFFLPFCFTMP-OWQGQXMQSA-N 1 3 378.314 2.763 20 0 GFADHO NC[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629539034 565857682 /nfs/dbraw/zinc/85/76/82/565857682.db2.gz PSRPFFLPFCFTMP-OWQGQXMQSA-N 1 3 378.314 2.763 20 0 GFADHO NC[C@]12CCC[C@H]1C[N@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629539034 565857684 /nfs/dbraw/zinc/85/76/84/565857684.db2.gz PSRPFFLPFCFTMP-OWQGQXMQSA-N 1 3 378.314 2.763 20 0 GFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ncc(Br)cc1F ZINC000635011217 566188445 /nfs/dbraw/zinc/18/84/45/566188445.db2.gz YHRPGRGLPKKBBE-LLVKDONJSA-N 1 3 380.265 2.961 20 0 GFADHO COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826157945 608377840 /nfs/dbraw/zinc/37/78/40/608377840.db2.gz SGWQILMUFXNZTH-QGZVFWFLSA-N 1 3 386.544 2.998 20 0 GFADHO COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826157945 608377842 /nfs/dbraw/zinc/37/78/42/608377842.db2.gz SGWQILMUFXNZTH-QGZVFWFLSA-N 1 3 386.544 2.998 20 0 GFADHO COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826157945 608377844 /nfs/dbraw/zinc/37/78/44/608377844.db2.gz SGWQILMUFXNZTH-QGZVFWFLSA-N 1 3 386.544 2.998 20 0 GFADHO COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826157945 608377846 /nfs/dbraw/zinc/37/78/46/608377846.db2.gz SGWQILMUFXNZTH-QGZVFWFLSA-N 1 3 386.544 2.998 20 0 GFADHO O[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000819061326 660245047 /nfs/dbraw/zinc/24/50/47/660245047.db2.gz KTDXFSVVISTFJC-MSOLQXFVSA-N 1 3 383.330 2.716 20 0 GFADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000819084760 660246085 /nfs/dbraw/zinc/24/60/85/660246085.db2.gz OONSLQJTQPEHKX-RDTXWAMCSA-N 1 3 383.330 2.573 20 0 GFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000124962072 654784865 /nfs/dbraw/zinc/78/48/65/654784865.db2.gz QYCUQKVFTLFISL-GOEBONIOSA-N 1 3 395.345 2.979 20 0 GFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000124962072 654784868 /nfs/dbraw/zinc/78/48/68/654784868.db2.gz QYCUQKVFTLFISL-GOEBONIOSA-N 1 3 395.345 2.979 20 0 GFADHO Cc1cc(Br)cc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000774995341 656582832 /nfs/dbraw/zinc/58/28/32/656582832.db2.gz BHYFWWHINNZDSC-KRWDZBQOSA-N 1 3 384.362 2.940 20 0 GFADHO C[NH+]1CCC(N2CC[C@@H](NCc3cc(Br)cnc3Cl)C2)CC1 ZINC000842680308 661348865 /nfs/dbraw/zinc/34/88/65/661348865.db2.gz OZEQYESKQBXRGD-CQSZACIVSA-N 1 3 387.753 2.756 20 0 GFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(Cl)sc1Cl ZINC000847418780 661591721 /nfs/dbraw/zinc/59/17/21/661591721.db2.gz KHZDMIGBFRLULO-LLVKDONJSA-N 1 3 379.357 2.938 20 0 GFADHO C[C@H]([NH3+])CCNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000857110759 662063668 /nfs/dbraw/zinc/06/36/68/662063668.db2.gz WJQJQJXFAPMWKW-AWEZNQCLSA-N 1 3 397.361 2.792 20 0 GFADHO C[NH+](C)[C@@H](CNC(=O)[C@@H](N)c1cccc(Br)c1)c1ccsc1 ZINC000870863668 662703865 /nfs/dbraw/zinc/70/38/65/662703865.db2.gz UJZNUSSXPCUFOQ-GJZGRUSLSA-N 1 3 382.327 2.930 20 0 GFADHO O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1)CN1CCCC1 ZINC000872027970 662754159 /nfs/dbraw/zinc/75/41/59/662754159.db2.gz OPQPZXYOFXTQEA-JQHSSLGASA-N 1 3 383.330 2.573 20 0 GFADHO CN1CCC(O)(C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872038187 662754447 /nfs/dbraw/zinc/75/44/47/662754447.db2.gz LFSNAEHEQLAODD-DOTOQJQBSA-N 1 3 383.330 2.573 20 0 GFADHO Cc1c(C[C@@H](C[NH3+])CN[C@@H]2CCc3cc(Br)ccc32)cnn1C ZINC000903925267 663812066 /nfs/dbraw/zinc/81/20/66/663812066.db2.gz MTPBKTZOKSPKEH-SCLBCKFNSA-N 1 3 377.330 2.886 20 0 GFADHO C[C@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)CC[C@H]1C[NH3+] ZINC000904410964 663833043 /nfs/dbraw/zinc/83/30/43/663833043.db2.gz RXWDDUAXUDHJNX-GJZGRUSLSA-N 1 3 382.346 2.702 20 0 GFADHO C[C@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)CC[C@@H]1C[NH3+] ZINC000904410966 663833293 /nfs/dbraw/zinc/83/32/93/663833293.db2.gz RXWDDUAXUDHJNX-LSDHHAIUSA-N 1 3 382.346 2.702 20 0 GFADHO C[C@@H](N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1nc(Br)ccc1F ZINC000925043467 664665943 /nfs/dbraw/zinc/66/59/43/664665943.db2.gz YQNRINDRSSFSAY-CHWSQXEVSA-N 1 3 385.325 2.802 20 0 GFADHO C[C@@H](N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1nc(Br)ccc1F ZINC000925043467 664665945 /nfs/dbraw/zinc/66/59/45/664665945.db2.gz YQNRINDRSSFSAY-CHWSQXEVSA-N 1 3 385.325 2.802 20 0 GFADHO