smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(C[N@H+]2CCc3nc(N4CCO[C@@H]5C[NH2+]CC[C@@H]5C4)ccc3C2)cc1 ZINC001164402648 718862242 /nfs/dbraw/zinc/86/22/42/718862242.db2.gz KESYTGDUIBTBNA-IFMALSPDSA-N 2 1 378.520 2.455 20 0 GEADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)nc1 ZINC001164415533 718885703 /nfs/dbraw/zinc/88/57/03/718885703.db2.gz JKLGAPIINMALPI-SFHVURJKSA-N 2 1 381.528 2.319 20 0 GEADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164617750 719015408 /nfs/dbraw/zinc/01/54/08/719015408.db2.gz OYLGWBBEQAUSNF-OWCLPIDISA-N 2 1 378.904 2.061 20 0 GEADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164617597 719015655 /nfs/dbraw/zinc/01/56/55/719015655.db2.gz OYLGWBBEQAUSNF-JYJNAYRXSA-N 2 1 378.904 2.061 20 0 GEADMP C[NH+]1CCN(c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)CC1 ZINC001164620371 719057494 /nfs/dbraw/zinc/05/74/94/719057494.db2.gz GJYDIKHTUGTKJX-SFTDATJTSA-N 2 1 392.551 2.329 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2C(=O)N2CCCCC2)c2c1CC[NH2+]C2 ZINC001164682961 719604832 /nfs/dbraw/zinc/60/48/32/719604832.db2.gz GSRFOXQRFUSORB-UHFFFAOYSA-N 2 1 396.539 2.379 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2C(=O)N2CCCCC2)c2c1CC[NH2+]C2 ZINC001164682961 719604842 /nfs/dbraw/zinc/60/48/42/719604842.db2.gz GSRFOXQRFUSORB-UHFFFAOYSA-N 2 1 396.539 2.379 20 0 GEADMP CCOC(=O)c1cc2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)[nH]c-2n1 ZINC001164682610 719630933 /nfs/dbraw/zinc/63/09/33/719630933.db2.gz OKIIRBFAWZTGIM-UHFFFAOYSA-N 2 1 396.495 2.411 20 0 GEADMP CCOC(=O)c1cc2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)[nH]c-2n1 ZINC001164682610 719630948 /nfs/dbraw/zinc/63/09/48/719630948.db2.gz OKIIRBFAWZTGIM-UHFFFAOYSA-N 2 1 396.495 2.411 20 0 GEADMP c1csc(C[N@H+]2CCOC3(CCN(c4cc(C5C[NH2+]C5)ncn4)CC3)C2)c1 ZINC001164707059 719910033 /nfs/dbraw/zinc/91/00/33/719910033.db2.gz MTLPACUKWAAGLV-UHFFFAOYSA-N 2 1 385.537 2.096 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH]1 ZINC001164818646 720308920 /nfs/dbraw/zinc/30/89/20/720308920.db2.gz AXKNNQBBMMNTCD-ROUUACIJSA-N 2 1 382.512 2.178 20 0 GEADMP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164721832 720405652 /nfs/dbraw/zinc/40/56/52/720405652.db2.gz BJJVSMGPUWHPPO-UXHICEINSA-N 2 1 378.524 2.082 20 0 GEADMP Cc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164762592 721081120 /nfs/dbraw/zinc/08/11/20/721081120.db2.gz FESBFXASQDADRT-OALUTQOASA-N 2 1 381.528 2.077 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164783379 721421680 /nfs/dbraw/zinc/42/16/80/721421680.db2.gz IDKMOUABDQOTEN-IYBDPMFKSA-N 3 1 384.553 2.034 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164783379 721421683 /nfs/dbraw/zinc/42/16/83/721421683.db2.gz IDKMOUABDQOTEN-IYBDPMFKSA-N 3 1 384.553 2.034 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(n3)CC[NH2+]C4)C[C@@H]21 ZINC001165025438 721804713 /nfs/dbraw/zinc/80/47/13/721804713.db2.gz OHWDWBDQEJYRJE-NBHGPNQESA-N 2 1 378.524 2.254 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(n3)CC[NH2+]C4)C[C@H]21 ZINC001165025439 721804794 /nfs/dbraw/zinc/80/47/94/721804794.db2.gz OHWDWBDQEJYRJE-OZOXKJRCSA-N 2 1 378.524 2.254 20 0 GEADMP Cc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc(N(C)C)[nH+]1 ZINC001164961908 722052707 /nfs/dbraw/zinc/05/27/07/722052707.db2.gz YBEHLPDMMQQKJX-UHFFFAOYSA-N 2 1 396.539 2.365 20 0 GEADMP Cc1nc(N(C)C)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)[nH+]1 ZINC001164961908 722052710 /nfs/dbraw/zinc/05/27/10/722052710.db2.gz YBEHLPDMMQQKJX-UHFFFAOYSA-N 2 1 396.539 2.365 20 0 GEADMP Cc1nc(N(C)C)cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)[nH+]1 ZINC001164961908 722052712 /nfs/dbraw/zinc/05/27/12/722052712.db2.gz YBEHLPDMMQQKJX-UHFFFAOYSA-N 2 1 396.539 2.365 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000178670298 532209166 /nfs/dbraw/zinc/20/91/66/532209166.db2.gz DDELQDOQVLANNT-MRXNPFEDSA-N 2 1 396.329 2.417 20 0 GEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000179396532 532229152 /nfs/dbraw/zinc/22/91/52/532229152.db2.gz QUUAWKKMWWOHNE-UHFFFAOYSA-N 2 1 382.555 2.476 20 0 GEADMP COc1cc(Br)ccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000182130175 532309385 /nfs/dbraw/zinc/30/93/85/532309385.db2.gz QRODHSLOADDHSX-UHFFFAOYSA-N 2 1 398.345 2.348 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000190951358 532358760 /nfs/dbraw/zinc/35/87/60/532358760.db2.gz RRHWDAOWYSLSGX-UHFFFAOYSA-N 2 1 380.739 2.418 20 0 GEADMP COc1cc2[nH+]ccc(NC[C@@H]3C[N@@H+](C)CCN3C)c2cc1Br ZINC000425232627 532377636 /nfs/dbraw/zinc/37/76/36/532377636.db2.gz UVSCIAPZSXPZGT-GFCCVEGCSA-N 2 1 379.302 2.086 20 0 GEADMP CC1(OCC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C[NH2+]C1 ZINC000648159370 532386338 /nfs/dbraw/zinc/38/63/38/532386338.db2.gz BGXZDHVRISRYQQ-UHFFFAOYSA-N 2 1 386.323 2.453 20 0 GEADMP O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000516435421 532386729 /nfs/dbraw/zinc/38/67/29/532386729.db2.gz AZSCOXPMSMGYGM-CQSZACIVSA-N 2 1 389.924 2.175 20 0 GEADMP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000294974141 532393984 /nfs/dbraw/zinc/39/39/84/532393984.db2.gz GPZKSPJBJWWIGB-GFCCVEGCSA-N 2 1 395.301 2.257 20 0 GEADMP CCc1nc(C[NH+]2CCC(CNC(=O)C[C@H]3CSCC[NH2+]3)CC2)cs1 ZINC000237042946 532502566 /nfs/dbraw/zinc/50/25/66/532502566.db2.gz SDLSPERPRTXLML-HNNXBMFYSA-N 2 1 382.599 2.129 20 0 GEADMP CC[N@H+](CCOc1ccc(Br)cc1)CCC(=O)N1CC[NH+](C)CC1 ZINC000521275694 532511761 /nfs/dbraw/zinc/51/17/61/532511761.db2.gz KWAKSLRLTKHSDM-UHFFFAOYSA-N 2 1 398.345 2.314 20 0 GEADMP CC[N@@H+](CCOc1ccc(Br)cc1)CCC(=O)N1CC[NH+](C)CC1 ZINC000521275694 532511768 /nfs/dbraw/zinc/51/17/68/532511768.db2.gz KWAKSLRLTKHSDM-UHFFFAOYSA-N 2 1 398.345 2.314 20 0 GEADMP CSc1cc(Br)ccc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000470014056 532518275 /nfs/dbraw/zinc/51/82/75/532518275.db2.gz UNDANINAPSRYOH-ZDUSSCGKSA-N 2 1 386.359 2.458 20 0 GEADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1cc(Cl)ccc1Cl ZINC000564974260 532541532 /nfs/dbraw/zinc/54/15/32/532541532.db2.gz FJWBLGVUJIMZPW-HNNXBMFYSA-N 2 1 377.312 2.170 20 0 GEADMP CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNC[C@H]1CCC[N@@H+]1C ZINC000296599086 532530104 /nfs/dbraw/zinc/53/01/04/532530104.db2.gz YFDLRXCUNZPNAO-SWLSCSKDSA-N 2 1 384.318 2.146 20 0 GEADMP CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNC[C@H]1CCC[N@H+]1C ZINC000296599086 532530117 /nfs/dbraw/zinc/53/01/17/532530117.db2.gz YFDLRXCUNZPNAO-SWLSCSKDSA-N 2 1 384.318 2.146 20 0 GEADMP C[C@H]1CC2(C[N@H+]1Cc1cc(=O)n3cc(Br)ccc3n1)CC[NH2+]CC2 ZINC000564832590 532534086 /nfs/dbraw/zinc/53/40/86/532534086.db2.gz LNDHPPUQBHXOBK-ZDUSSCGKSA-N 2 1 391.313 2.421 20 0 GEADMP C[NH+](Cc1cc(Br)ccc1C[N@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000433243446 532559328 /nfs/dbraw/zinc/55/93/28/532559328.db2.gz VWVUCFDXUCEUIU-UHFFFAOYSA-N 2 1 383.330 2.359 20 0 GEADMP C[NH+](Cc1ccc(Br)cc1C[N@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000433243446 532559330 /nfs/dbraw/zinc/55/93/30/532559330.db2.gz VWVUCFDXUCEUIU-UHFFFAOYSA-N 2 1 383.330 2.359 20 0 GEADMP C[NH+](Cc1ccc(Br)cc1C[N@@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000433243446 532559336 /nfs/dbraw/zinc/55/93/36/532559336.db2.gz VWVUCFDXUCEUIU-UHFFFAOYSA-N 2 1 383.330 2.359 20 0 GEADMP COc1ccc(Br)cc1[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262078097 532583805 /nfs/dbraw/zinc/58/38/05/532583805.db2.gz KMBBBKNMWFRHDN-MRXNPFEDSA-N 2 1 396.329 2.417 20 0 GEADMP C[C@]1(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC[NH2+]C1 ZINC000261742074 532577339 /nfs/dbraw/zinc/57/73/39/532577339.db2.gz IOLCHRFKPXCDTK-DYVFJYSZSA-N 2 1 381.318 2.494 20 0 GEADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)O1 ZINC000261998163 532580897 /nfs/dbraw/zinc/58/08/97/532580897.db2.gz NFNYHEWGOUNGPL-SJORKVTESA-N 2 1 396.329 2.036 20 0 GEADMP COCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000377585035 532661535 /nfs/dbraw/zinc/66/15/35/532661535.db2.gz UUDKIMJBLYSRGE-HNNXBMFYSA-N 2 1 385.961 2.450 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000581006785 532752906 /nfs/dbraw/zinc/75/29/06/532752906.db2.gz QEJTYOBFLPQEEZ-OAHLLOKOSA-N 2 1 377.312 2.434 20 0 GEADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000290536848 532883967 /nfs/dbraw/zinc/88/39/67/532883967.db2.gz YKODZONPVKRZTO-UHFFFAOYSA-N 2 1 381.318 2.422 20 0 GEADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737837414 598250325 /nfs/dbraw/zinc/25/03/25/598250325.db2.gz GNHZCJIODQELKK-UHFFFAOYSA-N 2 1 383.500 2.146 20 0 GEADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736479225 598620284 /nfs/dbraw/zinc/62/02/84/598620284.db2.gz DXFYNGODMRTZPJ-UHFFFAOYSA-N 2 1 377.518 2.063 20 0 GEADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@@]3([NH+](C)C)CCSC3)c2c1 ZINC000822195140 606242007 /nfs/dbraw/zinc/24/20/07/606242007.db2.gz IMEFNPOCHMIXIR-IBGZPJMESA-N 2 1 383.525 2.303 20 0 GEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000822476945 606857791 /nfs/dbraw/zinc/85/77/91/606857791.db2.gz ASJWKLWKKZENFN-IBGZPJMESA-N 2 1 393.426 2.323 20 0 GEADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000826263813 608016377 /nfs/dbraw/zinc/01/63/77/608016377.db2.gz RPNZNZKIKHUDEA-MRXNPFEDSA-N 2 1 393.495 2.119 20 0 GEADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826157802 608736946 /nfs/dbraw/zinc/73/69/46/608736946.db2.gz MRGOWSPPFDSOSQ-UHFFFAOYSA-N 2 1 378.546 2.499 20 0 GEADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000451560911 650125244 /nfs/dbraw/zinc/12/52/44/650125244.db2.gz BDPUJLXSJSSJOZ-MRXNPFEDSA-N 2 1 380.330 2.403 20 0 GEADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000451560911 650125247 /nfs/dbraw/zinc/12/52/47/650125247.db2.gz BDPUJLXSJSSJOZ-MRXNPFEDSA-N 2 1 380.330 2.403 20 0 GEADMP C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)[N@@H+]1CCc2sccc2C1 ZINC000481290011 650643793 /nfs/dbraw/zinc/64/37/93/650643793.db2.gz JBHRXOIRRNZFNT-KDOFPFPSSA-N 2 1 382.599 2.231 20 0 GEADMP C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)[N@H+]1CCc2sccc2C1 ZINC000481290011 650643796 /nfs/dbraw/zinc/64/37/96/650643796.db2.gz JBHRXOIRRNZFNT-KDOFPFPSSA-N 2 1 382.599 2.231 20 0 GEADMP C[N@@H+](CC(=O)Nc1ccccc1I)C1CCC([NH3+])CC1 ZINC000098002021 643099263 /nfs/dbraw/zinc/09/92/63/643099263.db2.gz OQNSSZUQJKBRAH-UHFFFAOYSA-N 2 1 387.265 2.431 20 0 GEADMP C[C@H](NC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000170912783 644296729 /nfs/dbraw/zinc/29/67/29/644296729.db2.gz FLWMALQDMNWUPK-LBPRGKRZSA-N 2 1 386.327 2.123 20 0 GEADMP O=C([C@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1)N1CC[NH2+]CC1 ZINC000261939188 645613908 /nfs/dbraw/zinc/61/39/08/645613908.db2.gz MKYGYYWJYRALBZ-ZDUSSCGKSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1)N1CC[NH2+]CC1 ZINC000261939188 645613916 /nfs/dbraw/zinc/61/39/16/645613916.db2.gz MKYGYYWJYRALBZ-ZDUSSCGKSA-N 2 1 384.293 2.232 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnc(Br)c1 ZINC000268265000 645956996 /nfs/dbraw/zinc/95/69/96/645956996.db2.gz TYSQKPWBEHRHFQ-OAHLLOKOSA-N 2 1 383.334 2.332 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccncc1Br ZINC000268667038 645986093 /nfs/dbraw/zinc/98/60/93/645986093.db2.gz YRLSCKUXJOEHKA-CQSZACIVSA-N 2 1 383.334 2.332 20 0 GEADMP Cc1cc(N2CCC([NH2+]Cc3c(Br)cnn3C)CC2)nc(C)[nH+]1 ZINC000278359028 646515832 /nfs/dbraw/zinc/51/58/32/646515832.db2.gz IRAIZSZOMUBVCK-UHFFFAOYSA-N 2 1 379.306 2.348 20 0 GEADMP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccc(Br)cc1 ZINC000333630259 647477300 /nfs/dbraw/zinc/47/73/00/647477300.db2.gz AUUAEXHVHYQTQI-CVEARBPZSA-N 2 1 394.313 2.088 20 0 GEADMP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccc(Br)cc1 ZINC000333630259 647477306 /nfs/dbraw/zinc/47/73/06/647477306.db2.gz AUUAEXHVHYQTQI-CVEARBPZSA-N 2 1 394.313 2.088 20 0 GEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C[C@@H]21 ZINC000391428237 647893449 /nfs/dbraw/zinc/89/34/49/647893449.db2.gz JLRJRYQMNGGLRX-BYCMXARLSA-N 2 1 377.286 2.016 20 0 GEADMP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000420350441 648413557 /nfs/dbraw/zinc/41/35/57/648413557.db2.gz SVDSKODFJCARPM-DZGCQCFKSA-N 2 1 385.339 2.150 20 0 GEADMP C[C@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000420350441 648413584 /nfs/dbraw/zinc/41/35/84/648413584.db2.gz SVDSKODFJCARPM-DZGCQCFKSA-N 2 1 385.339 2.150 20 0 GEADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423194243 648587019 /nfs/dbraw/zinc/58/70/19/648587019.db2.gz YQSVNYLXNHFCMB-CQSZACIVSA-N 2 1 379.302 2.164 20 0 GEADMP CCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000442867180 648851405 /nfs/dbraw/zinc/85/14/05/648851405.db2.gz XYVMZGKTHNZYAV-UHFFFAOYSA-N 2 1 377.913 2.221 20 0 GEADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000555537733 651227990 /nfs/dbraw/zinc/22/79/90/651227990.db2.gz VCKIGELBDUFSDL-HOTGVXAUSA-N 2 1 394.357 2.483 20 0 GEADMP CN(CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)S(=O)(=O)c1cccs1 ZINC000643475109 651488727 /nfs/dbraw/zinc/48/87/27/651488727.db2.gz CELYYNUEFXUWFD-IAGOWNOFSA-N 2 1 379.551 2.452 20 0 GEADMP CC1CC[NH+](C[C@H](O)C[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000563144684 651511831 /nfs/dbraw/zinc/51/18/31/651511831.db2.gz XXZMXKGLSVOQQF-QGZVFWFLSA-N 2 1 398.345 2.460 20 0 GEADMP O=C(N[C@H]1CC[NH2+]C1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000563457316 651525419 /nfs/dbraw/zinc/52/54/19/651525419.db2.gz JWQGUAKQUVJSNP-INIZCTEOSA-N 2 1 381.318 2.075 20 0 GEADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000728905433 651554375 /nfs/dbraw/zinc/55/43/75/651554375.db2.gz MHLQJLSHUXYTTR-QGZVFWFLSA-N 2 1 384.933 2.400 20 0 GEADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000728905433 651554383 /nfs/dbraw/zinc/55/43/83/651554383.db2.gz MHLQJLSHUXYTTR-QGZVFWFLSA-N 2 1 384.933 2.400 20 0 GEADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(OC(F)F)c(Br)c1 ZINC000647493026 651748484 /nfs/dbraw/zinc/74/84/84/651748484.db2.gz PKDPFIINGIORHL-UHFFFAOYSA-N 2 1 378.261 2.388 20 0 GEADMP O=c1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)nc2ccc(Br)cn12 ZINC000647814185 651760689 /nfs/dbraw/zinc/76/06/89/651760689.db2.gz BIVYRFVZNCZMNH-UHFFFAOYSA-N 2 1 377.286 2.173 20 0 GEADMP O=c1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)nc2ccc(Br)cn12 ZINC000647814185 651760693 /nfs/dbraw/zinc/76/06/93/651760693.db2.gz BIVYRFVZNCZMNH-UHFFFAOYSA-N 2 1 377.286 2.173 20 0 GEADMP C[C@]1(NC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000612891501 651775173 /nfs/dbraw/zinc/77/51/73/651775173.db2.gz JQXLDYGAUUAFEZ-SFHVURJKSA-N 2 1 395.345 2.465 20 0 GEADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000570687415 651783815 /nfs/dbraw/zinc/78/38/15/651783815.db2.gz VBPZTNBFQCWCOH-YOEHRIQHSA-N 2 1 397.317 2.001 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ncsc1Br ZINC000570712509 651785943 /nfs/dbraw/zinc/78/59/43/651785943.db2.gz QTNOBDLXDTVFTB-LBPRGKRZSA-N 2 1 389.363 2.394 20 0 GEADMP CC1(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[NH2+]C1 ZINC000649330321 651823312 /nfs/dbraw/zinc/82/33/12/651823312.db2.gz QIRGJVTWTPYWQD-UHFFFAOYSA-N 2 1 386.323 2.453 20 0 GEADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1ccccc1Br ZINC000655733680 652009157 /nfs/dbraw/zinc/00/91/57/652009157.db2.gz PPNQARLYBCWGOH-CVEARBPZSA-N 2 1 399.329 2.032 20 0 GEADMP OC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccccc1Br ZINC000655758558 652009604 /nfs/dbraw/zinc/00/96/04/652009604.db2.gz AUGSXGCGZBKMGQ-YJBOKZPZSA-N 2 1 397.357 2.443 20 0 GEADMP COc1cc(C[NH2+]CCC[NH+]2CCC2)cc(I)c1OC ZINC000580903766 652395946 /nfs/dbraw/zinc/39/59/46/652395946.db2.gz XNIKKWUTAWFGGD-UHFFFAOYSA-N 2 1 390.265 2.494 20 0 GEADMP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000629579416 652494008 /nfs/dbraw/zinc/49/40/08/652494008.db2.gz MNEYHGKXNWGZMD-UHFFFAOYSA-N 2 1 398.223 2.314 20 0 GEADMP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000629579416 652494011 /nfs/dbraw/zinc/49/40/11/652494011.db2.gz MNEYHGKXNWGZMD-UHFFFAOYSA-N 2 1 398.223 2.314 20 0 GEADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629581888 652494018 /nfs/dbraw/zinc/49/40/18/652494018.db2.gz JCDMSTVDYRDCIL-ZBFHGGJFSA-N 2 1 380.330 2.449 20 0 GEADMP O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000584830158 652530930 /nfs/dbraw/zinc/53/09/30/652530930.db2.gz LKYJYJXLCSTKDY-ZDUSSCGKSA-N 2 1 392.352 2.299 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000669927870 652727679 /nfs/dbraw/zinc/72/76/79/652727679.db2.gz CHYSVLJRSSRZHS-VXGBXAGGSA-N 2 1 375.357 2.213 20 0 GEADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Br)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764463840 652801574 /nfs/dbraw/zinc/80/15/74/652801574.db2.gz ACXPQRPGVUYXQE-AYOQOUSVSA-N 2 1 396.373 2.440 20 0 GEADMP COc1nsc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1Br ZINC000639136494 652922126 /nfs/dbraw/zinc/92/21/26/652922126.db2.gz MGEHSGBBGGUGGL-UHFFFAOYSA-N 2 1 377.352 2.030 20 0 GEADMP COc1nsc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1Br ZINC000639136494 652922129 /nfs/dbraw/zinc/92/21/29/652922129.db2.gz MGEHSGBBGGUGGL-UHFFFAOYSA-N 2 1 377.352 2.030 20 0 GEADMP COc1ccc(Br)c(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000641058768 653153526 /nfs/dbraw/zinc/15/35/26/653153526.db2.gz VKAXPRKPMHQZNI-UHFFFAOYSA-N 2 1 394.317 2.063 20 0 GEADMP CN(CCC[N@@H+](C)C[C@@H](O)c1ccc(F)c(Br)c1)CC[NH+](C)C ZINC000808781754 653235237 /nfs/dbraw/zinc/23/52/37/653235237.db2.gz OHMOALDNPXMQHC-QGZVFWFLSA-N 2 1 390.341 2.437 20 0 GEADMP Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c(Br)n1 ZINC000858129725 653349688 /nfs/dbraw/zinc/34/96/88/653349688.db2.gz PMXMGJVNXBBJCJ-UHFFFAOYSA-N 2 1 393.329 2.429 20 0 GEADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000819063253 653742302 /nfs/dbraw/zinc/74/23/02/653742302.db2.gz YCAMWCIWJHVVOB-GOSISDBHSA-N 2 1 384.362 2.490 20 0 GEADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000843048265 653777864 /nfs/dbraw/zinc/77/78/64/653777864.db2.gz VIMFLXJNQGMMHY-LLVKDONJSA-N 2 1 397.342 2.346 20 0 GEADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)c(Br)c1 ZINC000843061737 653778372 /nfs/dbraw/zinc/77/83/72/653778372.db2.gz HSJYMRSWHVQPRE-INIZCTEOSA-N 2 1 375.282 2.058 20 0 GEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843072536 653778782 /nfs/dbraw/zinc/77/87/82/653778782.db2.gz IKJBVTADHDINSZ-YOEHRIQHSA-N 2 1 389.309 2.448 20 0 GEADMP O=S(=O)(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1cccc(Br)c1 ZINC000843364584 653785735 /nfs/dbraw/zinc/78/57/35/653785735.db2.gz ITWFDIMFOOILJY-UHFFFAOYSA-N 2 1 387.343 2.298 20 0 GEADMP O=S(=O)(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)c1cccc(Br)c1 ZINC000843364584 653785737 /nfs/dbraw/zinc/78/57/37/653785737.db2.gz ITWFDIMFOOILJY-UHFFFAOYSA-N 2 1 387.343 2.298 20 0 GEADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000866706482 653813314 /nfs/dbraw/zinc/81/33/14/653813314.db2.gz ATINXACBAGIQTE-BJJXKVORSA-N 2 1 386.279 2.239 20 0 GEADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000866706482 653813316 /nfs/dbraw/zinc/81/33/16/653813316.db2.gz ATINXACBAGIQTE-BJJXKVORSA-N 2 1 386.279 2.239 20 0 GEADMP Cc1nc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)sc1Br ZINC000882988026 653820815 /nfs/dbraw/zinc/82/08/15/653820815.db2.gz WWUZMRNSYYVRCN-SNVBAGLBSA-N 2 1 377.308 2.322 20 0 GEADMP Cc1nc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)sc1Br ZINC000882988026 653820822 /nfs/dbraw/zinc/82/08/22/653820822.db2.gz WWUZMRNSYYVRCN-SNVBAGLBSA-N 2 1 377.308 2.322 20 0 GEADMP C[NH+]1CCN(c2ncc(C[NH2+]CCc3sccc3Br)cn2)CC1 ZINC000883282780 653833642 /nfs/dbraw/zinc/83/36/42/653833642.db2.gz FGOVZAWVARIZDP-UHFFFAOYSA-N 2 1 396.358 2.385 20 0 GEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000846221732 653891706 /nfs/dbraw/zinc/89/17/06/653891706.db2.gz DLPASLFBVXXGCW-LESCRADOSA-N 2 1 386.945 2.332 20 0 GEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000846221732 653891709 /nfs/dbraw/zinc/89/17/09/653891709.db2.gz DLPASLFBVXXGCW-LESCRADOSA-N 2 1 386.945 2.332 20 0 GEADMP [NH2+]=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)N1CCSCC1 ZINC000849067373 654003585 /nfs/dbraw/zinc/00/35/85/654003585.db2.gz ZMKZBECEVRQHIZ-UHFFFAOYSA-N 2 1 381.977 2.425 20 0 GEADMP [NH2+]=C(NC/C=C/c1ccc(Br)cc1)NCCC[NH+]1CCOCC1 ZINC000849114695 654004924 /nfs/dbraw/zinc/00/49/24/654004924.db2.gz RADUPCAFQFXCHP-HNQUOIGGSA-N 2 1 381.318 2.299 20 0 GEADMP [NH3+][C@@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1cccc(Br)c1 ZINC000870882144 654202513 /nfs/dbraw/zinc/20/25/13/654202513.db2.gz JQTNSLCAOGGMED-MRXNPFEDSA-N 2 1 396.329 2.210 20 0 GEADMP [NH3+]C[C@H]1CC(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)=NO1 ZINC000852866858 654264411 /nfs/dbraw/zinc/26/44/11/654264411.db2.gz MRRDUIDQZBIFTQ-CYBMUJFWSA-N 2 1 385.295 2.178 20 0 GEADMP [NH3+]CCCCCCNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000852893905 654265862 /nfs/dbraw/zinc/26/58/62/654265862.db2.gz DBEYFBSILHCALS-UHFFFAOYSA-N 2 1 393.294 2.205 20 0 GEADMP [NH3+][C@H]1C[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000891680774 654306405 /nfs/dbraw/zinc/30/64/05/654306405.db2.gz AHGQGSQHVPZUJX-KOMQPUFPSA-N 2 1 395.345 2.450 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCc3cc(Br)c(F)cc3C2)C1 ZINC000904428461 654310418 /nfs/dbraw/zinc/31/04/18/654310418.db2.gz LTNFNFKXFLMVKX-GFCCVEGCSA-N 2 1 384.293 2.144 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCc3cc(Br)c(F)cc3C2)C1 ZINC000904428461 654310422 /nfs/dbraw/zinc/31/04/22/654310422.db2.gz LTNFNFKXFLMVKX-GFCCVEGCSA-N 2 1 384.293 2.144 20 0 GEADMP Cc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Br ZINC000872255055 654319972 /nfs/dbraw/zinc/31/99/72/654319972.db2.gz IYAZPYUWDDWQIH-BMFZPTHFSA-N 2 1 380.286 2.124 20 0 GEADMP Cc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Br ZINC000872255055 654319975 /nfs/dbraw/zinc/31/99/75/654319975.db2.gz IYAZPYUWDDWQIH-BMFZPTHFSA-N 2 1 380.286 2.124 20 0 GEADMP C[C@H](C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(Br)c1 ZINC000872255639 654320226 /nfs/dbraw/zinc/32/02/26/654320226.db2.gz KQTWGLCGKUDADU-YYQUZTFQSA-N 2 1 394.313 2.420 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855345565 654414088 /nfs/dbraw/zinc/41/40/88/654414088.db2.gz CZHIJYGHYKNQKP-LRDDRELGSA-N 2 1 376.328 2.415 20 0 GEADMP O=C([C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1)N1CC[NH2+]CC1 ZINC000923283187 654441779 /nfs/dbraw/zinc/44/17/79/654441779.db2.gz TUHCBLCFKSGVOZ-CXAGYDPISA-N 2 1 386.323 2.171 20 0 GEADMP O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923367367 654447015 /nfs/dbraw/zinc/44/70/15/654447015.db2.gz UJWPHEOGKOEUMO-NVXWUHKLSA-N 2 1 387.293 2.403 20 0 GEADMP O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923367367 654447017 /nfs/dbraw/zinc/44/70/17/654447017.db2.gz UJWPHEOGKOEUMO-NVXWUHKLSA-N 2 1 387.293 2.403 20 0 GEADMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@H]1CC[NH3+] ZINC000923428647 654452217 /nfs/dbraw/zinc/45/22/17/654452217.db2.gz KBEIMIVIIMLKMV-LALPHHSUSA-N 2 1 375.282 2.245 20 0 GEADMP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923466791 654454795 /nfs/dbraw/zinc/45/47/95/654454795.db2.gz XWURTUPSHGZDDP-LLVKDONJSA-N 2 1 378.826 2.181 20 0 GEADMP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484751 654455517 /nfs/dbraw/zinc/45/55/17/654455517.db2.gz BNTJCGANRYUTJF-NEPJUHHUSA-N 2 1 387.265 2.289 20 0 GEADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517255 654458628 /nfs/dbraw/zinc/45/86/28/654458628.db2.gz BQXSMDKHWYUIKS-VNQPRFMTSA-N 2 1 380.330 2.337 20 0 GEADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517255 654458637 /nfs/dbraw/zinc/45/86/37/654458637.db2.gz BQXSMDKHWYUIKS-VNQPRFMTSA-N 2 1 380.330 2.337 20 0 GEADMP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925566369 654546076 /nfs/dbraw/zinc/54/60/76/654546076.db2.gz HGJHBDPFSVZQAQ-MLGOLLRUSA-N 2 1 384.318 2.308 20 0 GEADMP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925566370 654546087 /nfs/dbraw/zinc/54/60/87/654546087.db2.gz HGJHBDPFSVZQAQ-WBMJQRKESA-N 2 1 384.318 2.308 20 0 GEADMP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925566712 654546112 /nfs/dbraw/zinc/54/61/12/654546112.db2.gz LFLWQRULPZEFPZ-LTFPAQTLSA-N 2 1 392.341 2.384 20 0 GEADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2)[NH+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000931173983 654731857 /nfs/dbraw/zinc/73/18/57/654731857.db2.gz HRRLZHFQFXYCSB-DZVNLGKHSA-N 2 1 383.627 2.431 20 0 GEADMP C[C@H](CNC(=O)C[NH+]1CC[C@H]2CC[C@@H](C1)S2)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000931173983 654731861 /nfs/dbraw/zinc/73/18/61/654731861.db2.gz HRRLZHFQFXYCSB-DZVNLGKHSA-N 2 1 383.627 2.431 20 0 GEADMP C[C@H](CNC(=O)C[NH+]1CC[C@H]2CC[C@@H](C1)S2)[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000931173983 654731863 /nfs/dbraw/zinc/73/18/63/654731863.db2.gz HRRLZHFQFXYCSB-DZVNLGKHSA-N 2 1 383.627 2.431 20 0 GEADMP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000931482497 654743379 /nfs/dbraw/zinc/74/33/79/654743379.db2.gz VTYZUSWZGGDKBX-HNNXBMFYSA-N 2 1 375.282 2.010 20 0 GEADMP C[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000932206275 654770057 /nfs/dbraw/zinc/77/00/57/654770057.db2.gz ZWRVIVNFAYLLLJ-HNNXBMFYSA-N 2 1 382.302 2.073 20 0 GEADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c2c1C ZINC001164390370 718824679 /nfs/dbraw/zinc/82/46/79/718824679.db2.gz OABCYQFMXGGZCY-JKSUJKDBSA-N 2 1 387.553 2.471 20 0 GEADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCOCC34C[NH2+]C4)c2c1C ZINC001164404239 718860759 /nfs/dbraw/zinc/86/07/59/718860759.db2.gz OTNIVHNAFCCKLV-UHFFFAOYSA-N 2 1 387.553 2.473 20 0 GEADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164617595 719015261 /nfs/dbraw/zinc/01/52/61/719015261.db2.gz OYLGWBBEQAUSNF-HRCADAONSA-N 2 1 378.904 2.061 20 0 GEADMP C[NH+]1CCN(c2nccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164628622 719104420 /nfs/dbraw/zinc/10/44/20/719104420.db2.gz NUSYDBKKRBXDRX-NHCUHLMSSA-N 2 1 392.551 2.329 20 0 GEADMP C[NH+]1CCN(c2nccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164628622 719104429 /nfs/dbraw/zinc/10/44/29/719104429.db2.gz NUSYDBKKRBXDRX-NHCUHLMSSA-N 2 1 392.551 2.329 20 0 GEADMP C[NH+]1CCN(c2nccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164628624 719104799 /nfs/dbraw/zinc/10/47/99/719104799.db2.gz NUSYDBKKRBXDRX-RTWAWAEBSA-N 2 1 392.551 2.329 20 0 GEADMP C[NH+]1CCN(c2nccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164628624 719104808 /nfs/dbraw/zinc/10/48/08/719104808.db2.gz NUSYDBKKRBXDRX-RTWAWAEBSA-N 2 1 392.551 2.329 20 0 GEADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001164813773 720149632 /nfs/dbraw/zinc/14/96/32/720149632.db2.gz FAWPTLLSRLSZCS-KNQAVFIVSA-N 2 1 386.540 2.103 20 0 GEADMP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164821216 720286370 /nfs/dbraw/zinc/28/63/70/720286370.db2.gz ZERXBMMCRBLXMY-IAGOWNOFSA-N 2 1 382.512 2.178 20 0 GEADMP Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C1C[NH2+]C1 ZINC001164842665 720651816 /nfs/dbraw/zinc/65/18/16/720651816.db2.gz SZYLVKIESDQQME-YSIASYRMSA-N 2 1 395.555 2.046 20 0 GEADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164838351 720674273 /nfs/dbraw/zinc/67/42/73/720674273.db2.gz HLIMZXMZMMJYMT-LJQANCHMSA-N 2 1 393.535 2.382 20 0 GEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cccc(N3CC[NH+](C)CC3)n1)[C@@H]2C ZINC001164858122 720976798 /nfs/dbraw/zinc/97/67/98/720976798.db2.gz HEQZHACJGBAZHK-GOSISDBHSA-N 2 1 397.571 2.451 20 0 GEADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(N5CCCC5)cc[nH+]4)C3)O2)CC1 ZINC001164885617 721423362 /nfs/dbraw/zinc/42/33/62/721423362.db2.gz GTPOBSZWMZGCKU-GMAHTHKFSA-N 2 1 399.583 2.447 20 0 GEADMP c1csc(C[NH+]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@H]3C2)n1 ZINC001164780858 721437763 /nfs/dbraw/zinc/43/77/63/721437763.db2.gz AQTJQYXDJHXABM-QZTJIDSGSA-N 2 1 399.564 2.485 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4c(nn3)CC[NH2+]C4)C[C@H]21 ZINC001165029528 721818163 /nfs/dbraw/zinc/81/81/63/721818163.db2.gz ZOSVHQAPSCNJQU-LDQXTDLNSA-N 2 1 378.524 2.254 20 0 GEADMP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000294974143 532393643 /nfs/dbraw/zinc/39/36/43/532393643.db2.gz GPZKSPJBJWWIGB-LBPRGKRZSA-N 2 1 395.301 2.257 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(I)cn1 ZINC000596364159 532591945 /nfs/dbraw/zinc/59/19/45/532591945.db2.gz YGUIINZPVWCLKL-LBPRGKRZSA-N 2 1 376.286 2.370 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(I)cn1 ZINC000596364159 532591952 /nfs/dbraw/zinc/59/19/52/532591952.db2.gz YGUIINZPVWCLKL-LBPRGKRZSA-N 2 1 376.286 2.370 20 0 GEADMP CC(C)C[C@@H](C[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595924052 532575998 /nfs/dbraw/zinc/57/59/98/532575998.db2.gz GJLLFFSSPDXEBN-QMMMGPOBSA-N 2 1 393.294 2.059 20 0 GEADMP C[C@@H](CC[NH+](C)C)NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595944772 532579107 /nfs/dbraw/zinc/57/91/07/532579107.db2.gz XMEYWQANIKZYPY-QMMMGPOBSA-N 2 1 393.294 2.026 20 0 GEADMP O=c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc2ccc(Br)cn12 ZINC000569206116 532692189 /nfs/dbraw/zinc/69/21/89/532692189.db2.gz CRYOZBQTSILKCG-XJKSGUPXSA-N 2 1 391.313 2.421 20 0 GEADMP O=c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc2ccc(Br)cn12 ZINC000569206116 532692196 /nfs/dbraw/zinc/69/21/96/532692196.db2.gz CRYOZBQTSILKCG-XJKSGUPXSA-N 2 1 391.313 2.421 20 0 GEADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC000411510045 532765575 /nfs/dbraw/zinc/76/55/75/532765575.db2.gz WAOLSYLGALERDS-QGZVFWFLSA-N 2 1 398.345 2.061 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000415097194 532837883 /nfs/dbraw/zinc/83/78/83/532837883.db2.gz SBZRVZNLEXYAGH-CJNGLKHVSA-N 2 1 381.318 2.178 20 0 GEADMP C[NH+](C)C1CCN(CC[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000290371618 532879168 /nfs/dbraw/zinc/87/91/68/532879168.db2.gz NJUACTJMFDZAGR-UHFFFAOYSA-N 2 1 380.334 2.212 20 0 GEADMP COc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cc1-c1nn[nH]n1 ZINC000821803335 599430857 /nfs/dbraw/zinc/43/08/57/599430857.db2.gz FJCVCUUHAKLDLK-MRXNPFEDSA-N 2 1 394.483 2.041 20 0 GEADMP O=C(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737843272 599590593 /nfs/dbraw/zinc/59/05/93/599590593.db2.gz JYQWCVKQNGVQHC-CQSZACIVSA-N 2 1 389.529 2.207 20 0 GEADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737843272 599590596 /nfs/dbraw/zinc/59/05/96/599590596.db2.gz JYQWCVKQNGVQHC-CQSZACIVSA-N 2 1 389.529 2.207 20 0 GEADMP Cc1cc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)nc(C)[nH+]1 ZINC000822206979 607486250 /nfs/dbraw/zinc/48/62/50/607486250.db2.gz GUOGPNFISNHJHU-UHFFFAOYSA-N 2 1 382.447 2.171 20 0 GEADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000822373837 606859686 /nfs/dbraw/zinc/85/96/86/606859686.db2.gz DJVYONYHYGMUDW-QAPCUYQASA-N 2 1 379.468 2.038 20 0 GEADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000822373837 606859687 /nfs/dbraw/zinc/85/96/87/606859687.db2.gz DJVYONYHYGMUDW-QAPCUYQASA-N 2 1 379.468 2.038 20 0 GEADMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000822324135 606859868 /nfs/dbraw/zinc/85/98/68/606859868.db2.gz WIFVWSQBOFXICV-QAPCUYQASA-N 2 1 379.468 2.038 20 0 GEADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000822324135 606859870 /nfs/dbraw/zinc/85/98/70/606859870.db2.gz WIFVWSQBOFXICV-QAPCUYQASA-N 2 1 379.468 2.038 20 0 GEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000822373839 606860024 /nfs/dbraw/zinc/86/00/24/606860024.db2.gz DJVYONYHYGMUDW-YJBOKZPZSA-N 2 1 379.468 2.038 20 0 GEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000822373839 606860026 /nfs/dbraw/zinc/86/00/26/606860026.db2.gz DJVYONYHYGMUDW-YJBOKZPZSA-N 2 1 379.468 2.038 20 0 GEADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826508798 609381592 /nfs/dbraw/zinc/38/15/92/609381592.db2.gz BUFHYAOWGQUSKS-HXUWFJFHSA-N 2 1 378.480 2.113 20 0 GEADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824624978 609407200 /nfs/dbraw/zinc/40/72/00/609407200.db2.gz CZNYADSWZLVUOK-KSSFIOAISA-N 2 1 396.470 2.423 20 0 GEADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000103500541 643169158 /nfs/dbraw/zinc/16/91/58/643169158.db2.gz RHBAOAXOOHTGJF-INIZCTEOSA-N 2 1 394.313 2.355 20 0 GEADMP O[C@]1(C(F)(F)F)CC[NH+](CCCCC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000177283708 644412697 /nfs/dbraw/zinc/41/26/97/644412697.db2.gz MLCUUIFPFSAPGD-CHWSQXEVSA-N 2 1 378.357 2.155 20 0 GEADMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000186171618 645061994 /nfs/dbraw/zinc/06/19/94/645061994.db2.gz QEEIHCKTKAHHJI-HNNXBMFYSA-N 2 1 384.318 2.360 20 0 GEADMP Brc1c[nH+]ccc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000547501819 651029140 /nfs/dbraw/zinc/02/91/40/651029140.db2.gz FYWJABOSYIJJMB-UHFFFAOYSA-N 2 1 391.317 2.070 20 0 GEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C[C@@H]21 ZINC000391428252 647893683 /nfs/dbraw/zinc/89/36/83/647893683.db2.gz JLRJRYQMNGGLRX-TUKIKUTGSA-N 2 1 377.286 2.016 20 0 GEADMP COc1ccc(Br)cc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414675357 648099534 /nfs/dbraw/zinc/09/95/34/648099534.db2.gz FUGBFCKEOOJVBV-ZDUSSCGKSA-N 2 1 384.318 2.087 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCc3c(Br)ccc(F)c3C2)C1 ZINC000414717226 648101415 /nfs/dbraw/zinc/10/14/15/648101415.db2.gz UAPHUFKJPFDZQD-LBPRGKRZSA-N 2 1 384.293 2.144 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCc3c(Br)ccc(F)c3C2)C1 ZINC000414717226 648101421 /nfs/dbraw/zinc/10/14/21/648101421.db2.gz UAPHUFKJPFDZQD-LBPRGKRZSA-N 2 1 384.293 2.144 20 0 GEADMP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420404332 648416039 /nfs/dbraw/zinc/41/60/39/648416039.db2.gz NCEHMPFXRHGLGV-SNVBAGLBSA-N 2 1 379.810 2.471 20 0 GEADMP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423511846 648593539 /nfs/dbraw/zinc/59/35/39/648593539.db2.gz KIPKJOLDOKCGEQ-CJNGLKHVSA-N 2 1 387.309 2.106 20 0 GEADMP Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723699958 651478202 /nfs/dbraw/zinc/47/82/02/651478202.db2.gz XTYYIITVDMOPRP-LBPRGKRZSA-N 2 1 387.265 2.209 20 0 GEADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000603433358 651491373 /nfs/dbraw/zinc/49/13/73/651491373.db2.gz MNJDWLSGWXXSPB-BIMULSAOSA-N 2 1 387.265 2.334 20 0 GEADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(Br)c1OC(F)F ZINC000647493048 651748457 /nfs/dbraw/zinc/74/84/57/651748457.db2.gz QZDRKAHJTPTOKM-UHFFFAOYSA-N 2 1 378.261 2.388 20 0 GEADMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000647517922 651749435 /nfs/dbraw/zinc/74/94/35/651749435.db2.gz UTDSXCZZIJQYEX-CQSZACIVSA-N 2 1 377.312 2.170 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000571563192 651840669 /nfs/dbraw/zinc/84/06/69/651840669.db2.gz UMVSVTTYQFYBAE-KBPBESRZSA-N 2 1 396.329 2.463 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000571563192 651840674 /nfs/dbraw/zinc/84/06/74/651840674.db2.gz UMVSVTTYQFYBAE-KBPBESRZSA-N 2 1 396.329 2.463 20 0 GEADMP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000652357428 651916901 /nfs/dbraw/zinc/91/69/01/651916901.db2.gz OSJOVMIXSIOZDW-YSVLISHTSA-N 2 1 398.345 2.092 20 0 GEADMP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000652357428 651916904 /nfs/dbraw/zinc/91/69/04/651916904.db2.gz OSJOVMIXSIOZDW-YSVLISHTSA-N 2 1 398.345 2.092 20 0 GEADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H]3CCN(S(C)(=O)=O)C3)C2)s1 ZINC000574523397 652027907 /nfs/dbraw/zinc/02/79/07/652027907.db2.gz OQQIAHXQMGLKRJ-SJORKVTESA-N 2 1 385.599 2.092 20 0 GEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCN(S(C)(=O)=O)C3)C2)s1 ZINC000574523397 652027918 /nfs/dbraw/zinc/02/79/18/652027918.db2.gz OQQIAHXQMGLKRJ-SJORKVTESA-N 2 1 385.599 2.092 20 0 GEADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCN(S(C)(=O)=O)C3)C2)s1 ZINC000574523397 652027927 /nfs/dbraw/zinc/02/79/27/652027927.db2.gz OQQIAHXQMGLKRJ-SJORKVTESA-N 2 1 385.599 2.092 20 0 GEADMP CSC1(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH+](C)CC1 ZINC000576081680 652095068 /nfs/dbraw/zinc/09/50/68/652095068.db2.gz ZWDDBKOZSDKMQH-UHFFFAOYSA-N 2 1 382.599 2.233 20 0 GEADMP CSC1(CNC(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH+](C)CC1 ZINC000576081680 652095076 /nfs/dbraw/zinc/09/50/76/652095076.db2.gz ZWDDBKOZSDKMQH-UHFFFAOYSA-N 2 1 382.599 2.233 20 0 GEADMP Cn1ncc(Br)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597255 652177738 /nfs/dbraw/zinc/17/77/38/652177738.db2.gz RHISBAUNILMLKS-OAHLLOKOSA-N 2 1 379.302 2.039 20 0 GEADMP Cn1ncc(Br)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657597255 652177743 /nfs/dbraw/zinc/17/77/43/652177743.db2.gz RHISBAUNILMLKS-OAHLLOKOSA-N 2 1 379.302 2.039 20 0 GEADMP C[C@H]([NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000579941832 652360216 /nfs/dbraw/zinc/36/02/16/652360216.db2.gz CNCDXGNMKNGBQW-NSHDSACASA-N 2 1 375.332 2.199 20 0 GEADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccc(Br)cn1 ZINC000662293463 652455192 /nfs/dbraw/zinc/45/51/92/652455192.db2.gz SGYQXGSKPFOJHC-AWEZNQCLSA-N 2 1 381.318 2.494 20 0 GEADMP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CCO1 ZINC000662973219 652479983 /nfs/dbraw/zinc/47/99/83/652479983.db2.gz QIJPYGUJFSPILG-BBRMVZONSA-N 2 1 384.318 2.018 20 0 GEADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc(Br)cnc1F ZINC000859358731 653449986 /nfs/dbraw/zinc/44/99/86/653449986.db2.gz KKOZXFZEUHHLCB-UHFFFAOYSA-N 2 1 387.297 2.081 20 0 GEADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc(Br)cnc1F ZINC000859358731 653449992 /nfs/dbraw/zinc/44/99/92/653449992.db2.gz KKOZXFZEUHHLCB-UHFFFAOYSA-N 2 1 387.297 2.081 20 0 GEADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)C[C@H]1C(F)(F)F ZINC000877357876 653478659 /nfs/dbraw/zinc/47/86/59/653478659.db2.gz VECSODUBCBZILZ-HLUHBDAQSA-N 2 1 380.208 2.045 20 0 GEADMP Cn1nc(Br)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000785514350 653711085 /nfs/dbraw/zinc/71/10/85/653711085.db2.gz OLJTVIHQAQVVMV-INIZCTEOSA-N 2 1 393.329 2.429 20 0 GEADMP Cn1nc(Br)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000785514350 653711087 /nfs/dbraw/zinc/71/10/87/653711087.db2.gz OLJTVIHQAQVVMV-INIZCTEOSA-N 2 1 393.329 2.429 20 0 GEADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000818997426 653740335 /nfs/dbraw/zinc/74/03/35/653740335.db2.gz AMQNMVDTMVHRDI-IAGOWNOFSA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000818997426 653740336 /nfs/dbraw/zinc/74/03/36/653740336.db2.gz AMQNMVDTMVHRDI-IAGOWNOFSA-N 2 1 398.345 2.015 20 0 GEADMP O[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C[NH+]1CCCCC1 ZINC000843061282 653778299 /nfs/dbraw/zinc/77/82/99/653778299.db2.gz DJVUIUDAOKKBEZ-XJKSGUPXSA-N 2 1 375.282 2.058 20 0 GEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843099555 653779301 /nfs/dbraw/zinc/77/93/01/653779301.db2.gz ANKNWMBGNKGYKG-CZUORRHYSA-N 2 1 377.298 2.304 20 0 GEADMP C[C@@H]1C[NH+](CCCCCC[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@@]1=O ZINC000792387125 653841030 /nfs/dbraw/zinc/84/10/30/653841030.db2.gz BUAMFHWLGJJDGV-IHTAVHLHSA-N 2 1 376.632 2.229 20 0 GEADMP C[C@@H]1C[NH+](CCCCCC[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@@]1=O ZINC000792387125 653841032 /nfs/dbraw/zinc/84/10/32/653841032.db2.gz BUAMFHWLGJJDGV-IHTAVHLHSA-N 2 1 376.632 2.229 20 0 GEADMP [NH3+][C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000884220496 653868165 /nfs/dbraw/zinc/86/81/65/653868165.db2.gz UXQMGFMDZPWCHF-QGZVFWFLSA-N 2 1 396.329 2.020 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000849063994 654003600 /nfs/dbraw/zinc/00/36/00/654003600.db2.gz SPNMTGRPYSQWMD-CHWSQXEVSA-N 2 1 389.327 2.331 20 0 GEADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C2 ZINC000903490922 654241156 /nfs/dbraw/zinc/24/11/56/654241156.db2.gz NCTLXWVTJXRKOH-BFCNOCSMSA-N 2 1 386.279 2.144 20 0 GEADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C2 ZINC000903490922 654241161 /nfs/dbraw/zinc/24/11/61/654241161.db2.gz NCTLXWVTJXRKOH-BFCNOCSMSA-N 2 1 386.279 2.144 20 0 GEADMP [NH3+][C@H](C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000852858169 654263881 /nfs/dbraw/zinc/26/38/81/654263881.db2.gz SGJBPQYOTDRADW-PBHICJAKSA-N 2 1 396.329 2.209 20 0 GEADMP C[N@H+](CCOc1ccc(Br)cc1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903878493 654288913 /nfs/dbraw/zinc/28/89/13/654288913.db2.gz WDNXLTOZNWUQJN-OAHLLOKOSA-N 2 1 394.317 2.476 20 0 GEADMP C[N@@H+](CCOc1ccc(Br)cc1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903878493 654288916 /nfs/dbraw/zinc/28/89/16/654288916.db2.gz WDNXLTOZNWUQJN-OAHLLOKOSA-N 2 1 394.317 2.476 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903986980 654294448 /nfs/dbraw/zinc/29/44/48/654294448.db2.gz VZPSVUYHUQVJCN-LBPRGKRZSA-N 2 1 384.293 2.144 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903986980 654294455 /nfs/dbraw/zinc/29/44/55/654294455.db2.gz VZPSVUYHUQVJCN-LBPRGKRZSA-N 2 1 384.293 2.144 20 0 GEADMP CC[N@@H+](CCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)CCC(F)(F)F ZINC000891857213 654315399 /nfs/dbraw/zinc/31/53/99/654315399.db2.gz RWHNKHHDBMCJOW-WDEREUQCSA-N 2 1 378.361 2.039 20 0 GEADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C)nc3Br)C2)[C@@H]1C(C)C ZINC000922391864 654389249 /nfs/dbraw/zinc/38/92/49/654389249.db2.gz BNEQIYKUJPYOCM-AIANPOQGSA-N 2 1 385.350 2.142 20 0 GEADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Br)nn3C)C2)[C@@H]1C(C)C ZINC000922394708 654389521 /nfs/dbraw/zinc/38/95/21/654389521.db2.gz RPFHLHWXHAGEGS-JHNDHUHGSA-N 2 1 385.350 2.142 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)cnc1Cl ZINC000855346039 654414274 /nfs/dbraw/zinc/41/42/74/654414274.db2.gz MINKXDREUCADBZ-NSHDSACASA-N 2 1 391.741 2.499 20 0 GEADMP Brc1ccc(CN2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)s1 ZINC000923319259 654443450 /nfs/dbraw/zinc/44/34/50/654443450.db2.gz NOULHQAVMODVNM-CYBMUJFWSA-N 2 1 386.359 2.007 20 0 GEADMP Brc1ccc(CN2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)s1 ZINC000923319260 654443678 /nfs/dbraw/zinc/44/36/78/654443678.db2.gz NOULHQAVMODVNM-ZDUSSCGKSA-N 2 1 386.359 2.007 20 0 GEADMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[C@H]1C[NH3+] ZINC000923494530 654456724 /nfs/dbraw/zinc/45/67/24/654456724.db2.gz YMZKDVLNUMDVFX-TYNCELHUSA-N 2 1 375.282 2.245 20 0 GEADMP C[C@H]1C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000923497945 654457212 /nfs/dbraw/zinc/45/72/12/654457212.db2.gz NLQSJYSVCQXMHV-STQMWFEESA-N 2 1 375.332 2.140 20 0 GEADMP C[C@H]1C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000923497945 654457214 /nfs/dbraw/zinc/45/72/14/654457214.db2.gz NLQSJYSVCQXMHV-STQMWFEESA-N 2 1 375.332 2.140 20 0 GEADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1Br ZINC000925684384 654547708 /nfs/dbraw/zinc/54/77/08/654547708.db2.gz ABQSQMNPTVQZDP-WMLDXEAASA-N 2 1 383.330 2.483 20 0 GEADMP OC[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)Cc1ccc(F)c(Br)c1 ZINC000925690385 654548041 /nfs/dbraw/zinc/54/80/41/654548041.db2.gz VDLNFHVUWMXUDP-PHEWQEMJSA-N 2 1 383.305 2.325 20 0 GEADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925688891 654548128 /nfs/dbraw/zinc/54/81/28/654548128.db2.gz RHMUZTUEJWTXNQ-GUYCJALGSA-N 2 1 383.330 2.483 20 0 GEADMP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486646 654743958 /nfs/dbraw/zinc/74/39/58/654743958.db2.gz UTUBHSLYKWLDGB-CYBMUJFWSA-N 2 1 384.318 2.165 20 0 GEADMP c1ccc(C[N@H+]2CCc3nc(N4CCO[C@H]5C[NH2+]CC[C@H]5C4)ccc3C2)cc1 ZINC001164402651 718862214 /nfs/dbraw/zinc/86/22/14/718862214.db2.gz KESYTGDUIBTBNA-UNMCSNQZSA-N 2 1 378.520 2.455 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3[nH]cc(F)c32)c2c1CC[NH2+]C2 ZINC001164684115 719603625 /nfs/dbraw/zinc/60/36/25/719603625.db2.gz MKBHPNLUAOWCIZ-UHFFFAOYSA-N 2 1 377.855 2.422 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3[nH]cc(F)c32)c2c1CC[NH2+]C2 ZINC001164684115 719603630 /nfs/dbraw/zinc/60/36/30/719603630.db2.gz MKBHPNLUAOWCIZ-UHFFFAOYSA-N 2 1 377.855 2.422 20 0 GEADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001164816796 720151968 /nfs/dbraw/zinc/15/19/68/720151968.db2.gz MTTNXJRGCJSSDR-XXBNENTESA-N 3 1 399.583 2.194 20 0 GEADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164816796 720151971 /nfs/dbraw/zinc/15/19/71/720151971.db2.gz MTTNXJRGCJSSDR-XXBNENTESA-N 2 1 399.583 2.194 20 0 GEADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164816796 720151976 /nfs/dbraw/zinc/15/19/76/720151976.db2.gz MTTNXJRGCJSSDR-XXBNENTESA-N 2 1 399.583 2.194 20 0 GEADMP Cn1nnc2c1CCN(c1ccc3c([nH+]1)CCCC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717652 720177875 /nfs/dbraw/zinc/17/78/75/720177875.db2.gz LDDAWXSORKTPGK-HXUWFJFHSA-N 2 1 396.539 2.305 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164726428 720420435 /nfs/dbraw/zinc/42/04/35/720420435.db2.gz CBRJHYIPKQCSGN-VQTJNVASSA-N 2 1 378.524 2.257 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)[nH+]2)CC1 ZINC001164726428 720420441 /nfs/dbraw/zinc/42/04/41/720420441.db2.gz CBRJHYIPKQCSGN-VQTJNVASSA-N 3 1 378.524 2.257 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)[nH+]2)CC1 ZINC001164726428 720420451 /nfs/dbraw/zinc/42/04/51/720420451.db2.gz CBRJHYIPKQCSGN-VQTJNVASSA-N 3 1 378.524 2.257 20 0 GEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4c(n3)CC[NH2+]C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832827 720515753 /nfs/dbraw/zinc/51/57/53/720515753.db2.gz BMXJCEPTCANUSV-SVFBPWRDSA-N 2 1 380.540 2.302 20 0 GEADMP C[NH+](C)Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751032 720853480 /nfs/dbraw/zinc/85/34/80/720853480.db2.gz PTYQMCZNGSACQL-PWRODBHTSA-N 2 1 395.555 2.114 20 0 GEADMP Cc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164866895 721052700 /nfs/dbraw/zinc/05/27/00/721052700.db2.gz GUECCKFYQNCEJQ-UXHICEINSA-N 2 1 394.523 2.260 20 0 GEADMP Clc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164880438 721131101 /nfs/dbraw/zinc/13/11/01/721131101.db2.gz WRKGDLYXWSWXFO-DLBZAZTESA-N 2 1 399.926 2.255 20 0 GEADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164909316 721546175 /nfs/dbraw/zinc/54/61/75/721546175.db2.gz RIOXMBCZFGUZGZ-UYAOXDASSA-N 2 1 397.498 2.425 20 0 GEADMP C[NH+](C)Cc1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978001 722149748 /nfs/dbraw/zinc/14/97/48/722149748.db2.gz JCJPSZCSRIJOKL-SFTDATJTSA-N 2 1 381.524 2.266 20 0 GEADMP CN(C)c1[nH+]cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)n1C ZINC000519363433 531211452 /nfs/dbraw/zinc/21/14/52/531211452.db2.gz HWWMCRIRSKGRPC-UHFFFAOYSA-N 2 1 395.305 2.092 20 0 GEADMP Cc1cc(I)ccc1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044513221 531681626 /nfs/dbraw/zinc/68/16/26/531681626.db2.gz ODBOMZYQIBRELT-UHFFFAOYSA-N 2 1 387.265 2.209 20 0 GEADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000171656349 531910499 /nfs/dbraw/zinc/91/04/99/531910499.db2.gz UMMPJLUUWQTOQO-UHFFFAOYSA-N 2 1 386.309 2.478 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000182959555 532320170 /nfs/dbraw/zinc/32/01/70/532320170.db2.gz QVYHFGVJSLQGFK-HNNXBMFYSA-N 2 1 390.355 2.302 20 0 GEADMP COc1c(Br)cccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000186919073 532342445 /nfs/dbraw/zinc/34/24/45/532342445.db2.gz DNBZARHVEPWGTM-UHFFFAOYSA-N 2 1 398.345 2.348 20 0 GEADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000187229438 532343596 /nfs/dbraw/zinc/34/35/96/532343596.db2.gz ZPKRJFGZLLXDLK-INIZCTEOSA-N 2 1 388.961 2.460 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000187366899 532344221 /nfs/dbraw/zinc/34/42/21/532344221.db2.gz MEXIYIVXCQGARU-QGZVFWFLSA-N 2 1 388.325 2.191 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc[nH]c(=O)c1Br ZINC000468904490 532480561 /nfs/dbraw/zinc/48/05/61/532480561.db2.gz JTQWWSUQGZCLBE-ZDUSSCGKSA-N 2 1 399.333 2.038 20 0 GEADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430607533 532502240 /nfs/dbraw/zinc/50/22/40/532502240.db2.gz CHYLIBKLGHVVKA-AWEZNQCLSA-N 2 1 391.313 2.284 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000411794825 532776132 /nfs/dbraw/zinc/77/61/32/532776132.db2.gz DHACFCKPNVTHPQ-GOSISDBHSA-N 2 1 388.339 2.391 20 0 GEADMP C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415738439 532855168 /nfs/dbraw/zinc/85/51/68/532855168.db2.gz FIXIXALPZUZKAZ-LBPRGKRZSA-N 2 1 399.333 2.083 20 0 GEADMP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000737033313 598986368 /nfs/dbraw/zinc/98/63/68/598986368.db2.gz UCWUOCWKIVACNQ-UHFFFAOYSA-N 2 1 388.516 2.306 20 0 GEADMP C[N@H+](CCN1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)Cc1ccccc1 ZINC000736799611 598811628 /nfs/dbraw/zinc/81/16/28/598811628.db2.gz UGKVWGUYYQCCCX-UHFFFAOYSA-N 2 1 391.523 2.116 20 0 GEADMP C[N@@H+](CCN1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)Cc1ccccc1 ZINC000736799611 598811630 /nfs/dbraw/zinc/81/16/30/598811630.db2.gz UGKVWGUYYQCCCX-UHFFFAOYSA-N 2 1 391.523 2.116 20 0 GEADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000738421695 599487261 /nfs/dbraw/zinc/48/72/61/599487261.db2.gz TXJNGBRAJOGVBD-UHFFFAOYSA-N 2 1 380.500 2.259 20 0 GEADMP C[C@H](CC[NH+](C)C)Nc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000820243156 599500523 /nfs/dbraw/zinc/50/05/23/599500523.db2.gz WTKMSIPKZSGIMJ-SNVBAGLBSA-N 2 1 377.399 2.190 20 0 GEADMP Cc1nn(-c2ccccc2)c(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826332091 608314708 /nfs/dbraw/zinc/31/47/08/608314708.db2.gz JQRMHXJGKBFKOB-YOEHRIQHSA-N 2 1 380.500 2.275 20 0 GEADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000825866089 608509194 /nfs/dbraw/zinc/50/91/94/608509194.db2.gz QVHZSJRGOBFTSB-FQEVSTJZSA-N 2 1 383.544 2.107 20 0 GEADMP c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000826517662 608511895 /nfs/dbraw/zinc/51/18/95/608511895.db2.gz KWIQYGHMJKUIHR-ICSRJNTNSA-N 2 1 382.512 2.477 20 0 GEADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824626399 609372353 /nfs/dbraw/zinc/37/23/53/609372353.db2.gz NRFHPWLLAFNICP-MGPUTAFESA-N 2 1 378.480 2.284 20 0 GEADMP CN(C(=O)NCC[NH+]1CCSCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458376417 650401354 /nfs/dbraw/zinc/40/13/54/650401354.db2.gz DJFRLKLEMOKJQL-UHFFFAOYSA-N 2 1 382.496 2.093 20 0 GEADMP COCC[NH+]1CCC([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000462049393 650465101 /nfs/dbraw/zinc/46/51/01/650465101.db2.gz NIPUMNRWNYQMRF-UHFFFAOYSA-N 2 1 398.345 2.269 20 0 GEADMP C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(Cl)c(Cl)c1 ZINC000530032976 650711064 /nfs/dbraw/zinc/71/10/64/650711064.db2.gz YFWNLLXZEPEOAX-SJORKVTESA-N 2 1 385.339 2.102 20 0 GEADMP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cc1 ZINC000530239700 650719413 /nfs/dbraw/zinc/71/94/13/650719413.db2.gz TZYXFXCUJREFRP-QGZVFWFLSA-N 2 1 396.329 2.478 20 0 GEADMP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261819152 645603108 /nfs/dbraw/zinc/60/31/08/645603108.db2.gz IEXRUFIGZOZSIB-ZIAGYGMSSA-N 2 1 381.318 2.494 20 0 GEADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000262236699 645621273 /nfs/dbraw/zinc/62/12/73/645621273.db2.gz VVNAAAXOBAVLNK-UHFFFAOYSA-N 2 1 380.330 2.234 20 0 GEADMP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[C@H]1[NH3+] ZINC000332339026 647435102 /nfs/dbraw/zinc/43/51/02/647435102.db2.gz SHOUIKJGEQLKFT-CXAGYDPISA-N 2 1 395.345 2.402 20 0 GEADMP NS(=O)(=O)c1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1Br ZINC000414268522 648088870 /nfs/dbraw/zinc/08/88/70/648088870.db2.gz UPYJHWQGNOFQHW-UHFFFAOYSA-N 2 1 390.347 2.062 20 0 GEADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[C@H]1CCC[NH2+]C1 ZINC000423221878 648587851 /nfs/dbraw/zinc/58/78/51/648587851.db2.gz YNLMIBHGQSTIOQ-LOWVWBTDSA-N 2 1 390.347 2.135 20 0 GEADMP C[C@@H]([NH3+])C1CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000430923476 648770517 /nfs/dbraw/zinc/77/05/17/648770517.db2.gz FCIFYBCZIFBLOS-GFCCVEGCSA-N 2 1 375.332 2.282 20 0 GEADMP CC(C)(C)[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000442870500 648851628 /nfs/dbraw/zinc/85/16/28/648851628.db2.gz DFPOJKRGDQGLCJ-UHFFFAOYSA-N 2 1 375.485 2.096 20 0 GEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc3c(cc2Br)OCO3)CC1 ZINC000729684229 651574335 /nfs/dbraw/zinc/57/43/35/651574335.db2.gz MQNKTPZDGHERDG-UHFFFAOYSA-N 2 1 384.318 2.295 20 0 GEADMP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000647835382 651761975 /nfs/dbraw/zinc/76/19/75/651761975.db2.gz WNTRSKYVOVXKRM-KGLIPLIRSA-N 2 1 387.355 2.396 20 0 GEADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000647835382 651761978 /nfs/dbraw/zinc/76/19/78/651761978.db2.gz WNTRSKYVOVXKRM-KGLIPLIRSA-N 2 1 387.355 2.396 20 0 GEADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(Br)cn1 ZINC000649417968 651825809 /nfs/dbraw/zinc/82/58/09/651825809.db2.gz RLPPUJHHWVSFKQ-ZIAGYGMSSA-N 2 1 381.318 2.494 20 0 GEADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H]3CCN(S(C)(=O)=O)C3)C2)s1 ZINC000574523395 652027530 /nfs/dbraw/zinc/02/75/30/652027530.db2.gz OQQIAHXQMGLKRJ-IAGOWNOFSA-N 2 1 385.599 2.092 20 0 GEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CCN(S(C)(=O)=O)C3)C2)s1 ZINC000574523395 652027533 /nfs/dbraw/zinc/02/75/33/652027533.db2.gz OQQIAHXQMGLKRJ-IAGOWNOFSA-N 2 1 385.599 2.092 20 0 GEADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CCN(S(C)(=O)=O)C3)C2)s1 ZINC000574523395 652027541 /nfs/dbraw/zinc/02/75/41/652027541.db2.gz OQQIAHXQMGLKRJ-IAGOWNOFSA-N 2 1 385.599 2.092 20 0 GEADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000574642846 652033775 /nfs/dbraw/zinc/03/37/75/652033775.db2.gz FOCYMAVLZUQVKB-CABCVRRESA-N 2 1 386.334 2.090 20 0 GEADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000574642846 652033782 /nfs/dbraw/zinc/03/37/82/652033782.db2.gz FOCYMAVLZUQVKB-CABCVRRESA-N 2 1 386.334 2.090 20 0 GEADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662487037 652463688 /nfs/dbraw/zinc/46/36/88/652463688.db2.gz PEESCRYSWJFNSE-WMLDXEAASA-N 2 1 398.345 2.408 20 0 GEADMP [NH3+][C@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1ccccc1Br ZINC000662519559 652465624 /nfs/dbraw/zinc/46/56/24/652465624.db2.gz WMHIRRYIBSVSOG-SDBXPKJASA-N 2 1 381.299 2.360 20 0 GEADMP [NH3+][C@H](C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1Br ZINC000662576511 652468451 /nfs/dbraw/zinc/46/84/51/652468451.db2.gz VMUALQODOVWERQ-XYPHTWIQSA-N 2 1 396.329 2.194 20 0 GEADMP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000628968856 652476780 /nfs/dbraw/zinc/47/67/80/652476780.db2.gz SZYZYSGPPLFTJD-DYVFJYSZSA-N 2 1 387.355 2.348 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCSC[C@H]1c1nccs1 ZINC000665760891 652559612 /nfs/dbraw/zinc/55/96/12/652559612.db2.gz RICBCGGFCCKYLH-GJZGRUSLSA-N 2 1 385.603 2.215 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCSC[C@H]1c1nccs1 ZINC000665760891 652559613 /nfs/dbraw/zinc/55/96/13/652559613.db2.gz RICBCGGFCCKYLH-GJZGRUSLSA-N 2 1 385.603 2.215 20 0 GEADMP C[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](C)[S@@](=O)CC2)CC[S@@]1=O ZINC000759866684 652589817 /nfs/dbraw/zinc/58/98/17/652589817.db2.gz GZABLFNYSIGYIH-VBVDBJQASA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](C)[S@@](=O)CC2)CC[S@@]1=O ZINC000759866684 652589820 /nfs/dbraw/zinc/58/98/20/652589820.db2.gz GZABLFNYSIGYIH-VBVDBJQASA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](C)[S@@](=O)CC2)CC[S@@]1=O ZINC000759866684 652589823 /nfs/dbraw/zinc/58/98/23/652589823.db2.gz GZABLFNYSIGYIH-VBVDBJQASA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H](CCNC(=O)c1sc2c(c1I)C[NH2+]C2)[NH+](C)C ZINC000595959411 652743763 /nfs/dbraw/zinc/74/37/63/652743763.db2.gz DMNGYUWFTGTCOC-QMMMGPOBSA-N 2 1 393.294 2.026 20 0 GEADMP CN1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639049074 652917626 /nfs/dbraw/zinc/91/76/26/652917626.db2.gz HKPROKZDYHYGBH-KURKYZTESA-N 2 1 382.346 2.241 20 0 GEADMP CN1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639049074 652917628 /nfs/dbraw/zinc/91/76/28/652917628.db2.gz HKPROKZDYHYGBH-KURKYZTESA-N 2 1 382.346 2.241 20 0 GEADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876778130 653447454 /nfs/dbraw/zinc/44/74/54/653447454.db2.gz XGRBXNNQELYDPH-WMLDXEAASA-N 2 1 398.320 2.477 20 0 GEADMP CCc1nc(C[NH+]2CCC(C[NH2+]CC3CCS(=O)(=O)CC3)CC2)cs1 ZINC000877039803 653462736 /nfs/dbraw/zinc/46/27/36/653462736.db2.gz JNVVQDQEGLVHRD-UHFFFAOYSA-N 2 1 385.599 2.332 20 0 GEADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000877357879 653478433 /nfs/dbraw/zinc/47/84/33/653478433.db2.gz VECSODUBCBZILZ-QRTLGDNMSA-N 2 1 380.208 2.045 20 0 GEADMP O=C(CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(Br)cc1 ZINC000818986355 653739853 /nfs/dbraw/zinc/73/98/53/653739853.db2.gz MERCRELWHKFRMB-HOTGVXAUSA-N 2 1 382.302 2.231 20 0 GEADMP O=C(CC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(Br)cc1 ZINC000818986355 653739857 /nfs/dbraw/zinc/73/98/57/653739857.db2.gz MERCRELWHKFRMB-HOTGVXAUSA-N 2 1 382.302 2.231 20 0 GEADMP C[C@@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000843061686 653778400 /nfs/dbraw/zinc/77/84/00/653778400.db2.gz HFGSOBRVRZPHIR-RHSMWYFYSA-N 2 1 389.309 2.232 20 0 GEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843072531 653778791 /nfs/dbraw/zinc/77/87/91/653778791.db2.gz IKJBVTADHDINSZ-WMLDXEAASA-N 2 1 389.309 2.448 20 0 GEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000843100659 653779253 /nfs/dbraw/zinc/77/92/53/653779253.db2.gz DWOBLDCEVQQKHG-RHSMWYFYSA-N 2 1 391.325 2.478 20 0 GEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843099551 653779281 /nfs/dbraw/zinc/77/92/81/653779281.db2.gz ANKNWMBGNKGYKG-BBRMVZONSA-N 2 1 377.298 2.304 20 0 GEADMP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707702 653813269 /nfs/dbraw/zinc/81/32/69/653813269.db2.gz BHNNEHISUYWJKH-KOZAUXTDSA-N 2 1 380.286 2.377 20 0 GEADMP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707702 653813272 /nfs/dbraw/zinc/81/32/72/653813272.db2.gz BHNNEHISUYWJKH-KOZAUXTDSA-N 2 1 380.286 2.377 20 0 GEADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000884196194 653867438 /nfs/dbraw/zinc/86/74/38/653867438.db2.gz KHSDLRXZNLYNIE-JKIFEVAISA-N 2 1 398.345 2.455 20 0 GEADMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1cccc(Br)c1 ZINC000849092938 654003943 /nfs/dbraw/zinc/00/39/43/654003943.db2.gz CCLOEIJPQCETGN-AWEZNQCLSA-N 2 1 399.333 2.053 20 0 GEADMP O=S(=O)(N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1)C(F)(F)F ZINC000903111129 654217086 /nfs/dbraw/zinc/21/70/86/654217086.db2.gz UBTCMVUMNWOWRU-LQDVMPOASA-N 2 1 381.464 2.048 20 0 GEADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)C2 ZINC000903490891 654241020 /nfs/dbraw/zinc/24/10/20/654241020.db2.gz LSIADSVTZJJCRH-RVPKQNPDSA-N 2 1 386.279 2.144 20 0 GEADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)C2 ZINC000903490891 654241028 /nfs/dbraw/zinc/24/10/28/654241028.db2.gz LSIADSVTZJJCRH-RVPKQNPDSA-N 2 1 386.279 2.144 20 0 GEADMP OCC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725562 654281405 /nfs/dbraw/zinc/28/14/05/654281405.db2.gz CXCZXHOCVXIXDZ-NVXWUHKLSA-N 2 1 387.293 2.151 20 0 GEADMP OCC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725562 654281412 /nfs/dbraw/zinc/28/14/12/654281412.db2.gz CXCZXHOCVXIXDZ-NVXWUHKLSA-N 2 1 387.293 2.151 20 0 GEADMP OCC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725564 654281585 /nfs/dbraw/zinc/28/15/85/654281585.db2.gz CXCZXHOCVXIXDZ-WBVHZDCISA-N 2 1 387.293 2.151 20 0 GEADMP OCC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725564 654281590 /nfs/dbraw/zinc/28/15/90/654281590.db2.gz CXCZXHOCVXIXDZ-WBVHZDCISA-N 2 1 387.293 2.151 20 0 GEADMP O[C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]1c1ccc(Br)cc1 ZINC000903777036 654283215 /nfs/dbraw/zinc/28/32/15/654283215.db2.gz ZGUZBNRVDRCTHO-BSDSXHPESA-N 2 1 381.314 2.325 20 0 GEADMP O[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]1c1ccc(Br)cc1 ZINC000903777036 654283223 /nfs/dbraw/zinc/28/32/23/654283223.db2.gz ZGUZBNRVDRCTHO-BSDSXHPESA-N 2 1 381.314 2.325 20 0 GEADMP O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903905902 654291556 /nfs/dbraw/zinc/29/15/56/654291556.db2.gz PTJKTRPNQBESHV-AGUYFDCRSA-N 2 1 389.974 2.238 20 0 GEADMP Cc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Br ZINC000872255056 654320041 /nfs/dbraw/zinc/32/00/41/654320041.db2.gz IYAZPYUWDDWQIH-IMJJTQAJSA-N 2 1 380.286 2.124 20 0 GEADMP Cc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Br ZINC000872255056 654320044 /nfs/dbraw/zinc/32/00/44/654320044.db2.gz IYAZPYUWDDWQIH-IMJJTQAJSA-N 2 1 380.286 2.124 20 0 GEADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000891949659 654320121 /nfs/dbraw/zinc/32/01/21/654320121.db2.gz VSXYQFBLPBLUQS-FUHWJXTLSA-N 2 1 386.378 2.426 20 0 GEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000905587641 654368320 /nfs/dbraw/zinc/36/83/20/654368320.db2.gz QKWQQGPJDIUJJK-KRWDZBQOSA-N 2 1 393.329 2.217 20 0 GEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000905587641 654368325 /nfs/dbraw/zinc/36/83/25/654368325.db2.gz QKWQQGPJDIUJJK-KRWDZBQOSA-N 2 1 393.329 2.217 20 0 GEADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(S(C)(=O)=O)s3)C2)[C@H]1C(C)C ZINC000922396167 654390022 /nfs/dbraw/zinc/39/00/22/654390022.db2.gz VQTYTQMIRXQLNB-AHCXZYCDSA-N 2 1 386.583 2.111 20 0 GEADMP C[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000923334726 654445410 /nfs/dbraw/zinc/44/54/10/654445410.db2.gz JPEHXUVHDGOPMH-GJZGRUSLSA-N 2 1 375.282 2.402 20 0 GEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923348813 654446055 /nfs/dbraw/zinc/44/60/55/654446055.db2.gz LHPLKLQFKOAFMI-DOMZBBRYSA-N 2 1 375.282 2.389 20 0 GEADMP O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923354667 654446094 /nfs/dbraw/zinc/44/60/94/654446094.db2.gz CWESAIJBCTXDSN-NVXWUHKLSA-N 2 1 387.293 2.403 20 0 GEADMP O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923354667 654446099 /nfs/dbraw/zinc/44/60/99/654446099.db2.gz CWESAIJBCTXDSN-NVXWUHKLSA-N 2 1 387.293 2.403 20 0 GEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C2 ZINC000923428810 654452303 /nfs/dbraw/zinc/45/23/03/654452303.db2.gz ZYGUKWPHZWDANY-NORZTCDRSA-N 2 1 389.721 2.384 20 0 GEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C2 ZINC000923428810 654452308 /nfs/dbraw/zinc/45/23/08/654452308.db2.gz ZYGUKWPHZWDANY-NORZTCDRSA-N 2 1 389.721 2.384 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487266 654456041 /nfs/dbraw/zinc/45/60/41/654456041.db2.gz YEIOGFIPBYHYEX-RYUDHWBXSA-N 2 1 387.265 2.289 20 0 GEADMP C[C@@H]1C[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923494528 654456819 /nfs/dbraw/zinc/45/68/19/654456819.db2.gz YMZKDVLNUMDVFX-JMSVASOKSA-N 2 1 375.282 2.245 20 0 GEADMP C[N@@H+]1CC[C@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000923634241 654472721 /nfs/dbraw/zinc/47/27/21/654472721.db2.gz LGKASNSLPLMNLR-CKEIUWERSA-N 2 1 389.924 2.143 20 0 GEADMP C[N@H+]1CC[C@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000923634241 654472724 /nfs/dbraw/zinc/47/27/24/654472724.db2.gz LGKASNSLPLMNLR-CKEIUWERSA-N 2 1 389.924 2.143 20 0 GEADMP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925152801 654535541 /nfs/dbraw/zinc/53/55/41/654535541.db2.gz JGKOGDULBBZNFW-DLBZAZTESA-N 2 1 382.599 2.401 20 0 GEADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925405466 654543856 /nfs/dbraw/zinc/54/38/56/654543856.db2.gz OOPCLJRUNDNFOA-MRXNPFEDSA-N 2 1 383.334 2.226 20 0 GEADMP OC[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)Cc1cc(Br)ccc1F ZINC000925688827 654548091 /nfs/dbraw/zinc/54/80/91/654548091.db2.gz QJAYCZJOIGGBTE-JONXDRGHSA-N 2 1 383.305 2.325 20 0 GEADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]2C1 ZINC000931435409 654742682 /nfs/dbraw/zinc/74/26/82/654742682.db2.gz AQIRSZPMCFETHP-JKIFEVAISA-N 2 1 378.314 2.438 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]2C1 ZINC000931435409 654742685 /nfs/dbraw/zinc/74/26/85/654742685.db2.gz AQIRSZPMCFETHP-JKIFEVAISA-N 2 1 378.314 2.438 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]2C1 ZINC000931435409 654742689 /nfs/dbraw/zinc/74/26/89/654742689.db2.gz AQIRSZPMCFETHP-JKIFEVAISA-N 2 1 378.314 2.438 20 0 GEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164807107 720124250 /nfs/dbraw/zinc/12/42/50/720124250.db2.gz BKPHHOCOYZFEPO-GCJKJVERSA-N 2 1 399.539 2.262 20 0 GEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164807107 720124254 /nfs/dbraw/zinc/12/42/54/720124254.db2.gz BKPHHOCOYZFEPO-GCJKJVERSA-N 2 1 399.539 2.262 20 0 GEADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164814338 720137654 /nfs/dbraw/zinc/13/76/54/720137654.db2.gz RUBRXAYRTVUXFO-NZQKXSOJSA-N 2 1 399.583 2.018 20 0 GEADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001164813775 720149209 /nfs/dbraw/zinc/14/92/09/720149209.db2.gz FAWPTLLSRLSZCS-SIKLNZKXSA-N 2 1 386.540 2.103 20 0 GEADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-n3ccnc3)cc[nH+]1)CCC2 ZINC001164813214 720241688 /nfs/dbraw/zinc/24/16/88/720241688.db2.gz LHECDNMLBVDWMJ-UHFFFAOYSA-N 2 1 393.495 2.075 20 0 GEADMP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164833018 720320881 /nfs/dbraw/zinc/32/08/81/720320881.db2.gz VSKBWVOVYIHINY-QZTJIDSGSA-N 2 1 396.539 2.486 20 0 GEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c(n3)CC[NH2+]C4)CC[C@@H]21 ZINC001164832831 720516368 /nfs/dbraw/zinc/51/63/68/720516368.db2.gz BMXJCEPTCANUSV-ZJOUEHCJSA-N 2 1 380.540 2.302 20 0 GEADMP c1ncn(C[C@H]2C[C@@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745467 720808856 /nfs/dbraw/zinc/80/88/56/720808856.db2.gz KOZRWLRGLBLHPX-BHIYHBOVSA-N 2 1 394.527 2.022 20 0 GEADMP c1ncn(C[C@H]2C[C@@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745467 720808858 /nfs/dbraw/zinc/80/88/58/720808858.db2.gz KOZRWLRGLBLHPX-BHIYHBOVSA-N 2 1 394.527 2.022 20 0 GEADMP Nc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc[nH+]1 ZINC001164758143 720899806 /nfs/dbraw/zinc/89/98/06/720899806.db2.gz XCVIODNTMXOHCC-DENIHFKCSA-N 2 1 394.523 2.209 20 0 GEADMP Nc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc[nH+]1 ZINC001164758143 720899807 /nfs/dbraw/zinc/89/98/07/720899807.db2.gz XCVIODNTMXOHCC-DENIHFKCSA-N 2 1 394.523 2.209 20 0 GEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1C[NH2+]CC3)[C@H]2C ZINC001164862461 720921279 /nfs/dbraw/zinc/92/12/79/720921279.db2.gz VZXUJVKVQZKFOG-ZDUSSCGKSA-N 2 1 389.935 2.394 20 0 GEADMP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(C[N@@H+](C)C3CC3)cn2)CC1 ZINC001165011613 721746783 /nfs/dbraw/zinc/74/67/83/721746783.db2.gz ZKZDNPCXSGXHRY-UHFFFAOYSA-N 2 1 385.556 2.199 20 0 GEADMP C[C@@H]([NH2+]Cc1nccs1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000128234370 532162610 /nfs/dbraw/zinc/16/26/10/532162610.db2.gz PAKZAISIZRBOEY-CQSZACIVSA-N 2 1 382.555 2.224 20 0 GEADMP COc1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1Br ZINC000178666922 532208853 /nfs/dbraw/zinc/20/88/53/532208853.db2.gz ZTHVOQCBLURENJ-CYBMUJFWSA-N 2 1 384.318 2.272 20 0 GEADMP COc1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1Br ZINC000178666907 532209215 /nfs/dbraw/zinc/20/92/15/532209215.db2.gz ZTHVOQCBLURENJ-ZDUSSCGKSA-N 2 1 384.318 2.272 20 0 GEADMP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000516847790 532392228 /nfs/dbraw/zinc/39/22/28/532392228.db2.gz KWNZLWJFJBVMPW-KGLIPLIRSA-N 2 1 398.345 2.394 20 0 GEADMP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000516847790 532392236 /nfs/dbraw/zinc/39/22/36/532392236.db2.gz KWNZLWJFJBVMPW-KGLIPLIRSA-N 2 1 398.345 2.394 20 0 GEADMP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000516847792 532393114 /nfs/dbraw/zinc/39/31/14/532393114.db2.gz KWNZLWJFJBVMPW-ZIAGYGMSSA-N 2 1 398.345 2.394 20 0 GEADMP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000516847792 532393120 /nfs/dbraw/zinc/39/31/20/532393120.db2.gz KWNZLWJFJBVMPW-ZIAGYGMSSA-N 2 1 398.345 2.394 20 0 GEADMP C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCSCC2)[C@H]1c1cccs1 ZINC000465914288 532421933 /nfs/dbraw/zinc/42/19/33/532421933.db2.gz ALRFTYIHJRQZDN-WBVHZDCISA-N 2 1 382.599 2.479 20 0 GEADMP C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCSCC2)[C@H]1c1cccs1 ZINC000465914288 532421939 /nfs/dbraw/zinc/42/19/39/532421939.db2.gz ALRFTYIHJRQZDN-WBVHZDCISA-N 2 1 382.599 2.479 20 0 GEADMP C[NH+](C)CCN1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1=O ZINC000651383387 532471391 /nfs/dbraw/zinc/47/13/91/532471391.db2.gz XISAHTRRPGUSPX-UHFFFAOYSA-N 2 1 377.286 2.208 20 0 GEADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430641864 532502176 /nfs/dbraw/zinc/50/21/76/532502176.db2.gz JKNQZQQOCYBUOR-NEPJUHHUSA-N 2 1 387.311 2.107 20 0 GEADMP O=C([C@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1)N1CC[NH2+]CC1 ZINC000470012942 532517736 /nfs/dbraw/zinc/51/77/36/532517736.db2.gz LAACAIAHZNPBHT-ZDUSSCGKSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1)N1CC[NH2+]CC1 ZINC000470019001 532518518 /nfs/dbraw/zinc/51/85/18/532518518.db2.gz CEBOCPCBEMKWNN-AWEZNQCLSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1)N1CC[NH2+]CC1 ZINC000470019001 532518520 /nfs/dbraw/zinc/51/85/20/532518520.db2.gz CEBOCPCBEMKWNN-AWEZNQCLSA-N 2 1 384.293 2.232 20 0 GEADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000470257205 532524932 /nfs/dbraw/zinc/52/49/32/532524932.db2.gz JQYOLPOPJUNXFF-MAUKXSAKSA-N 2 1 393.329 2.261 20 0 GEADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000470257205 532524936 /nfs/dbraw/zinc/52/49/36/532524936.db2.gz JQYOLPOPJUNXFF-MAUKXSAKSA-N 2 1 393.329 2.261 20 0 GEADMP CN1CCN(C(=O)CC[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433286655 532561565 /nfs/dbraw/zinc/56/15/65/532561565.db2.gz JQWRAACTRBFKJQ-KRWDZBQOSA-N 2 1 394.357 2.478 20 0 GEADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433286655 532561573 /nfs/dbraw/zinc/56/15/73/532561573.db2.gz JQWRAACTRBFKJQ-KRWDZBQOSA-N 2 1 394.357 2.478 20 0 GEADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433286655 532561577 /nfs/dbraw/zinc/56/15/77/532561577.db2.gz JQWRAACTRBFKJQ-KRWDZBQOSA-N 2 1 394.357 2.478 20 0 GEADMP COc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000262068636 532584280 /nfs/dbraw/zinc/58/42/80/532584280.db2.gz RUMWIAIVOAVCNG-CQSZACIVSA-N 2 1 384.318 2.277 20 0 GEADMP COc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000262068636 532584283 /nfs/dbraw/zinc/58/42/83/532584283.db2.gz RUMWIAIVOAVCNG-CQSZACIVSA-N 2 1 384.318 2.277 20 0 GEADMP C[NH+](C)CCOCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000478927236 532662443 /nfs/dbraw/zinc/66/24/43/532662443.db2.gz XIZTVZHYKSJIGG-UHFFFAOYSA-N 2 1 384.208 2.237 20 0 GEADMP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568513119 532680098 /nfs/dbraw/zinc/68/00/98/532680098.db2.gz CGSLHRMALCHHSW-ZIAGYGMSSA-N 2 1 396.329 2.463 20 0 GEADMP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568513119 532680107 /nfs/dbraw/zinc/68/01/07/532680107.db2.gz CGSLHRMALCHHSW-ZIAGYGMSSA-N 2 1 396.329 2.463 20 0 GEADMP Cc1ncc(CNc2cc(Br)cnc2N2CC[NH+](C)CC2)n1C ZINC000581022703 532753242 /nfs/dbraw/zinc/75/32/42/532753242.db2.gz FOUVZDPGVCOEMC-UHFFFAOYSA-N 2 1 379.306 2.250 20 0 GEADMP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414755954 532834841 /nfs/dbraw/zinc/83/48/41/532834841.db2.gz ILGBWQXXYDYMME-KGLIPLIRSA-N 2 1 380.330 2.393 20 0 GEADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000414744074 532834903 /nfs/dbraw/zinc/83/49/03/532834903.db2.gz JGKAQXFREZJKGF-SDDDUWNISA-N 2 1 386.323 2.081 20 0 GEADMP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414755955 532834949 /nfs/dbraw/zinc/83/49/49/532834949.db2.gz ILGBWQXXYDYMME-UONOGXRCSA-N 2 1 380.330 2.393 20 0 GEADMP CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415484626 532847031 /nfs/dbraw/zinc/84/70/31/532847031.db2.gz IHUVDRVUOFTESV-UHFFFAOYSA-N 2 1 399.333 2.083 20 0 GEADMP Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000275509169 570695295 /nfs/dbraw/zinc/69/52/95/570695295.db2.gz KCMZHLDCAIPCMK-IRLDBZIGSA-N 2 1 399.514 2.176 20 0 GEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1C ZINC000736564748 598991453 /nfs/dbraw/zinc/99/14/53/598991453.db2.gz DKKQUCKOKNJKSB-CHWSQXEVSA-N 2 1 377.518 2.061 20 0 GEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1C ZINC000736564748 598991455 /nfs/dbraw/zinc/99/14/55/598991455.db2.gz DKKQUCKOKNJKSB-CHWSQXEVSA-N 2 1 377.518 2.061 20 0 GEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1C ZINC000736564748 598991457 /nfs/dbraw/zinc/99/14/57/598991457.db2.gz DKKQUCKOKNJKSB-CHWSQXEVSA-N 2 1 377.518 2.061 20 0 GEADMP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000821794487 599419605 /nfs/dbraw/zinc/41/96/05/599419605.db2.gz IPVUQMYGUYAPFZ-UHFFFAOYSA-N 2 1 382.468 2.470 20 0 GEADMP COc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cc1-c1nn[nH]n1 ZINC000821803326 599431077 /nfs/dbraw/zinc/43/10/77/599431077.db2.gz FJCVCUUHAKLDLK-INIZCTEOSA-N 2 1 394.483 2.041 20 0 GEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000821378148 599439082 /nfs/dbraw/zinc/43/90/82/599439082.db2.gz JWYIBTYCTSAQSW-MAUKXSAKSA-N 2 1 388.516 2.102 20 0 GEADMP C[C@@H](CC[NH+](C)C)Nc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000820243155 599500348 /nfs/dbraw/zinc/50/03/48/599500348.db2.gz WTKMSIPKZSGIMJ-JTQLQIEISA-N 2 1 377.399 2.190 20 0 GEADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@]3([NH+](C)C)CCSC3)c2c1 ZINC000822195141 606241967 /nfs/dbraw/zinc/24/19/67/606241967.db2.gz IMEFNPOCHMIXIR-LJQANCHMSA-N 2 1 383.525 2.303 20 0 GEADMP COc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1-c1nn[nH]n1 ZINC000821809149 606619629 /nfs/dbraw/zinc/61/96/29/606619629.db2.gz MLJOLWRTLWXLNW-UHFFFAOYSA-N 2 1 394.483 2.041 20 0 GEADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000820722671 606890635 /nfs/dbraw/zinc/89/06/35/606890635.db2.gz LJJPQOBPVKGCRE-FXAWDEMLSA-N 2 1 384.528 2.344 20 0 GEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000820722671 606890636 /nfs/dbraw/zinc/89/06/36/606890636.db2.gz LJJPQOBPVKGCRE-FXAWDEMLSA-N 2 1 384.528 2.344 20 0 GEADMP O[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681567 606894138 /nfs/dbraw/zinc/89/41/38/606894138.db2.gz GVTYPGXTTRUTFW-FXAWDEMLSA-N 2 1 384.528 2.488 20 0 GEADMP O[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681567 606894139 /nfs/dbraw/zinc/89/41/39/606894139.db2.gz GVTYPGXTTRUTFW-FXAWDEMLSA-N 2 1 384.528 2.488 20 0 GEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826330734 609338533 /nfs/dbraw/zinc/33/85/33/609338533.db2.gz GKQTWDWBULTSMS-AWEZNQCLSA-N 2 1 391.483 2.198 20 0 GEADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824624570 609406912 /nfs/dbraw/zinc/40/69/12/609406912.db2.gz AEXRDVFYJGNQIL-RDTXWAMCSA-N 2 1 396.470 2.423 20 0 GEADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824624563 609406992 /nfs/dbraw/zinc/40/69/92/609406992.db2.gz AEXRDVFYJGNQIL-KBXCAEBGSA-N 2 1 396.470 2.423 20 0 GEADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824624565 609406996 /nfs/dbraw/zinc/40/69/96/609406996.db2.gz AEXRDVFYJGNQIL-KDOFPFPSSA-N 2 1 396.470 2.423 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(SC)cc1 ZINC000508011758 650472403 /nfs/dbraw/zinc/47/24/03/650472403.db2.gz BVFWNLXGAMEVJI-MRXNPFEDSA-N 2 1 385.599 2.445 20 0 GEADMP C[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)[N@@H+]1CCc2sccc2C1 ZINC000481290014 650643866 /nfs/dbraw/zinc/64/38/66/650643866.db2.gz JBHRXOIRRNZFNT-RDTXWAMCSA-N 2 1 382.599 2.231 20 0 GEADMP C[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)[N@H+]1CCc2sccc2C1 ZINC000481290014 650643871 /nfs/dbraw/zinc/64/38/71/650643871.db2.gz JBHRXOIRRNZFNT-RDTXWAMCSA-N 2 1 382.599 2.231 20 0 GEADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000484756562 650689973 /nfs/dbraw/zinc/68/99/73/650689973.db2.gz NOTPWINQVPNEPT-RRCSTGOVSA-N 2 1 389.323 2.480 20 0 GEADMP CS[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000490860078 650780870 /nfs/dbraw/zinc/78/08/70/650780870.db2.gz QNHFOFORFUKHQY-AAVRWANBSA-N 2 1 381.508 2.399 20 0 GEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000107368125 643255294 /nfs/dbraw/zinc/25/52/94/643255294.db2.gz USKKXJRYRUVUHZ-ROUUACIJSA-N 2 1 382.346 2.194 20 0 GEADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ncc(Br)s1 ZINC000192420839 645204487 /nfs/dbraw/zinc/20/44/87/645204487.db2.gz MLRJKULQQMJXPL-UHFFFAOYSA-N 2 1 375.336 2.004 20 0 GEADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ncc(Br)s1 ZINC000192420839 645204489 /nfs/dbraw/zinc/20/44/89/645204489.db2.gz MLRJKULQQMJXPL-UHFFFAOYSA-N 2 1 375.336 2.004 20 0 GEADMP CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000261827933 645603869 /nfs/dbraw/zinc/60/38/69/645603869.db2.gz AEQIIDVNDLPACJ-OAHLLOKOSA-N 2 1 398.345 2.336 20 0 GEADMP CCOc1c(Br)cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000261827933 645603871 /nfs/dbraw/zinc/60/38/71/645603871.db2.gz AEQIIDVNDLPACJ-OAHLLOKOSA-N 2 1 398.345 2.336 20 0 GEADMP Brc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c2ncccc12 ZINC000261866078 645607092 /nfs/dbraw/zinc/60/70/92/645607092.db2.gz KTJUGGWCZDXXCR-OAHLLOKOSA-N 2 1 375.314 2.477 20 0 GEADMP C[C@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC[NH2+]1 ZINC000332122490 647413893 /nfs/dbraw/zinc/41/38/93/647413893.db2.gz AIIRVTDKEJSQBR-UONOGXRCSA-N 2 1 389.924 2.174 20 0 GEADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC(F)(F)C[NH3+] ZINC000418523099 648299712 /nfs/dbraw/zinc/29/97/12/648299712.db2.gz KIROLWWNIVMDJW-UHFFFAOYSA-N 2 1 393.276 2.116 20 0 GEADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423221876 648587913 /nfs/dbraw/zinc/58/79/13/648587913.db2.gz YNLMIBHGQSTIOQ-GMXVVIOVSA-N 2 1 390.347 2.135 20 0 GEADMP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)cc1F ZINC000423376640 648590223 /nfs/dbraw/zinc/59/02/23/648590223.db2.gz DWPSINCTFUTHAI-BXKDBHETSA-N 2 1 399.230 2.470 20 0 GEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423531187 648594547 /nfs/dbraw/zinc/59/45/47/648594547.db2.gz ZPKBSSJAJXKHOA-QZTJIDSGSA-N 2 1 382.346 2.410 20 0 GEADMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000442888401 648851991 /nfs/dbraw/zinc/85/19/91/648851991.db2.gz GMDWVRPDLCQAQD-SWLSCSKDSA-N 2 1 377.913 2.077 20 0 GEADMP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000560581244 651311764 /nfs/dbraw/zinc/31/17/64/651311764.db2.gz OQSJHGYTAYVWIT-BRWVUGGUSA-N 2 1 385.961 2.389 20 0 GEADMP Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603435803 651492163 /nfs/dbraw/zinc/49/21/63/651492163.db2.gz ZNHFOJWGKXQVPY-CHWSQXEVSA-N 2 1 387.265 2.254 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644528672 651552349 /nfs/dbraw/zinc/55/23/49/651552349.db2.gz LPZXADYRKILOBG-CQSZACIVSA-N 2 1 377.312 2.434 20 0 GEADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1c(Cl)cccc1Cl ZINC000566234977 651605756 /nfs/dbraw/zinc/60/57/56/651605756.db2.gz VHJCELSTNRLXQJ-AWEZNQCLSA-N 2 1 377.312 2.170 20 0 GEADMP CCc1nc(C[NH+]2CCC(CNC(=S)NCCC[NH+](C)C)CC2)cs1 ZINC000731942738 651639646 /nfs/dbraw/zinc/63/96/46/651639646.db2.gz BQZGCCZNPLVKNB-UHFFFAOYSA-N 2 1 383.631 2.333 20 0 GEADMP COc1ccc(Br)cc1C1([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000645973807 651672271 /nfs/dbraw/zinc/67/22/71/651672271.db2.gz OVPIAEICHHTPPZ-UHFFFAOYSA-N 2 1 396.329 2.201 20 0 GEADMP O=C(CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)N1CC[NH2+]CC1 ZINC000647989667 651768510 /nfs/dbraw/zinc/76/85/10/651768510.db2.gz VILQNXHSHXPIKG-GFCCVEGCSA-N 2 1 376.448 2.163 20 0 GEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000652349024 651916267 /nfs/dbraw/zinc/91/62/67/651916267.db2.gz ZGGCRSFRDPVDPM-CFVMTHIKSA-N 2 1 397.317 2.001 20 0 GEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000652349024 651916274 /nfs/dbraw/zinc/91/62/74/651916274.db2.gz ZGGCRSFRDPVDPM-CFVMTHIKSA-N 2 1 397.317 2.001 20 0 GEADMP [NH3+]CCCOC1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000573724291 651976437 /nfs/dbraw/zinc/97/64/37/651976437.db2.gz BKOOGWBMWPPUKS-QGZVFWFLSA-N 2 1 396.329 2.384 20 0 GEADMP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623085919 652224529 /nfs/dbraw/zinc/22/45/29/652224529.db2.gz NJKUSCASUDUJRD-GFCCVEGCSA-N 2 1 395.301 2.028 20 0 GEADMP O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1sc2c(c1Br)C[NH2+]C2 ZINC000659302188 652353486 /nfs/dbraw/zinc/35/34/86/652353486.db2.gz NJSZLJHFRQTOET-UHFFFAOYSA-N 2 1 379.283 2.407 20 0 GEADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000627000339 652410908 /nfs/dbraw/zinc/41/09/08/652410908.db2.gz OFVLAKFLCTWEEE-SUMWQHHRSA-N 2 1 395.345 2.463 20 0 GEADMP [NH3+][C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000662387669 652458771 /nfs/dbraw/zinc/45/87/71/652458771.db2.gz UYNUIYLRMWSOIG-QGZVFWFLSA-N 2 1 396.329 2.020 20 0 GEADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662487038 652463779 /nfs/dbraw/zinc/46/37/79/652463779.db2.gz PEESCRYSWJFNSE-YOEHRIQHSA-N 2 1 398.345 2.408 20 0 GEADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)N2CCc3sccc3C2)CC[C@@H]1C(F)(F)F ZINC000629562946 652493624 /nfs/dbraw/zinc/49/36/24/652493624.db2.gz ORJVSEDNMIPSJP-KBPBESRZSA-N 2 1 375.460 2.482 20 0 GEADMP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629581887 652493750 /nfs/dbraw/zinc/49/37/50/652493750.db2.gz JCDMSTVDYRDCIL-HOCLYGCPSA-N 2 1 380.330 2.449 20 0 GEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236612 652549479 /nfs/dbraw/zinc/54/94/79/652549479.db2.gz QTVKBJBZEAGQRS-CXAGYDPISA-N 2 1 391.313 2.122 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000666377251 652573974 /nfs/dbraw/zinc/57/39/74/652573974.db2.gz ODBKDWSENBPFHW-JTQLQIEISA-N 2 1 382.456 2.036 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000666377251 652573980 /nfs/dbraw/zinc/57/39/80/652573980.db2.gz ODBKDWSENBPFHW-JTQLQIEISA-N 2 1 382.456 2.036 20 0 GEADMP CC(C)(C)[C@@H](C[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595964564 652744281 /nfs/dbraw/zinc/74/42/81/652744281.db2.gz RXOIAVSLLHNDAQ-SECBINFHSA-N 2 1 393.294 2.059 20 0 GEADMP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000638448079 652889877 /nfs/dbraw/zinc/88/98/77/652889877.db2.gz RIZKVBWZPVQLRY-INIZCTEOSA-N 2 1 379.551 2.397 20 0 GEADMP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000638448079 652889880 /nfs/dbraw/zinc/88/98/80/652889880.db2.gz RIZKVBWZPVQLRY-INIZCTEOSA-N 2 1 379.551 2.397 20 0 GEADMP COc1nsc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1Br ZINC000638739324 652904781 /nfs/dbraw/zinc/90/47/81/652904781.db2.gz RRPQBFOYZCUIBU-UHFFFAOYSA-N 2 1 378.336 2.239 20 0 GEADMP Cc1c(Br)cccc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641117803 653158517 /nfs/dbraw/zinc/15/85/17/653158517.db2.gz ABCUSZDMPJOLNF-UHFFFAOYSA-N 2 1 378.318 2.363 20 0 GEADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C[C@H](C)O1 ZINC000876730654 653444770 /nfs/dbraw/zinc/44/47/70/653444770.db2.gz IWNGRQPAKOUPAE-JKIFEVAISA-N 2 1 398.345 2.455 20 0 GEADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876778131 653447114 /nfs/dbraw/zinc/44/71/14/653447114.db2.gz XGRBXNNQELYDPH-YOEHRIQHSA-N 2 1 398.320 2.477 20 0 GEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(Br)no2)[C@H](C)C1 ZINC000878448977 653637852 /nfs/dbraw/zinc/63/78/52/653637852.db2.gz XPJSCNJPNYFZIO-HZSPNIEDSA-N 2 1 390.322 2.197 20 0 GEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(Br)no2)[C@H](C)C1 ZINC000878448977 653637853 /nfs/dbraw/zinc/63/78/53/653637853.db2.gz XPJSCNJPNYFZIO-HZSPNIEDSA-N 2 1 390.322 2.197 20 0 GEADMP COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](C)CC1 ZINC000878492710 653638866 /nfs/dbraw/zinc/63/88/66/653638866.db2.gz QAQOAGMDXWTWCX-GFCCVEGCSA-N 2 1 384.318 2.319 20 0 GEADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000818997427 653740430 /nfs/dbraw/zinc/74/04/30/653740430.db2.gz AMQNMVDTMVHRDI-IRXDYDNUSA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000818997427 653740431 /nfs/dbraw/zinc/74/04/31/653740431.db2.gz AMQNMVDTMVHRDI-IRXDYDNUSA-N 2 1 398.345 2.015 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000820081125 653766391 /nfs/dbraw/zinc/76/63/91/653766391.db2.gz UOOKVROBADGPCN-LZWOXQAQSA-N 2 1 379.376 2.484 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000820081125 653766392 /nfs/dbraw/zinc/76/63/92/653766392.db2.gz UOOKVROBADGPCN-LZWOXQAQSA-N 2 1 379.376 2.484 20 0 GEADMP C[C@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1Cl ZINC000843063224 653778525 /nfs/dbraw/zinc/77/85/25/653778525.db2.gz XSWNIWBAZJAAAO-CJNGLKHVSA-N 2 1 391.737 2.356 20 0 GEADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000843116124 653779944 /nfs/dbraw/zinc/77/99/44/653779944.db2.gz WDNRWDYHFPJRHK-MAUKXSAKSA-N 2 1 394.313 2.127 20 0 GEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000846221734 653891871 /nfs/dbraw/zinc/89/18/71/653891871.db2.gz DLPASLFBVXXGCW-YXJHDRRASA-N 2 1 386.945 2.332 20 0 GEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000846221734 653891875 /nfs/dbraw/zinc/89/18/75/653891875.db2.gz DLPASLFBVXXGCW-YXJHDRRASA-N 2 1 386.945 2.332 20 0 GEADMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000849095409 654003824 /nfs/dbraw/zinc/00/38/24/654003824.db2.gz WRGBOXUCGGCVIQ-XJKSGUPXSA-N 2 1 399.308 2.280 20 0 GEADMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1ccc(Br)cc1 ZINC000849092962 654003841 /nfs/dbraw/zinc/00/38/41/654003841.db2.gz DCMCLGUQOSNZJP-AWEZNQCLSA-N 2 1 399.333 2.053 20 0 GEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000849102831 654004428 /nfs/dbraw/zinc/00/44/28/654004428.db2.gz BDHXICKEODROSH-RDJZCZTQSA-N 2 1 397.361 2.198 20 0 GEADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000853115612 654279574 /nfs/dbraw/zinc/27/95/74/654279574.db2.gz LHPGRJQTOREWLT-WMLDXEAASA-N 2 1 387.293 2.465 20 0 GEADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000904334144 654307705 /nfs/dbraw/zinc/30/77/05/654307705.db2.gz NCSNBNFHADEACT-TXEJJXNPSA-N 2 1 378.325 2.037 20 0 GEADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000872254810 654320017 /nfs/dbraw/zinc/32/00/17/654320017.db2.gz DGINLPCGDRWROC-KWCYVHTRSA-N 2 1 376.507 2.239 20 0 GEADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000872254810 654320019 /nfs/dbraw/zinc/32/00/19/654320019.db2.gz DGINLPCGDRWROC-KWCYVHTRSA-N 2 1 376.507 2.239 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)nc1C ZINC000804978801 654330492 /nfs/dbraw/zinc/33/04/92/654330492.db2.gz CUAVZWDWPIORCL-OAHLLOKOSA-N 2 1 388.965 2.080 20 0 GEADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3c(Br)cnn3C)C2)[C@@H]1C(C)C ZINC000922395401 654390011 /nfs/dbraw/zinc/39/00/11/654390011.db2.gz XFVMLOWZAPDDJL-MXASKKJJSA-N 2 1 385.350 2.142 20 0 GEADMP O=C([C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1)N1CC[NH2+]CC1 ZINC000923283275 654441626 /nfs/dbraw/zinc/44/16/26/654441626.db2.gz TUHCBLCFKSGVOZ-GUYCJALGSA-N 2 1 386.323 2.171 20 0 GEADMP Cn1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(I)n1 ZINC000894779980 654498373 /nfs/dbraw/zinc/49/83/73/654498373.db2.gz UFZHGTWSCWAAMM-CYBMUJFWSA-N 2 1 388.297 2.188 20 0 GEADMP Cn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(I)n1 ZINC000894779980 654498376 /nfs/dbraw/zinc/49/83/76/654498376.db2.gz UFZHGTWSCWAAMM-CYBMUJFWSA-N 2 1 388.297 2.188 20 0 GEADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3ncc(Br)cc32)C1 ZINC000924966881 654530055 /nfs/dbraw/zinc/53/00/55/654530055.db2.gz UYAABCPMOHYCOK-XJKSGUPXSA-N 2 1 395.345 2.399 20 0 GEADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3ncc(Br)cc32)C1 ZINC000924966881 654530057 /nfs/dbraw/zinc/53/00/57/654530057.db2.gz UYAABCPMOHYCOK-XJKSGUPXSA-N 2 1 395.345 2.399 20 0 GEADMP CN(C)C[C@@H](NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)c1ccc(Cl)cc1 ZINC000915342405 654868947 /nfs/dbraw/zinc/86/89/47/654868947.db2.gz TTYFYCANZIKEGU-MSOLQXFVSA-N 2 1 385.961 2.348 20 0 GEADMP C[NH+](C)C[C@@H](NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)c1ccc(Cl)cc1 ZINC000915342405 654868962 /nfs/dbraw/zinc/86/89/62/654868962.db2.gz TTYFYCANZIKEGU-MSOLQXFVSA-N 2 1 385.961 2.348 20 0 GEADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c2c1C ZINC001164390365 718824424 /nfs/dbraw/zinc/82/44/24/718824424.db2.gz OABCYQFMXGGZCY-HZPDHXFCSA-N 2 1 387.553 2.471 20 0 GEADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nccc(C3CC[NH2+]CC3)n1)CC2 ZINC001164652882 719313531 /nfs/dbraw/zinc/31/35/31/719313531.db2.gz SHQXDCFXKFEXDL-UHFFFAOYSA-N 2 1 383.544 2.345 20 0 GEADMP COC(=O)c1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ccc1Cl ZINC001164684757 719621169 /nfs/dbraw/zinc/62/11/69/719621169.db2.gz XIRHXPQFXBHZRC-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COC(=O)c1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ccc1Cl ZINC001164684757 719621174 /nfs/dbraw/zinc/62/11/74/719621174.db2.gz XIRHXPQFXBHZRC-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COc1cc2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c(OC)c1 ZINC001164683312 719625084 /nfs/dbraw/zinc/62/50/84/719625084.db2.gz RYIPTWRSCIWXNX-UHFFFAOYSA-N 2 1 396.495 2.319 20 0 GEADMP COc1cc2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c(OC)c1 ZINC001164683312 719625086 /nfs/dbraw/zinc/62/50/86/719625086.db2.gz RYIPTWRSCIWXNX-UHFFFAOYSA-N 2 1 396.495 2.319 20 0 GEADMP CSc1nc2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2s1 ZINC001164684898 719631576 /nfs/dbraw/zinc/63/15/76/719631576.db2.gz YPDWBXBYJXUIRP-UHFFFAOYSA-N 2 1 389.554 2.480 20 0 GEADMP CSc1nc2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2s1 ZINC001164684898 719631581 /nfs/dbraw/zinc/63/15/81/719631581.db2.gz YPDWBXBYJXUIRP-UHFFFAOYSA-N 2 1 389.554 2.480 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2ncc(C(=O)N(C)C)cc2Cl)c2c1CC[NH2+]C2 ZINC001164680134 719640362 /nfs/dbraw/zinc/64/03/62/719640362.db2.gz PKAMGJXBBDZIFN-UHFFFAOYSA-N 2 1 390.919 2.108 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(C(=O)N(C)C)cc2Cl)c2c1CC[NH2+]C2 ZINC001164680134 719640370 /nfs/dbraw/zinc/64/03/70/719640370.db2.gz PKAMGJXBBDZIFN-UHFFFAOYSA-N 2 1 390.919 2.108 20 0 GEADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001164816792 720151950 /nfs/dbraw/zinc/15/19/50/720151950.db2.gz MTTNXJRGCJSSDR-CVDCTZTESA-N 3 1 399.583 2.194 20 0 GEADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164816792 720151954 /nfs/dbraw/zinc/15/19/54/720151954.db2.gz MTTNXJRGCJSSDR-CVDCTZTESA-N 2 1 399.583 2.194 20 0 GEADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164816792 720151959 /nfs/dbraw/zinc/15/19/59/720151959.db2.gz MTTNXJRGCJSSDR-CVDCTZTESA-N 2 1 399.583 2.194 20 0 GEADMP Cn1nnc2c1CCN(c1ccc3c([nH+]1)CCCC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164717650 720177100 /nfs/dbraw/zinc/17/71/00/720177100.db2.gz LDDAWXSORKTPGK-FQEVSTJZSA-N 2 1 396.539 2.305 20 0 GEADMP c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)nn2)c1 ZINC001164726796 720466132 /nfs/dbraw/zinc/46/61/32/720466132.db2.gz MAFKKCUYRXPURF-WOJBJXKFSA-N 2 1 394.523 2.103 20 0 GEADMP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(N(C)C)[nH+]1 ZINC001164840027 720514390 /nfs/dbraw/zinc/51/43/90/720514390.db2.gz VUQODFLDXSGMKM-GBESFXJTSA-N 2 1 383.544 2.425 20 0 GEADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164840027 720514392 /nfs/dbraw/zinc/51/43/92/720514392.db2.gz VUQODFLDXSGMKM-GBESFXJTSA-N 2 1 383.544 2.425 20 0 GEADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164840027 720514397 /nfs/dbraw/zinc/51/43/97/720514397.db2.gz VUQODFLDXSGMKM-GBESFXJTSA-N 2 1 383.544 2.425 20 0 GEADMP c1ncn(C[C@@H]2C[C@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745472 720808658 /nfs/dbraw/zinc/80/86/58/720808658.db2.gz KOZRWLRGLBLHPX-YTQUADARSA-N 2 1 394.527 2.022 20 0 GEADMP c1ncn(C[C@@H]2C[C@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745472 720808660 /nfs/dbraw/zinc/80/86/60/720808660.db2.gz KOZRWLRGLBLHPX-YTQUADARSA-N 2 1 394.527 2.022 20 0 GEADMP Cc1cccc2cc[nH+]c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c12 ZINC001164754173 720966706 /nfs/dbraw/zinc/96/67/06/720966706.db2.gz OBXTUQMEWUTCIV-UHFFFAOYSA-N 2 1 379.464 2.385 20 0 GEADMP Cc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164762596 721081582 /nfs/dbraw/zinc/08/15/82/721081582.db2.gz FESBFXASQDADRT-RBUKOAKNSA-N 2 1 381.528 2.077 20 0 GEADMP FC1(F)CCN(c2ncnc3c2C[NH2+]C3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906007 721697111 /nfs/dbraw/zinc/69/71/11/721697111.db2.gz KVZWSCPSUWNECH-IBGZPJMESA-N 2 1 386.450 2.213 20 0 GEADMP FC1(F)CCN(c2ncnc3c2C[NH2+]C3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906007 721697114 /nfs/dbraw/zinc/69/71/14/721697114.db2.gz KVZWSCPSUWNECH-IBGZPJMESA-N 2 1 386.450 2.213 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C4C[NH2+]C4)ncn3)C[C@@H]21 ZINC001165019712 721832091 /nfs/dbraw/zinc/83/20/91/721832091.db2.gz BIDHMVHSFDEAGP-NBHGPNQESA-N 2 1 378.524 2.295 20 0 GEADMP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4C[NH2+]C5)CC3)C2)cc1 ZINC001164940856 721924618 /nfs/dbraw/zinc/92/46/18/721924618.db2.gz VFPXHHVXXPTYCD-UHFFFAOYSA-N 2 1 379.508 2.260 20 0 GEADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5c4C[NH2+]C5)CC3)C2)cc1 ZINC001164940856 721924622 /nfs/dbraw/zinc/92/46/22/721924622.db2.gz VFPXHHVXXPTYCD-UHFFFAOYSA-N 2 1 379.508 2.260 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164981853 722109210 /nfs/dbraw/zinc/10/92/10/722109210.db2.gz VJRHSOCBXPZHDI-IEBWSBKVSA-N 2 1 378.480 2.389 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164981853 722109212 /nfs/dbraw/zinc/10/92/12/722109212.db2.gz VJRHSOCBXPZHDI-IEBWSBKVSA-N 2 1 378.480 2.389 20 0 GEADMP c1cn(-c2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)cn1 ZINC001164983852 722149664 /nfs/dbraw/zinc/14/96/64/722149664.db2.gz VTPAKDKLEBLYSY-TZIWHRDSSA-N 2 1 390.491 2.390 20 0 GEADMP C[NH+](C)CCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000133894038 532244414 /nfs/dbraw/zinc/24/44/14/532244414.db2.gz JVNPETFCKMSYHQ-UHFFFAOYSA-N 2 1 383.334 2.274 20 0 GEADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000647522880 532375052 /nfs/dbraw/zinc/37/50/52/532375052.db2.gz PYEHBULBFJHWLY-HOTGVXAUSA-N 2 1 391.339 2.416 20 0 GEADMP O=C(NCC[N@@H+]1CCc2sccc2C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000557564444 532367561 /nfs/dbraw/zinc/36/75/61/532367561.db2.gz SDPCIRZRETVIMU-QGZVFWFLSA-N 2 1 379.595 2.440 20 0 GEADMP O=C(NCC[N@H+]1CCc2sccc2C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000557564444 532367569 /nfs/dbraw/zinc/36/75/69/532367569.db2.gz SDPCIRZRETVIMU-QGZVFWFLSA-N 2 1 379.595 2.440 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]Cc2cc3c(cc2Br)OCO3)CC1(C)C ZINC000282443500 532468291 /nfs/dbraw/zinc/46/82/91/532468291.db2.gz RZQPZKTZBXZNRB-UHFFFAOYSA-N 2 1 384.318 2.293 20 0 GEADMP Cc1cc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)sc1Br ZINC000469993545 532519016 /nfs/dbraw/zinc/51/90/16/532519016.db2.gz TXKZOQAZRIVMLY-ZDUSSCGKSA-N 2 1 386.359 2.463 20 0 GEADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000469850885 532514021 /nfs/dbraw/zinc/51/40/21/532514021.db2.gz GHFBKWVZDCGTIA-SUMWQHHRSA-N 2 1 396.329 2.235 20 0 GEADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000469850885 532514027 /nfs/dbraw/zinc/51/40/27/532514027.db2.gz GHFBKWVZDCGTIA-SUMWQHHRSA-N 2 1 396.329 2.235 20 0 GEADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000469850882 532514232 /nfs/dbraw/zinc/51/42/32/532514232.db2.gz GHFBKWVZDCGTIA-CXAGYDPISA-N 2 1 396.329 2.235 20 0 GEADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(O)ccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000469850882 532514235 /nfs/dbraw/zinc/51/42/35/532514235.db2.gz GHFBKWVZDCGTIA-CXAGYDPISA-N 2 1 396.329 2.235 20 0 GEADMP C[NH+]1CCC([NH+]2CCC(CCNS(=O)(=O)CCC(F)(F)F)CC2)CC1 ZINC000375191206 532541095 /nfs/dbraw/zinc/54/10/95/532541095.db2.gz HQRKMYISDLNCNS-UHFFFAOYSA-N 2 1 385.496 2.055 20 0 GEADMP Brc1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc2c1OCCCO2 ZINC000262158607 532586818 /nfs/dbraw/zinc/58/68/18/532586818.db2.gz SGXDSZNYZRTYDX-HNNXBMFYSA-N 2 1 396.329 2.090 20 0 GEADMP Brc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc2c1OCCCO2 ZINC000262158607 532586822 /nfs/dbraw/zinc/58/68/22/532586822.db2.gz SGXDSZNYZRTYDX-HNNXBMFYSA-N 2 1 396.329 2.090 20 0 GEADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000261753534 532578695 /nfs/dbraw/zinc/57/86/95/532578695.db2.gz VALBEMRIJZZCHE-CQSZACIVSA-N 2 1 391.313 2.284 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284750520 532616977 /nfs/dbraw/zinc/61/69/77/532616977.db2.gz LKXZGIXEPGJBBF-KRWDZBQOSA-N 2 1 381.318 2.049 20 0 GEADMP COCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000377585036 532662119 /nfs/dbraw/zinc/66/21/19/532662119.db2.gz UUDKIMJBLYSRGE-OAHLLOKOSA-N 2 1 385.961 2.450 20 0 GEADMP O=c1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nc2ccc(Br)cn12 ZINC000569206110 532692458 /nfs/dbraw/zinc/69/24/58/532692458.db2.gz CRYOZBQTSILKCG-BBRMVZONSA-N 2 1 391.313 2.421 20 0 GEADMP O=c1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nc2ccc(Br)cn12 ZINC000569206110 532692465 /nfs/dbraw/zinc/69/24/65/532692465.db2.gz CRYOZBQTSILKCG-BBRMVZONSA-N 2 1 391.313 2.421 20 0 GEADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1ccc(Cl)cc1Cl ZINC000580445305 532747532 /nfs/dbraw/zinc/74/75/32/532747532.db2.gz RPWHTTJZKBDBCU-GJZGRUSLSA-N 2 1 377.312 2.170 20 0 GEADMP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414755956 532834515 /nfs/dbraw/zinc/83/45/15/532834515.db2.gz ILGBWQXXYDYMME-ZIAGYGMSSA-N 2 1 380.330 2.393 20 0 GEADMP COc1cc(C[NH+]2CCC(O)(C[NH3+])CC2)cc(Br)c1OC(F)F ZINC000415145137 532838536 /nfs/dbraw/zinc/83/85/36/532838536.db2.gz VPANDLNJXYWQCF-UHFFFAOYSA-N 2 1 395.244 2.345 20 0 GEADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289627074 532861246 /nfs/dbraw/zinc/86/12/46/532861246.db2.gz WTNSURYOURIOEU-UHFFFAOYSA-N 2 1 394.361 2.460 20 0 GEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000423099184 532894039 /nfs/dbraw/zinc/89/40/39/532894039.db2.gz FDPOSZNIKGESBA-BXUZGUMPSA-N 2 1 387.265 2.207 20 0 GEADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000368416298 532932250 /nfs/dbraw/zinc/93/22/50/532932250.db2.gz JBSSYMLCYYZLSG-FMKPAKJESA-N 2 1 385.961 2.497 20 0 GEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000368416298 532932252 /nfs/dbraw/zinc/93/22/52/532932252.db2.gz JBSSYMLCYYZLSG-FMKPAKJESA-N 2 1 385.961 2.497 20 0 GEADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736510743 598915546 /nfs/dbraw/zinc/91/55/46/598915546.db2.gz INXGYDAZUQWQKI-MRXNPFEDSA-N 2 1 399.543 2.239 20 0 GEADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964002 599641919 /nfs/dbraw/zinc/64/19/19/599641919.db2.gz CEYPBVUFUWZNQS-INIZCTEOSA-N 2 1 383.500 2.003 20 0 GEADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c2cccs2)CC1 ZINC000821627374 606207034 /nfs/dbraw/zinc/20/70/34/606207034.db2.gz YSKQTRCIOXTIAL-OAHLLOKOSA-N 2 1 389.554 2.068 20 0 GEADMP O[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681568 606893919 /nfs/dbraw/zinc/89/39/19/606893919.db2.gz GVTYPGXTTRUTFW-PXNSSMCTSA-N 2 1 384.528 2.488 20 0 GEADMP O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681568 606893920 /nfs/dbraw/zinc/89/39/20/606893920.db2.gz GVTYPGXTTRUTFW-PXNSSMCTSA-N 2 1 384.528 2.488 20 0 GEADMP c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000826517663 608511765 /nfs/dbraw/zinc/51/17/65/608511765.db2.gz KWIQYGHMJKUIHR-QUCCMNQESA-N 2 1 382.512 2.477 20 0 GEADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[nH+]1 ZINC000826263059 609387218 /nfs/dbraw/zinc/38/72/18/609387218.db2.gz JRAAFBRTOQZYMB-KRWDZBQOSA-N 2 1 379.468 2.057 20 0 GEADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[nH+]1 ZINC000826263059 609387221 /nfs/dbraw/zinc/38/72/21/609387221.db2.gz JRAAFBRTOQZYMB-KRWDZBQOSA-N 2 1 379.468 2.057 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449127176 650032278 /nfs/dbraw/zinc/03/22/78/650032278.db2.gz OEERAHAOTKHCSG-HNNXBMFYSA-N 2 1 384.293 2.329 20 0 GEADMP CC[NH+](CC)CCOCC[NH2+]Cc1ncc(I)s1 ZINC000511988383 650543709 /nfs/dbraw/zinc/54/37/09/650543709.db2.gz JBOHTXAXLSUTAV-UHFFFAOYSA-N 2 1 383.299 2.196 20 0 GEADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000518514648 650605672 /nfs/dbraw/zinc/60/56/72/650605672.db2.gz FHPNYPSFGZPAPQ-XRNSZHNASA-N 2 1 377.798 2.243 20 0 GEADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000518514646 650605748 /nfs/dbraw/zinc/60/57/48/650605748.db2.gz FHPNYPSFGZPAPQ-PEXQALLHSA-N 2 1 377.798 2.243 20 0 GEADMP O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479689201 650608493 /nfs/dbraw/zinc/60/84/93/650608493.db2.gz QAKLBXMKDFCAIL-UHFFFAOYSA-N 2 1 389.924 2.175 20 0 GEADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000484756564 650690012 /nfs/dbraw/zinc/69/00/12/650690012.db2.gz NOTPWINQVPNEPT-XOUADPBQSA-N 2 1 389.323 2.480 20 0 GEADMP C[NH+](C)C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccc(Cl)c(Cl)c1 ZINC000530032973 650711204 /nfs/dbraw/zinc/71/12/04/650711204.db2.gz YFWNLLXZEPEOAX-DLBZAZTESA-N 2 1 385.339 2.102 20 0 GEADMP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240940 650719443 /nfs/dbraw/zinc/71/94/43/650719443.db2.gz NWDXXFGLJNZWBR-OAHLLOKOSA-N 2 1 385.961 2.450 20 0 GEADMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1Br ZINC000157413026 644134958 /nfs/dbraw/zinc/13/49/58/644134958.db2.gz LUVDLWLLPQGEDW-UHFFFAOYSA-N 2 1 397.361 2.353 20 0 GEADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CSc1n[nH]c(=S)s1 ZINC000176175120 644399154 /nfs/dbraw/zinc/39/91/54/644399154.db2.gz XQCAJJZFXPDQMD-LBPRGKRZSA-N 2 1 389.616 2.167 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CSc1n[nH]c(=S)s1 ZINC000176175120 644399163 /nfs/dbraw/zinc/39/91/63/644399163.db2.gz XQCAJJZFXPDQMD-LBPRGKRZSA-N 2 1 389.616 2.167 20 0 GEADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000179556955 644463618 /nfs/dbraw/zinc/46/36/18/644463618.db2.gz AQLCTZGOTQWPLQ-QWHCGFSZSA-N 2 1 380.432 2.431 20 0 GEADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@H+]1C ZINC000179556955 644463620 /nfs/dbraw/zinc/46/36/20/644463620.db2.gz AQLCTZGOTQWPLQ-QWHCGFSZSA-N 2 1 380.432 2.431 20 0 GEADMP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc(Br)c1OC(F)F ZINC000546565321 651002027 /nfs/dbraw/zinc/00/20/27/651002027.db2.gz PRDZUDYYJAPVIP-OAHLLOKOSA-N 2 1 395.244 2.215 20 0 GEADMP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc(Br)c1OC(F)F ZINC000546565321 651002029 /nfs/dbraw/zinc/00/20/29/651002029.db2.gz PRDZUDYYJAPVIP-OAHLLOKOSA-N 2 1 395.244 2.215 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000333094975 647460879 /nfs/dbraw/zinc/46/08/79/647460879.db2.gz CZVCAXWDGFHCRC-INIZCTEOSA-N 2 1 396.329 2.463 20 0 GEADMP C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414678365 648099286 /nfs/dbraw/zinc/09/92/86/648099286.db2.gz QKGLFQCPBGXFCR-LBPRGKRZSA-N 2 1 387.311 2.061 20 0 GEADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCOc3ccc(Br)cc3)C2)nn1 ZINC000420370189 648414498 /nfs/dbraw/zinc/41/44/98/648414498.db2.gz CJZDHICJAZXKQT-HNNXBMFYSA-N 2 1 380.290 2.215 20 0 GEADMP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423511847 648593641 /nfs/dbraw/zinc/59/36/41/648593641.db2.gz KIPKJOLDOKCGEQ-CZUORRHYSA-N 2 1 387.309 2.106 20 0 GEADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423531189 648594716 /nfs/dbraw/zinc/59/47/16/648594716.db2.gz ZPKBSSJAJXKHOA-ZWKOTPCHSA-N 2 1 382.346 2.410 20 0 GEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430931326 648770580 /nfs/dbraw/zinc/77/05/80/648770580.db2.gz ZKBJNTFABBZKLM-CABCVRRESA-N 2 1 398.345 2.346 20 0 GEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430931326 648770585 /nfs/dbraw/zinc/77/05/85/648770585.db2.gz ZKBJNTFABBZKLM-CABCVRRESA-N 2 1 398.345 2.346 20 0 GEADMP CC(C)[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000442877669 648851682 /nfs/dbraw/zinc/85/16/82/648851682.db2.gz RNDXILPVOVTFMK-UHFFFAOYSA-N 2 1 377.913 2.220 20 0 GEADMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000442888402 648852115 /nfs/dbraw/zinc/85/21/15/648852115.db2.gz GMDWVRPDLCQAQD-WFASDCNBSA-N 2 1 377.913 2.077 20 0 GEADMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@H](C)C1 ZINC000442888400 648852191 /nfs/dbraw/zinc/85/21/91/648852191.db2.gz GMDWVRPDLCQAQD-IUODEOHRSA-N 2 1 377.913 2.077 20 0 GEADMP CCc1[nH]nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1Br ZINC000555298268 651222194 /nfs/dbraw/zinc/22/21/94/651222194.db2.gz FNMZMWZZPALBDM-UHFFFAOYSA-N 2 1 393.289 2.134 20 0 GEADMP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000560581241 651311841 /nfs/dbraw/zinc/31/18/41/651311841.db2.gz OQSJHGYTAYVWIT-BBWFWOEESA-N 2 1 385.961 2.389 20 0 GEADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cccc(I)c1 ZINC000603435289 651492168 /nfs/dbraw/zinc/49/21/68/651492168.db2.gz XISLDMNNRBFKFQ-XDTLVQLUSA-N 2 1 387.265 2.334 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1(C)C ZINC000644639763 651560318 /nfs/dbraw/zinc/56/03/18/651560318.db2.gz YHVCPHJBPGOLBY-CQSZACIVSA-N 2 1 390.355 2.349 20 0 GEADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000565775718 651598508 /nfs/dbraw/zinc/59/85/08/651598508.db2.gz UDKPFLSEOBPSAF-WBVHZDCISA-N 2 1 382.302 2.216 20 0 GEADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)[nH+]c1 ZINC000568501880 651669987 /nfs/dbraw/zinc/66/99/87/651669987.db2.gz GVKMDFYRTHWBGI-MRXNPFEDSA-N 2 1 394.313 2.984 20 0 GEADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000647825557 651761791 /nfs/dbraw/zinc/76/17/91/651761791.db2.gz FPUZPUSQPITSPI-INIZCTEOSA-N 2 1 380.330 2.401 20 0 GEADMP O=S(=O)(NCC[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1Cl ZINC000572305066 651884235 /nfs/dbraw/zinc/88/42/35/651884235.db2.gz FEEMIEOODDLXOB-UHFFFAOYSA-N 2 1 389.924 2.221 20 0 GEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000652349023 651916377 /nfs/dbraw/zinc/91/63/77/651916377.db2.gz ZGGCRSFRDPVDPM-BPLDGKMQSA-N 2 1 397.317 2.001 20 0 GEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000652349023 651916386 /nfs/dbraw/zinc/91/63/86/651916386.db2.gz ZGGCRSFRDPVDPM-BPLDGKMQSA-N 2 1 397.317 2.001 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(Br)s1 ZINC000617505939 651955053 /nfs/dbraw/zinc/95/50/53/651955053.db2.gz VXKQQDUOOATCFZ-LBPRGKRZSA-N 2 1 376.364 2.441 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(Br)s1 ZINC000617505939 651955058 /nfs/dbraw/zinc/95/50/58/651955058.db2.gz VXKQQDUOOATCFZ-LBPRGKRZSA-N 2 1 376.364 2.441 20 0 GEADMP COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000617504745 651955154 /nfs/dbraw/zinc/95/51/54/651955154.db2.gz IJPDGDRBUOYSOX-ZDUSSCGKSA-N 2 1 386.334 2.460 20 0 GEADMP COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000617504745 651955159 /nfs/dbraw/zinc/95/51/59/651955159.db2.gz IJPDGDRBUOYSOX-ZDUSSCGKSA-N 2 1 386.334 2.460 20 0 GEADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3nnc(SC)s3)CC2)CC1 ZINC000573457776 651957719 /nfs/dbraw/zinc/95/77/19/651957719.db2.gz ZTSPDSVNMCNNJK-UHFFFAOYSA-N 2 1 383.587 2.073 20 0 GEADMP O=C(NCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000655697662 652008511 /nfs/dbraw/zinc/00/85/11/652008511.db2.gz RZSXDRGHKJYDGO-QGZVFWFLSA-N 2 1 396.329 2.022 20 0 GEADMP OC[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1cccc(Br)c1 ZINC000655759107 652010715 /nfs/dbraw/zinc/01/07/15/652010715.db2.gz IZBLGGIFNNGINJ-APWZRJJASA-N 2 1 397.357 2.443 20 0 GEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Br)nc2)CC1 ZINC000746512928 652111981 /nfs/dbraw/zinc/11/19/81/652111981.db2.gz IGOTVGCOUVTMCO-UHFFFAOYSA-N 2 1 376.258 2.243 20 0 GEADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000576587583 652130485 /nfs/dbraw/zinc/13/04/85/652130485.db2.gz LXSUWHVTLCZMGU-CABCVRRESA-N 2 1 397.317 2.001 20 0 GEADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)Nc1ccc(Br)cc1 ZINC000662153701 652449175 /nfs/dbraw/zinc/44/91/75/652449175.db2.gz SPVPTXSUCTZWRS-KRWDZBQOSA-N 2 1 396.329 2.309 20 0 GEADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)Nc1ccc(Br)cc1 ZINC000662153701 652449177 /nfs/dbraw/zinc/44/91/77/652449177.db2.gz SPVPTXSUCTZWRS-KRWDZBQOSA-N 2 1 396.329 2.309 20 0 GEADMP C[NH+](C)[C@]1(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)CCSC1 ZINC000662489205 652464147 /nfs/dbraw/zinc/46/41/47/652464147.db2.gz KGIVMBNMXCVOHY-AWEZNQCLSA-N 2 1 390.372 2.281 20 0 GEADMP C[NH+](C)CCCOC1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662490869 652464218 /nfs/dbraw/zinc/46/42/18/652464218.db2.gz LWICBLUFQZSKMG-QGZVFWFLSA-N 2 1 398.345 2.408 20 0 GEADMP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1ccc(Br)cc1 ZINC000663363345 652495093 /nfs/dbraw/zinc/49/50/93/652495093.db2.gz JTDJVMAGNJFMAS-IRXDYDNUSA-N 2 1 399.329 2.032 20 0 GEADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)CC12CCOCC2 ZINC000584053927 652507437 /nfs/dbraw/zinc/50/74/37/652507437.db2.gz QPQFZXRLXAAAID-AWEZNQCLSA-N 2 1 396.329 2.465 20 0 GEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000666217653 652569095 /nfs/dbraw/zinc/56/90/95/652569095.db2.gz KSWPGDOXSNDMNI-UHFFFAOYSA-N 2 1 390.347 2.059 20 0 GEADMP COc1nsc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1Br ZINC000638621301 652899307 /nfs/dbraw/zinc/89/93/07/652899307.db2.gz VYNBSWQSWRIEAG-NSHDSACASA-N 2 1 378.336 2.241 20 0 GEADMP CSc1ncc(Cl)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000601477216 653098773 /nfs/dbraw/zinc/09/87/73/653098773.db2.gz GOPCULOWXFATQZ-ZDUSSCGKSA-N 2 1 383.949 2.092 20 0 GEADMP CSc1ncc(Cl)c(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000601477216 653098780 /nfs/dbraw/zinc/09/87/80/653098780.db2.gz GOPCULOWXFATQZ-ZDUSSCGKSA-N 2 1 383.949 2.092 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000679319412 653144164 /nfs/dbraw/zinc/14/41/64/653144164.db2.gz YYPXJAJRYRYQGU-OAHLLOKOSA-N 2 1 390.355 2.302 20 0 GEADMP CCn1ncc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1Br ZINC000874153734 653272949 /nfs/dbraw/zinc/27/29/49/653272949.db2.gz AZSMOMQZMYHJTC-UHFFFAOYSA-N 2 1 393.289 2.065 20 0 GEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(Br)cnc2F)CC1 ZINC000858725235 653376124 /nfs/dbraw/zinc/37/61/24/653376124.db2.gz MBBPAIRNTQJCDT-UHFFFAOYSA-N 2 1 394.248 2.382 20 0 GEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843072527 653778809 /nfs/dbraw/zinc/77/88/09/653778809.db2.gz IKJBVTADHDINSZ-RHSMWYFYSA-N 2 1 389.309 2.448 20 0 GEADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)C2 ZINC000843111503 653779708 /nfs/dbraw/zinc/77/97/08/653779708.db2.gz FLTOLUOHWDNUKO-FZKQIMNGSA-N 2 1 394.313 2.127 20 0 GEADMP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707707 653813217 /nfs/dbraw/zinc/81/32/17/653813217.db2.gz BHNNEHISUYWJKH-RKLWJJNISA-N 2 1 380.286 2.377 20 0 GEADMP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707707 653813222 /nfs/dbraw/zinc/81/32/22/653813222.db2.gz BHNNEHISUYWJKH-RKLWJJNISA-N 2 1 380.286 2.377 20 0 GEADMP [NH3+][C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1cccc(Br)c1 ZINC000867961446 654011087 /nfs/dbraw/zinc/01/10/87/654011087.db2.gz WUIBANLOSVGXMR-QGZVFWFLSA-N 2 1 396.329 2.020 20 0 GEADMP OCC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725561 654281499 /nfs/dbraw/zinc/28/14/99/654281499.db2.gz CXCZXHOCVXIXDZ-DOTOQJQBSA-N 2 1 387.293 2.151 20 0 GEADMP OCC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725561 654281506 /nfs/dbraw/zinc/28/15/06/654281506.db2.gz CXCZXHOCVXIXDZ-DOTOQJQBSA-N 2 1 387.293 2.151 20 0 GEADMP COC[C@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000903937227 654292336 /nfs/dbraw/zinc/29/23/36/654292336.db2.gz FJVDAQHWAFUGHD-WBVHZDCISA-N 2 1 394.317 2.442 20 0 GEADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cccc(F)c3Br)nn2)CC1 ZINC000905832315 654383000 /nfs/dbraw/zinc/38/30/00/654383000.db2.gz DEJYPLQGLHRFJF-UHFFFAOYSA-N 2 1 382.281 2.194 20 0 GEADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C)nc3Br)C2)[C@H]1C(C)C ZINC000922391866 654389186 /nfs/dbraw/zinc/38/91/86/654389186.db2.gz BNEQIYKUJPYOCM-KCYZZUKISA-N 2 1 385.350 2.142 20 0 GEADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Br)nn3C)C2)[C@H]1C(C)C ZINC000922394709 654389652 /nfs/dbraw/zinc/38/96/52/654389652.db2.gz RPFHLHWXHAGEGS-MUIFIZLQSA-N 2 1 385.350 2.142 20 0 GEADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3c(Br)cnn3C)C2)[C@H]1C(C)C ZINC000922395399 654390031 /nfs/dbraw/zinc/39/00/31/654390031.db2.gz XFVMLOWZAPDDJL-DZUCGIPZSA-N 2 1 385.350 2.142 20 0 GEADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515597 654458541 /nfs/dbraw/zinc/45/85/41/654458541.db2.gz IICBZGCCSRHQCJ-SCRDCRAPSA-N 2 1 389.721 2.384 20 0 GEADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCN3CC[NH2+]C[C@@H]3C2)n1 ZINC001164404392 718839803 /nfs/dbraw/zinc/83/98/03/718839803.db2.gz MICHOGAVCFCUTK-MRXNPFEDSA-N 2 1 388.585 2.244 20 0 GEADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCOCC23C[NH2+]C3)n1 ZINC001164407081 718860854 /nfs/dbraw/zinc/86/08/54/718860854.db2.gz WKNJNGYOHPKNEC-UHFFFAOYSA-N 2 1 375.542 2.329 20 0 GEADMP c1ccc(C[N@H+]2CCc3nc(N4CCO[C@@H]5C[NH2+]CC[C@H]5C4)ccc3C2)cc1 ZINC001164402650 718862050 /nfs/dbraw/zinc/86/20/50/718862050.db2.gz KESYTGDUIBTBNA-RBBKRZOGSA-N 2 1 378.520 2.455 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2cc(C(=O)NC(C)(C)C)ccn2)c2c1CC[NH2+]C2 ZINC001164681152 719632482 /nfs/dbraw/zinc/63/24/82/719632482.db2.gz BVTYKUSIVIUSST-UHFFFAOYSA-N 2 1 384.528 2.282 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(C(=O)NC(C)(C)C)ccn2)c2c1CC[NH2+]C2 ZINC001164681152 719632484 /nfs/dbraw/zinc/63/24/84/719632484.db2.gz BVTYKUSIVIUSST-UHFFFAOYSA-N 2 1 384.528 2.282 20 0 GEADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164814342 720137548 /nfs/dbraw/zinc/13/75/48/720137548.db2.gz RUBRXAYRTVUXFO-REWPJTCUSA-N 2 1 399.583 2.018 20 0 GEADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164844848 720679782 /nfs/dbraw/zinc/67/97/82/720679782.db2.gz VNIKKTKBFSJUFY-SFHVURJKSA-N 2 1 379.508 2.340 20 0 GEADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164844848 720679791 /nfs/dbraw/zinc/67/97/91/720679791.db2.gz VNIKKTKBFSJUFY-SFHVURJKSA-N 2 1 379.508 2.340 20 0 GEADMP CN(C)c1cccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164752592 720813858 /nfs/dbraw/zinc/81/38/58/720813858.db2.gz ZHCJFADWIIXHPP-IPMKNSEASA-N 2 1 381.528 2.119 20 0 GEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc(N3CCC([NH3+])CC3)n1)[C@@H]2C ZINC001164860675 720980371 /nfs/dbraw/zinc/98/03/71/720980371.db2.gz PIGGHVGWDHWXII-MRXNPFEDSA-N 2 1 398.559 2.022 20 0 GEADMP Cc1nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164762601 721081453 /nfs/dbraw/zinc/08/14/53/721081453.db2.gz FESBFXASQDADRT-RTBURBONSA-N 2 1 381.528 2.077 20 0 GEADMP c1cn(-c2cc[nH+]c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)cn1 ZINC001164877589 721169194 /nfs/dbraw/zinc/16/91/94/721169194.db2.gz OWYOKHDGDNHUPC-PMACEKPBSA-N 2 1 376.464 2.142 20 0 GEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)nc5c4CC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164772318 721186119 /nfs/dbraw/zinc/18/61/19/721186119.db2.gz SBCOOUUOUVFJPA-CVEARBPZSA-N 2 1 386.931 2.073 20 0 GEADMP Clc1cc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164785468 721422998 /nfs/dbraw/zinc/42/29/98/721422998.db2.gz MQLBIAGLCZDESI-CHWSQXEVSA-N 2 1 375.929 2.405 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CC[NH2+]C4)C[C@H]21 ZINC001165017906 721805850 /nfs/dbraw/zinc/80/58/50/721805850.db2.gz BCLYMMLMMBRJNE-LDQXTDLNSA-N 2 1 378.524 2.254 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C4C[NH2+]C4)ncn3)C[C@H]21 ZINC001165019707 721832265 /nfs/dbraw/zinc/83/22/65/721832265.db2.gz BIDHMVHSFDEAGP-LDQXTDLNSA-N 2 1 378.524 2.295 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C4C[NH2+]C4)ncn3)C[C@@H]21 ZINC001165019710 721832331 /nfs/dbraw/zinc/83/23/31/721832331.db2.gz BIDHMVHSFDEAGP-LKUPVBHCSA-N 2 1 378.524 2.295 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164981850 722109080 /nfs/dbraw/zinc/10/90/80/722109080.db2.gz VJRHSOCBXPZHDI-HKUYNNGSSA-N 2 1 378.480 2.389 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164981850 722109083 /nfs/dbraw/zinc/10/90/83/722109083.db2.gz VJRHSOCBXPZHDI-HKUYNNGSSA-N 2 1 378.480 2.389 20 0 GEADMP C[NH+](C)Cc1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164977996 722149413 /nfs/dbraw/zinc/14/94/13/722149413.db2.gz JCJPSZCSRIJOKL-LEWJYISDSA-N 2 1 381.524 2.266 20 0 GEADMP Cc1nc(N2CCCC2)cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)[nH+]1 ZINC001164999916 722251112 /nfs/dbraw/zinc/25/11/12/722251112.db2.gz JCMKCBFMPMJVCB-UHFFFAOYSA-N 2 1 399.543 2.070 20 0 GEADMP COc1ccc(Br)c(C(=O)NCCC[NH2+]C2CC[NH+](C)CC2)c1 ZINC000177320567 532168384 /nfs/dbraw/zinc/16/83/84/532168384.db2.gz LASCTFUAIXIGCF-UHFFFAOYSA-N 2 1 384.318 2.261 20 0 GEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000185212925 532337185 /nfs/dbraw/zinc/33/71/85/532337185.db2.gz AWLGILPUERHPFK-AWEZNQCLSA-N 2 1 380.286 2.440 20 0 GEADMP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000295370942 532440258 /nfs/dbraw/zinc/44/02/58/532440258.db2.gz JTNLSDJPOUBYQF-ZDUSSCGKSA-N 2 1 396.329 2.314 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429401703 532475144 /nfs/dbraw/zinc/47/51/44/532475144.db2.gz BAARGQWSHYRSHW-MRXNPFEDSA-N 2 1 385.346 2.301 20 0 GEADMP Cc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000470009549 532518957 /nfs/dbraw/zinc/51/89/57/532518957.db2.gz PSKNYBPKKWLQFA-INIZCTEOSA-N 2 1 380.330 2.401 20 0 GEADMP O=C([C@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1)N1CC[NH2+]CC1 ZINC000469995147 532518181 /nfs/dbraw/zinc/51/81/81/532518181.db2.gz WRFPYYOILCTTDR-ZDUSSCGKSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1)N1CC[NH2+]CC1 ZINC000469995147 532518185 /nfs/dbraw/zinc/51/81/85/532518185.db2.gz WRFPYYOILCTTDR-ZDUSSCGKSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1)N1CC[NH2+]CC1 ZINC000430599362 532501950 /nfs/dbraw/zinc/50/19/50/532501950.db2.gz AOMGDODAYMQOBK-AWEZNQCLSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1)N1CC[NH2+]CC1 ZINC000430599362 532501959 /nfs/dbraw/zinc/50/19/59/532501959.db2.gz AOMGDODAYMQOBK-AWEZNQCLSA-N 2 1 384.293 2.232 20 0 GEADMP O=C(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000565949578 532586082 /nfs/dbraw/zinc/58/60/82/532586082.db2.gz ZVCCFNJVXSZFCR-QGZVFWFLSA-N 2 1 386.323 2.453 20 0 GEADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCOc1ccc(Br)cc1 ZINC000436057130 532625364 /nfs/dbraw/zinc/62/53/64/532625364.db2.gz UZGGBWRHKVUDHJ-OAHLLOKOSA-N 2 1 384.318 2.147 20 0 GEADMP C[NH+](C)CCOCC[NH2+]Cc1c(Br)cncc1Br ZINC000394550660 532710576 /nfs/dbraw/zinc/71/05/76/532710576.db2.gz DXKHIXQFPQOJCY-UHFFFAOYSA-N 2 1 381.112 2.274 20 0 GEADMP CN(CC[N@@H+](C)C[C@H](O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000271601648 532809863 /nfs/dbraw/zinc/80/98/63/532809863.db2.gz AUFJSQSKCXPTGI-SFHVURJKSA-N 2 1 384.362 2.440 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000414750042 532834592 /nfs/dbraw/zinc/83/45/92/532834592.db2.gz QKHQQVZPNNOHLV-PBHICJAKSA-N 2 1 396.329 2.020 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000414750042 532834595 /nfs/dbraw/zinc/83/45/95/532834595.db2.gz QKHQQVZPNNOHLV-PBHICJAKSA-N 2 1 396.329 2.020 20 0 GEADMP C[C@@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000414726846 532834946 /nfs/dbraw/zinc/83/49/46/532834946.db2.gz AOBVGCNSFPJBQA-CHWSQXEVSA-N 2 1 377.963 2.096 20 0 GEADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736510742 598915476 /nfs/dbraw/zinc/91/54/76/598915476.db2.gz INXGYDAZUQWQKI-INIZCTEOSA-N 2 1 399.543 2.239 20 0 GEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821188945 599330087 /nfs/dbraw/zinc/33/00/87/599330087.db2.gz HGVUPQJDJNYBKF-INIZCTEOSA-N 2 1 395.515 2.055 20 0 GEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821188945 599330090 /nfs/dbraw/zinc/33/00/90/599330090.db2.gz HGVUPQJDJNYBKF-INIZCTEOSA-N 2 1 395.515 2.055 20 0 GEADMP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000737547183 599360055 /nfs/dbraw/zinc/36/00/55/599360055.db2.gz HXODZAOHRGRUTF-ZDUSSCGKSA-N 2 1 389.504 2.067 20 0 GEADMP CC1=C(C(=O)[O-])C[C@H](C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)O1 ZINC000833576175 605349508 /nfs/dbraw/zinc/34/95/08/605349508.db2.gz HKYFTERTSNCZKU-LJQANCHMSA-N 2 1 379.545 2.262 20 0 GEADMP CC1=C(C(=O)[O-])C[C@H](C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)O1 ZINC000833576175 605349515 /nfs/dbraw/zinc/34/95/15/605349515.db2.gz HKYFTERTSNCZKU-LJQANCHMSA-N 2 1 379.545 2.262 20 0 GEADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681458 606843655 /nfs/dbraw/zinc/84/36/55/606843655.db2.gz DMJDCBOGVRQNGX-HXUWFJFHSA-N 2 1 378.480 2.154 20 0 GEADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703475 606899117 /nfs/dbraw/zinc/89/91/17/606899117.db2.gz FZPCJFOEUJJNKE-UWVAXJGDSA-N 2 1 384.528 2.487 20 0 GEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703475 606899118 /nfs/dbraw/zinc/89/91/18/606899118.db2.gz FZPCJFOEUJJNKE-UWVAXJGDSA-N 2 1 384.528 2.487 20 0 GEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703475 606899119 /nfs/dbraw/zinc/89/91/19/606899119.db2.gz FZPCJFOEUJJNKE-UWVAXJGDSA-N 2 1 384.528 2.487 20 0 GEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703475 606899120 /nfs/dbraw/zinc/89/91/20/606899120.db2.gz FZPCJFOEUJJNKE-UWVAXJGDSA-N 2 1 384.528 2.487 20 0 GEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)CC1 ZINC000826021615 607889668 /nfs/dbraw/zinc/88/96/68/607889668.db2.gz ALAYQMNBDWTHLV-IBGZPJMESA-N 2 1 392.511 2.351 20 0 GEADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824624980 609407010 /nfs/dbraw/zinc/40/70/10/609407010.db2.gz CZNYADSWZLVUOK-RDTXWAMCSA-N 2 1 396.470 2.423 20 0 GEADMP O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](CCC2CC[NH2+]CC2)CC1 ZINC000479675261 650608248 /nfs/dbraw/zinc/60/82/48/650608248.db2.gz QXIRHFLSDUZTLR-UHFFFAOYSA-N 2 1 391.990 2.488 20 0 GEADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000493960293 650799713 /nfs/dbraw/zinc/79/97/13/650799713.db2.gz LDNGTILLJAJYBH-INIZCTEOSA-N 2 1 380.330 2.499 20 0 GEADMP CC[NH+]1CCN(c2ccc(CNc3cc[nH+]cc3Br)cn2)CC1 ZINC000547503321 651029136 /nfs/dbraw/zinc/02/91/36/651029136.db2.gz JHGSSYPNJRXXMZ-UHFFFAOYSA-N 2 1 376.302 2.415 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc2c(c(Br)c1)OCO2 ZINC000272594516 646280197 /nfs/dbraw/zinc/28/01/97/646280197.db2.gz XQAOPTVRCGBJAT-UHFFFAOYSA-N 2 1 384.318 2.247 20 0 GEADMP C[N@H+]1CC[C@H](CNS(=O)(=O)CC[NH+]2CCCC2)[C@@H]1c1cccc(Cl)c1 ZINC000365110179 647659481 /nfs/dbraw/zinc/65/94/81/647659481.db2.gz LINHYDRZWBTNDI-AEFFLSMTSA-N 2 1 385.961 2.348 20 0 GEADMP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)s1 ZINC000423386938 648590622 /nfs/dbraw/zinc/59/06/22/648590622.db2.gz LSZWRXHGVAYMIF-IUCAKERBSA-N 2 1 387.269 2.392 20 0 GEADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022486 648743056 /nfs/dbraw/zinc/74/30/56/648743056.db2.gz SLJVWSHGAAKZPE-NVXWUHKLSA-N 2 1 387.293 2.356 20 0 GEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022486 648743060 /nfs/dbraw/zinc/74/30/60/648743060.db2.gz SLJVWSHGAAKZPE-NVXWUHKLSA-N 2 1 387.293 2.356 20 0 GEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022486 648743065 /nfs/dbraw/zinc/74/30/65/648743065.db2.gz SLJVWSHGAAKZPE-NVXWUHKLSA-N 2 1 387.293 2.356 20 0 GEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022486 648743071 /nfs/dbraw/zinc/74/30/71/648743071.db2.gz SLJVWSHGAAKZPE-NVXWUHKLSA-N 2 1 387.293 2.356 20 0 GEADMP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056578 648858491 /nfs/dbraw/zinc/85/84/91/648858491.db2.gz DACMLLJPEKJICE-HNNXBMFYSA-N 2 1 398.345 2.347 20 0 GEADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000555537734 651228078 /nfs/dbraw/zinc/22/80/78/651228078.db2.gz VCKIGELBDUFSDL-HZPDHXFCSA-N 2 1 394.357 2.483 20 0 GEADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)C1 ZINC000734487200 651746485 /nfs/dbraw/zinc/74/64/85/651746485.db2.gz MYQKZBLOEHLLPW-ROUUACIJSA-N 2 1 382.346 2.194 20 0 GEADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)C1 ZINC000734487200 651746489 /nfs/dbraw/zinc/74/64/89/651746489.db2.gz MYQKZBLOEHLLPW-ROUUACIJSA-N 2 1 382.346 2.194 20 0 GEADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(Br)ccc1OC(F)F ZINC000647492392 651748443 /nfs/dbraw/zinc/74/84/43/651748443.db2.gz FFSFIWAZJQEYKM-UHFFFAOYSA-N 2 1 378.261 2.388 20 0 GEADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(Br)ccc1OC(F)F ZINC000647492392 651748448 /nfs/dbraw/zinc/74/84/48/651748448.db2.gz FFSFIWAZJQEYKM-UHFFFAOYSA-N 2 1 378.261 2.388 20 0 GEADMP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000647835381 651762169 /nfs/dbraw/zinc/76/21/69/651762169.db2.gz WNTRSKYVOVXKRM-KBPBESRZSA-N 2 1 387.355 2.396 20 0 GEADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000647835381 651762171 /nfs/dbraw/zinc/76/21/71/651762171.db2.gz WNTRSKYVOVXKRM-KBPBESRZSA-N 2 1 387.355 2.396 20 0 GEADMP Cc1nc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Br)s1 ZINC000617507919 651955678 /nfs/dbraw/zinc/95/56/78/651955678.db2.gz OQXCOAXICVSJEM-JTQLQIEISA-N 2 1 377.352 2.216 20 0 GEADMP Cc1nc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Br)s1 ZINC000617507919 651955683 /nfs/dbraw/zinc/95/56/83/651955683.db2.gz OQXCOAXICVSJEM-JTQLQIEISA-N 2 1 377.352 2.216 20 0 GEADMP OC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1cccc(Br)c1 ZINC000655759110 652010636 /nfs/dbraw/zinc/01/06/36/652010636.db2.gz IZBLGGIFNNGINJ-QFBILLFUSA-N 2 1 397.357 2.443 20 0 GEADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000574642849 652033695 /nfs/dbraw/zinc/03/36/95/652033695.db2.gz FOCYMAVLZUQVKB-LSDHHAIUSA-N 2 1 386.334 2.090 20 0 GEADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000574642849 652033702 /nfs/dbraw/zinc/03/37/02/652033702.db2.gz FOCYMAVLZUQVKB-LSDHHAIUSA-N 2 1 386.334 2.090 20 0 GEADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H](C)CC(F)(F)F ZINC000656890346 652062810 /nfs/dbraw/zinc/06/28/10/652062810.db2.gz GZWMDMPDLPRKJA-CABCVRRESA-N 2 1 387.512 2.253 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H](C)CC(F)(F)F ZINC000656890346 652062816 /nfs/dbraw/zinc/06/28/16/652062816.db2.gz GZWMDMPDLPRKJA-CABCVRRESA-N 2 1 387.512 2.253 20 0 GEADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000576587585 652130186 /nfs/dbraw/zinc/13/01/86/652130186.db2.gz LXSUWHVTLCZMGU-GJZGRUSLSA-N 2 1 397.317 2.001 20 0 GEADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000576587587 652130267 /nfs/dbraw/zinc/13/02/67/652130267.db2.gz LXSUWHVTLCZMGU-LSDHHAIUSA-N 2 1 397.317 2.001 20 0 GEADMP O=C(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Br)cc1 ZINC000576934985 652155943 /nfs/dbraw/zinc/15/59/43/652155943.db2.gz ZGRFLIVOOJFJBF-ARFHVFGLSA-N 2 1 382.302 2.134 20 0 GEADMP C[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CC1(C)C ZINC000623514258 652244229 /nfs/dbraw/zinc/24/42/29/652244229.db2.gz GCJFENRMCXGCCJ-CYBMUJFWSA-N 2 1 377.913 2.220 20 0 GEADMP C[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CC1(C)C ZINC000623514258 652244237 /nfs/dbraw/zinc/24/42/37/652244237.db2.gz GCJFENRMCXGCCJ-CYBMUJFWSA-N 2 1 377.913 2.220 20 0 GEADMP C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000626040197 652380518 /nfs/dbraw/zinc/38/05/18/652380518.db2.gz ZAIGZFTWJMQJEA-GOEBONIOSA-N 2 1 380.330 2.401 20 0 GEADMP C[NH+](C)Cc1ccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1Br ZINC000582545127 652454650 /nfs/dbraw/zinc/45/46/50/652454650.db2.gz OJHSNZHFVHTNIB-AGUYFDCRSA-N 2 1 394.313 2.264 20 0 GEADMP [NH3+][C@@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1Br ZINC000662583504 652468832 /nfs/dbraw/zinc/46/88/32/652468832.db2.gz VAJOMFJWFCIYPZ-UWWPHRKUSA-N 2 1 396.329 2.194 20 0 GEADMP C[NH2+][C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000662748350 652472898 /nfs/dbraw/zinc/47/28/98/652472898.db2.gz QNXZRZJTBPSTCD-QGZVFWFLSA-N 2 1 387.355 2.396 20 0 GEADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)CC12CCOCC2 ZINC000584053928 652507545 /nfs/dbraw/zinc/50/75/45/652507545.db2.gz QPQFZXRLXAAAID-CQSZACIVSA-N 2 1 396.329 2.465 20 0 GEADMP [NH3+]C/C=C/CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000669534012 652705150 /nfs/dbraw/zinc/70/51/50/652705150.db2.gz ZWFVPKFZMCJHMQ-OWOJBTEDSA-N 2 1 381.318 2.228 20 0 GEADMP CC(C)(C)[C@H](C[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595964565 652744072 /nfs/dbraw/zinc/74/40/72/652744072.db2.gz RXOIAVSLLHNDAQ-VIFPVBQESA-N 2 1 393.294 2.059 20 0 GEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000671098966 652778714 /nfs/dbraw/zinc/77/87/14/652778714.db2.gz WDLLXPOFXOPJBB-INIZCTEOSA-N 2 1 399.377 2.007 20 0 GEADMP COc1nsc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1Br ZINC000638621300 652899091 /nfs/dbraw/zinc/89/90/91/652899091.db2.gz VYNBSWQSWRIEAG-LLVKDONJSA-N 2 1 378.336 2.241 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639551395 652940903 /nfs/dbraw/zinc/94/09/03/652940903.db2.gz NETPQWLXRWUBFR-KRWDZBQOSA-N 2 1 390.355 2.302 20 0 GEADMP [NH3+]C1CC[NH+](CCc2cn(Cc3c(F)cccc3Br)nn2)CC1 ZINC000641131763 653160915 /nfs/dbraw/zinc/16/09/15/653160915.db2.gz SWYFZZAYGYDENY-UHFFFAOYSA-N 2 1 382.281 2.194 20 0 GEADMP Cn1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(Br)n1 ZINC000858086836 653347162 /nfs/dbraw/zinc/34/71/62/653347162.db2.gz OGYJUVWKWJPDRT-AWEZNQCLSA-N 2 1 398.374 2.322 20 0 GEADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876894444 653452764 /nfs/dbraw/zinc/45/27/64/653452764.db2.gz VPTALVADXBSBGE-PKIAMQTDSA-N 2 1 375.822 2.428 20 0 GEADMP COC(=O)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1Br ZINC000877526260 653610867 /nfs/dbraw/zinc/61/08/67/653610867.db2.gz HPGQJWGSTLNORL-UHFFFAOYSA-N 2 1 398.345 2.305 20 0 GEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(Br)no2)[C@@H](C)C1 ZINC000878448978 653637744 /nfs/dbraw/zinc/63/77/44/653637744.db2.gz XPJSCNJPNYFZIO-IHRRRGAJSA-N 2 1 390.322 2.197 20 0 GEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(Br)no2)[C@@H](C)C1 ZINC000878448978 653637748 /nfs/dbraw/zinc/63/77/48/653637748.db2.gz XPJSCNJPNYFZIO-IHRRRGAJSA-N 2 1 390.322 2.197 20 0 GEADMP Cn1nc(Br)cc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000785411903 653708861 /nfs/dbraw/zinc/70/88/61/653708861.db2.gz XOMJSFRZOBXQON-AWEZNQCLSA-N 2 1 398.374 2.322 20 0 GEADMP Cn1nc(Br)cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000785512642 653711055 /nfs/dbraw/zinc/71/10/55/653711055.db2.gz AZAMPOABLRPVEE-MRXNPFEDSA-N 2 1 379.302 2.039 20 0 GEADMP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ncc1F ZINC000817972104 653723018 /nfs/dbraw/zinc/72/30/18/653723018.db2.gz JRYLIGWLZMTGBE-BXKDBHETSA-N 2 1 399.230 2.470 20 0 GEADMP O=C(CC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000843358801 653785722 /nfs/dbraw/zinc/78/57/22/653785722.db2.gz PRGUQGPNEYGORE-QGZVFWFLSA-N 2 1 380.330 2.278 20 0 GEADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884217264 653868306 /nfs/dbraw/zinc/86/83/06/653868306.db2.gz JZTBTPNNBRZRCN-MRXNPFEDSA-N 2 1 398.345 2.455 20 0 GEADMP O=c1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)nc2ccc(Br)cn12 ZINC000886865477 654005849 /nfs/dbraw/zinc/00/58/49/654005849.db2.gz LJQYRYKMXWKZOS-SFHVURJKSA-N 2 1 391.313 2.423 20 0 GEADMP O=c1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)nc2ccc(Br)cn12 ZINC000886865477 654005853 /nfs/dbraw/zinc/00/58/53/654005853.db2.gz LJQYRYKMXWKZOS-SFHVURJKSA-N 2 1 391.313 2.423 20 0 GEADMP Cc1cccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1Br ZINC000900608133 654072628 /nfs/dbraw/zinc/07/26/28/654072628.db2.gz SCHLTYJPXZNYIG-UHFFFAOYSA-N 2 1 378.318 2.363 20 0 GEADMP [NH3+][C@@H](C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccccc1Br ZINC000852875586 654264918 /nfs/dbraw/zinc/26/49/18/654264918.db2.gz KJIMNVHLTNEKSU-OAHLLOKOSA-N 2 1 378.274 2.209 20 0 GEADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000853115608 654279631 /nfs/dbraw/zinc/27/96/31/654279631.db2.gz LHPGRJQTOREWLT-PBHICJAKSA-N 2 1 387.293 2.465 20 0 GEADMP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000853115614 654280084 /nfs/dbraw/zinc/28/00/84/654280084.db2.gz LHPGRJQTOREWLT-YOEHRIQHSA-N 2 1 387.293 2.465 20 0 GEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)cnn1C ZINC000903898187 654291097 /nfs/dbraw/zinc/29/10/97/654291097.db2.gz LSNOBYSASIHLCL-KBXCAEBGSA-N 2 1 395.345 2.274 20 0 GEADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C)nc3Br)C2)[C@@H]1C(C)C ZINC000922391867 654389280 /nfs/dbraw/zinc/38/92/80/654389280.db2.gz BNEQIYKUJPYOCM-PNBKFKSVSA-N 2 1 385.350 2.142 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1sc(N2CCCC2)nc1Cl ZINC000855346213 654414161 /nfs/dbraw/zinc/41/41/61/654414161.db2.gz RTOURRTVUCHFQA-ZDUSSCGKSA-N 2 1 387.981 2.399 20 0 GEADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923291407 654441657 /nfs/dbraw/zinc/44/16/57/654441657.db2.gz RMMOFQPXNWPNRD-AAEUAGOBSA-N 2 1 377.710 2.384 20 0 GEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923291407 654441664 /nfs/dbraw/zinc/44/16/64/654441664.db2.gz RMMOFQPXNWPNRD-AAEUAGOBSA-N 2 1 377.710 2.384 20 0 GEADMP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923291412 654442378 /nfs/dbraw/zinc/44/23/78/654442378.db2.gz RMMOFQPXNWPNRD-YPMHNXCESA-N 2 1 377.710 2.384 20 0 GEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923291412 654442381 /nfs/dbraw/zinc/44/23/81/654442381.db2.gz RMMOFQPXNWPNRD-YPMHNXCESA-N 2 1 377.710 2.384 20 0 GEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000923410344 654451101 /nfs/dbraw/zinc/45/11/01/654451101.db2.gz XVCDJYDTNZPPND-OIISXLGYSA-N 2 1 387.293 2.259 20 0 GEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000923410344 654451106 /nfs/dbraw/zinc/45/11/06/654451106.db2.gz XVCDJYDTNZPPND-OIISXLGYSA-N 2 1 387.293 2.259 20 0 GEADMP C[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923412195 654451151 /nfs/dbraw/zinc/45/11/51/654451151.db2.gz PYODGVFCSAJYFS-GDBMZVCRSA-N 2 1 375.296 2.043 20 0 GEADMP O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923416125 654451616 /nfs/dbraw/zinc/45/16/16/654451616.db2.gz ZPIFZYFUNKZXFD-ISTRZQFTSA-N 2 1 387.293 2.402 20 0 GEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)CC[C@H]1C[NH3+] ZINC000923503170 654457135 /nfs/dbraw/zinc/45/71/35/654457135.db2.gz HMAYSEUMJZSTGN-NEPJUHHUSA-N 2 1 387.265 2.146 20 0 GEADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517253 654458497 /nfs/dbraw/zinc/45/84/97/654458497.db2.gz BQXSMDKHWYUIKS-CWRNSKLLSA-N 2 1 380.330 2.337 20 0 GEADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517253 654458505 /nfs/dbraw/zinc/45/85/05/654458505.db2.gz BQXSMDKHWYUIKS-CWRNSKLLSA-N 2 1 380.330 2.337 20 0 GEADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925405464 654544049 /nfs/dbraw/zinc/54/40/49/654544049.db2.gz OOPCLJRUNDNFOA-INIZCTEOSA-N 2 1 383.334 2.226 20 0 GEADMP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925567928 654546354 /nfs/dbraw/zinc/54/63/54/654546354.db2.gz RTOKCEWKFWUKKY-OAHLLOKOSA-N 2 1 384.318 2.308 20 0 GEADMP Brc1cnn(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000927004492 654589266 /nfs/dbraw/zinc/58/92/66/654589266.db2.gz FZDUQGORCUTWNL-INIZCTEOSA-N 2 1 383.334 2.368 20 0 GEADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])c1ccccc1I ZINC000911867142 654734606 /nfs/dbraw/zinc/73/46/06/654734606.db2.gz GEFDOLOLMBGTNM-ZIAGYGMSSA-N 2 1 389.281 2.123 20 0 GEADMP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931424543 654742097 /nfs/dbraw/zinc/74/20/97/654742097.db2.gz BACJMXVLVQJMPU-GOEBONIOSA-N 2 1 380.330 2.291 20 0 GEADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931424543 654742101 /nfs/dbraw/zinc/74/21/01/654742101.db2.gz BACJMXVLVQJMPU-GOEBONIOSA-N 2 1 380.330 2.291 20 0 GEADMP CN(Cc1ccccc1Br)C(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931424543 654742104 /nfs/dbraw/zinc/74/21/04/654742104.db2.gz BACJMXVLVQJMPU-GOEBONIOSA-N 2 1 380.330 2.291 20 0 GEADMP CN(Cc1ccccc1Br)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931424543 654742108 /nfs/dbraw/zinc/74/21/08/654742108.db2.gz BACJMXVLVQJMPU-GOEBONIOSA-N 2 1 380.330 2.291 20 0 GEADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]2C1 ZINC000931435410 654742719 /nfs/dbraw/zinc/74/27/19/654742719.db2.gz AQIRSZPMCFETHP-KEYYUXOJSA-N 2 1 378.314 2.438 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]2C1 ZINC000931435410 654742721 /nfs/dbraw/zinc/74/27/21/654742721.db2.gz AQIRSZPMCFETHP-KEYYUXOJSA-N 2 1 378.314 2.438 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]2C1 ZINC000931435410 654742725 /nfs/dbraw/zinc/74/27/25/654742725.db2.gz AQIRSZPMCFETHP-KEYYUXOJSA-N 2 1 378.314 2.438 20 0 GEADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486647 654743872 /nfs/dbraw/zinc/74/38/72/654743872.db2.gz UTUBHSLYKWLDGB-ZDUSSCGKSA-N 2 1 384.318 2.165 20 0 GEADMP C[C@H](NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000931487664 654743906 /nfs/dbraw/zinc/74/39/06/654743906.db2.gz FTPLOKXBTSSALL-AWEZNQCLSA-N 2 1 398.345 2.015 20 0 GEADMP c1cnc(N(Cc2noc3c2C[NH2+]CC3)c2ncccc2C[NH+]2CCCC2)nc1 ZINC001164632623 719266781 /nfs/dbraw/zinc/26/67/81/719266781.db2.gz AGPKZXLIRKPXMJ-UHFFFAOYSA-N 2 1 391.479 2.439 20 0 GEADMP COC(=O)c1cnc2[nH]c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)ccc1-2 ZINC001164683952 719614614 /nfs/dbraw/zinc/61/46/14/719614614.db2.gz LQXOPXMDKANMFN-UHFFFAOYSA-N 2 1 382.468 2.021 20 0 GEADMP COC(=O)c1cnc2[nH]c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)ccc1-2 ZINC001164683952 719614618 /nfs/dbraw/zinc/61/46/18/719614618.db2.gz LQXOPXMDKANMFN-UHFFFAOYSA-N 2 1 382.468 2.021 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(NC(=O)C(C)(C)C)nn2)c2c1CC[NH2+]C2 ZINC001164681135 719620720 /nfs/dbraw/zinc/62/07/20/719620720.db2.gz BIFNMVXKTXCSGL-UHFFFAOYSA-N 2 1 385.516 2.133 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(NC(=O)C(C)(C)C)nn2)c2c1CC[NH2+]C2 ZINC001164681135 719620724 /nfs/dbraw/zinc/62/07/24/719620724.db2.gz BIFNMVXKTXCSGL-UHFFFAOYSA-N 2 1 385.516 2.133 20 0 GEADMP CCOC(=O)/C=C\c1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164684700 719628852 /nfs/dbraw/zinc/62/88/52/719628852.db2.gz WSEJRFBOBNTZKZ-CLFYSBASSA-N 2 1 383.496 2.330 20 0 GEADMP CCOC(=O)/C=C\c1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164684700 719628859 /nfs/dbraw/zinc/62/88/59/719628859.db2.gz WSEJRFBOBNTZKZ-CLFYSBASSA-N 2 1 383.496 2.330 20 0 GEADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(C3CC[NH2+]CC3)n1)C2 ZINC001164807019 720145577 /nfs/dbraw/zinc/14/55/77/720145577.db2.gz AJSJWMHEMYOTLT-DENIHFKCSA-N 2 1 385.556 2.128 20 0 GEADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001164816794 720152556 /nfs/dbraw/zinc/15/25/56/720152556.db2.gz MTTNXJRGCJSSDR-WMZHIEFXSA-N 3 1 399.583 2.194 20 0 GEADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164816794 720152560 /nfs/dbraw/zinc/15/25/60/720152560.db2.gz MTTNXJRGCJSSDR-WMZHIEFXSA-N 2 1 399.583 2.194 20 0 GEADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164816794 720152565 /nfs/dbraw/zinc/15/25/65/720152565.db2.gz MTTNXJRGCJSSDR-WMZHIEFXSA-N 2 1 399.583 2.194 20 0 GEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4c(n3)CC[NH2+]C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832824 720515971 /nfs/dbraw/zinc/51/59/71/720515971.db2.gz BMXJCEPTCANUSV-IRFCIJBXSA-N 2 1 380.540 2.302 20 0 GEADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164838349 720675483 /nfs/dbraw/zinc/67/54/83/720675483.db2.gz HLIMZXMZMMJYMT-IBGZPJMESA-N 2 1 393.535 2.382 20 0 GEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc(N3CCC([NH3+])CC3)n1)[C@H]2C ZINC001164860673 720979027 /nfs/dbraw/zinc/97/90/27/720979027.db2.gz PIGGHVGWDHWXII-INIZCTEOSA-N 2 1 398.559 2.022 20 0 GEADMP Cn1ccc2c1cc[nH+]c2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912840 721775137 /nfs/dbraw/zinc/77/51/37/721775137.db2.gz QRPULEKEELUWCO-QFIPXVFZSA-N 2 1 393.491 2.076 20 0 GEADMP Cn1ccc2c1cc[nH+]c2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912840 721775141 /nfs/dbraw/zinc/77/51/41/721775141.db2.gz QRPULEKEELUWCO-QFIPXVFZSA-N 2 1 393.491 2.076 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3CC[NH2+]C4)C[C@H]21 ZINC001165017918 721805793 /nfs/dbraw/zinc/80/57/93/721805793.db2.gz BCLYMMLMMBRJNE-OZOXKJRCSA-N 2 1 378.524 2.254 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CC[NH2+]C4)C[C@@H]21 ZINC001165017915 721805813 /nfs/dbraw/zinc/80/58/13/721805813.db2.gz BCLYMMLMMBRJNE-NBHGPNQESA-N 2 1 378.524 2.254 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4c(nn3)CC[NH2+]C4)C[C@@H]21 ZINC001165029529 721817975 /nfs/dbraw/zinc/81/79/75/721817975.db2.gz ZOSVHQAPSCNJQU-LKUPVBHCSA-N 2 1 378.524 2.254 20 0 GEADMP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2cc[nH+]c(N4CCOCC4)n2)CC3)c1 ZINC001164955235 722019251 /nfs/dbraw/zinc/01/92/51/722019251.db2.gz BCDSJTXWTSIEHL-UHFFFAOYSA-N 2 1 394.523 2.201 20 0 GEADMP c1cncc(C[N@H+]2CCC3(C2)CCN(c2cc[nH+]c(N4CCOCC4)n2)CC3)c1 ZINC001164955235 722019254 /nfs/dbraw/zinc/01/92/54/722019254.db2.gz BCDSJTXWTSIEHL-UHFFFAOYSA-N 2 1 394.523 2.201 20 0 GEADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975474 722099164 /nfs/dbraw/zinc/09/91/64/722099164.db2.gz BWJQKXYYBDTYSP-UXHICEINSA-N 2 1 396.539 2.363 20 0 GEADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981445 722104694 /nfs/dbraw/zinc/10/46/94/722104694.db2.gz LNFHJJOMHBETSP-IEBWSBKVSA-N 2 1 378.480 2.091 20 0 GEADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981445 722104695 /nfs/dbraw/zinc/10/46/95/722104695.db2.gz LNFHJJOMHBETSP-IEBWSBKVSA-N 2 1 378.480 2.091 20 0 GEADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cncc(N4CC[NH2+]CC4)n2)C3)c1 ZINC001164995363 722201057 /nfs/dbraw/zinc/20/10/57/722201057.db2.gz MNOJSKFSWSVWHG-JOCHJYFZSA-N 2 1 396.514 2.270 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(F)ccc1F ZINC000060348572 531841804 /nfs/dbraw/zinc/84/18/04/531841804.db2.gz RLALVUCDMSJZPR-OAHLLOKOSA-N 2 1 375.485 2.001 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000125714920 532142119 /nfs/dbraw/zinc/14/21/19/532142119.db2.gz BJIKNGTWLZJXOS-KRWDZBQOSA-N 2 1 398.345 2.015 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000125714920 532142122 /nfs/dbraw/zinc/14/21/22/532142122.db2.gz BJIKNGTWLZJXOS-KRWDZBQOSA-N 2 1 398.345 2.015 20 0 GEADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000373615077 532460150 /nfs/dbraw/zinc/46/01/50/532460150.db2.gz GABWQXKETKILPI-VQIMIIECSA-N 2 1 396.373 2.376 20 0 GEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cccc(I)c3)C[C@@H]21 ZINC000230049677 532490486 /nfs/dbraw/zinc/49/04/86/532490486.db2.gz AFDFWDGAZWQOHT-BYCMXARLSA-N 2 1 399.276 2.289 20 0 GEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cccc(I)c3)C[C@@H]21 ZINC000230049677 532490498 /nfs/dbraw/zinc/49/04/98/532490498.db2.gz AFDFWDGAZWQOHT-BYCMXARLSA-N 2 1 399.276 2.289 20 0 GEADMP O=S(=O)(CC[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000431028531 532504079 /nfs/dbraw/zinc/50/40/79/532504079.db2.gz RORXRJXQPVFJBP-UHFFFAOYSA-N 2 1 387.343 2.298 20 0 GEADMP O=C([C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1)N1CC[NH2+]CC1 ZINC000469995146 532518699 /nfs/dbraw/zinc/51/86/99/532518699.db2.gz WRFPYYOILCTTDR-CYBMUJFWSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1)N1CC[NH2+]CC1 ZINC000469995146 532518706 /nfs/dbraw/zinc/51/87/06/532518706.db2.gz WRFPYYOILCTTDR-CYBMUJFWSA-N 2 1 384.293 2.232 20 0 GEADMP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000565046064 532544258 /nfs/dbraw/zinc/54/42/58/532544258.db2.gz ATEBJXRHBZXXKE-KBPBESRZSA-N 2 1 381.318 2.494 20 0 GEADMP CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNC[C@@H]1CCC[N@@H+]1C ZINC000296599089 532530173 /nfs/dbraw/zinc/53/01/73/532530173.db2.gz YFDLRXCUNZPNAO-WFASDCNBSA-N 2 1 384.318 2.146 20 0 GEADMP CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNC[C@@H]1CCC[N@H+]1C ZINC000296599089 532530180 /nfs/dbraw/zinc/53/01/80/532530180.db2.gz YFDLRXCUNZPNAO-WFASDCNBSA-N 2 1 384.318 2.146 20 0 GEADMP COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262078093 532584160 /nfs/dbraw/zinc/58/41/60/532584160.db2.gz KMBBBKNMWFRHDN-INIZCTEOSA-N 2 1 396.329 2.417 20 0 GEADMP CCOc1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc(Br)c1OC ZINC000262082834 532584881 /nfs/dbraw/zinc/58/48/81/532584881.db2.gz FNKYTTWCUILGLR-HNNXBMFYSA-N 2 1 398.345 2.336 20 0 GEADMP CCOc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc(Br)c1OC ZINC000262082834 532584883 /nfs/dbraw/zinc/58/48/83/532584883.db2.gz FNKYTTWCUILGLR-HNNXBMFYSA-N 2 1 398.345 2.336 20 0 GEADMP CC(C)C[C@H](C[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595924051 532575946 /nfs/dbraw/zinc/57/59/46/532575946.db2.gz GJLLFFSSPDXEBN-MRVPVSSYSA-N 2 1 393.294 2.059 20 0 GEADMP CCCC[C@@H](C[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595925302 532578590 /nfs/dbraw/zinc/57/85/90/532578590.db2.gz XXDSREURLHOKNS-QMMMGPOBSA-N 2 1 393.294 2.203 20 0 GEADMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(I)cc1 ZINC000596654400 532602140 /nfs/dbraw/zinc/60/21/40/532602140.db2.gz OAKJXADRAOMJFY-SECBINFHSA-N 2 1 384.221 2.096 20 0 GEADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCOc1ccccc1Br ZINC000567899485 532669735 /nfs/dbraw/zinc/66/97/35/532669735.db2.gz SSMYOHCTVBDDAK-CQSZACIVSA-N 2 1 384.318 2.147 20 0 GEADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCOc1ccccc1Br ZINC000567899485 532669742 /nfs/dbraw/zinc/66/97/42/532669742.db2.gz SSMYOHCTVBDDAK-CQSZACIVSA-N 2 1 384.318 2.147 20 0 GEADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000568513116 532679743 /nfs/dbraw/zinc/67/97/43/532679743.db2.gz CGSLHRMALCHHSW-KBPBESRZSA-N 2 1 396.329 2.463 20 0 GEADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000568513116 532679750 /nfs/dbraw/zinc/67/97/50/532679750.db2.gz CGSLHRMALCHHSW-KBPBESRZSA-N 2 1 396.329 2.463 20 0 GEADMP O=c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc2ccc(Br)cn12 ZINC000569206114 532692485 /nfs/dbraw/zinc/69/24/85/532692485.db2.gz CRYOZBQTSILKCG-CZUORRHYSA-N 2 1 391.313 2.421 20 0 GEADMP O=c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc2ccc(Br)cn12 ZINC000569206114 532692493 /nfs/dbraw/zinc/69/24/93/532692493.db2.gz CRYOZBQTSILKCG-CZUORRHYSA-N 2 1 391.313 2.421 20 0 GEADMP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ncc(I)s1 ZINC000286270948 532738084 /nfs/dbraw/zinc/73/80/84/532738084.db2.gz BHXMCTSRJPOAPA-JTQLQIEISA-N 2 1 383.299 2.194 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1cccc(Br)c1 ZINC000411426228 532760392 /nfs/dbraw/zinc/76/03/92/532760392.db2.gz MZVXPUNVUSQYBU-UHFFFAOYSA-N 2 1 397.361 2.347 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CCO)c2ccccc2Br)CC1 ZINC000411513978 532765334 /nfs/dbraw/zinc/76/53/34/532765334.db2.gz WBVZVHLELBIFQW-QGZVFWFLSA-N 2 1 398.345 2.063 20 0 GEADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000414744070 532834748 /nfs/dbraw/zinc/83/47/48/532834748.db2.gz JGKAQXFREZJKGF-PBQZTSCYSA-N 2 1 386.323 2.081 20 0 GEADMP Cc1cc(Br)c2c(c1)C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000414760063 532834761 /nfs/dbraw/zinc/83/47/61/532834761.db2.gz PVXOOUBGMUUKPA-AWEZNQCLSA-N 2 1 380.330 2.313 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnc2ccc(Br)cn12 ZINC000289421943 532853919 /nfs/dbraw/zinc/85/39/19/532853919.db2.gz JFGSZNVROFQHIZ-UHFFFAOYSA-N 2 1 380.334 2.166 20 0 GEADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000368416299 532932111 /nfs/dbraw/zinc/93/21/11/532932111.db2.gz JBSSYMLCYYZLSG-IIAWOOMASA-N 2 1 385.961 2.497 20 0 GEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000368416299 532932112 /nfs/dbraw/zinc/93/21/12/532932112.db2.gz JBSSYMLCYYZLSG-IIAWOOMASA-N 2 1 385.961 2.497 20 0 GEADMP C[C@@H]1CC[S@@](=O)CC[NH+]1CCCCCC[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000369351505 532938970 /nfs/dbraw/zinc/93/89/70/532938970.db2.gz DIUOMGWYSHWPSB-IMWWXNSKSA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1CC[S@](=O)CC[NH+]1CCCCCC[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000369351505 532938971 /nfs/dbraw/zinc/93/89/71/532938971.db2.gz DIUOMGWYSHWPSB-IMWWXNSKSA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1CC[S@](=O)CC[NH+]1CCCCCC[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000369351505 532938973 /nfs/dbraw/zinc/93/89/73/532938973.db2.gz DIUOMGWYSHWPSB-IMWWXNSKSA-N 2 1 376.632 2.233 20 0 GEADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736471900 598915524 /nfs/dbraw/zinc/91/55/24/598915524.db2.gz XUWCTCVCDPGCPY-UHFFFAOYSA-N 2 1 399.543 2.068 20 0 GEADMP CC[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736514201 598508792 /nfs/dbraw/zinc/50/87/92/598508792.db2.gz VWPIETISPVDDEC-UHFFFAOYSA-N 2 1 399.524 2.450 20 0 GEADMP CC[N@@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736514201 598508794 /nfs/dbraw/zinc/50/87/94/598508794.db2.gz VWPIETISPVDDEC-UHFFFAOYSA-N 2 1 399.524 2.450 20 0 GEADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)Cc1ccccc1 ZINC000736798622 598811153 /nfs/dbraw/zinc/81/11/53/598811153.db2.gz BXALVHZHGSWGRR-UHFFFAOYSA-N 2 1 391.523 2.116 20 0 GEADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681457 606843653 /nfs/dbraw/zinc/84/36/53/606843653.db2.gz DMJDCBOGVRQNGX-FQEVSTJZSA-N 2 1 378.480 2.154 20 0 GEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000822476946 606857733 /nfs/dbraw/zinc/85/77/33/606857733.db2.gz ASJWKLWKKZENFN-LJQANCHMSA-N 2 1 393.426 2.323 20 0 GEADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000820722674 606891219 /nfs/dbraw/zinc/89/12/19/606891219.db2.gz LJJPQOBPVKGCRE-YLJYHZDGSA-N 2 1 384.528 2.344 20 0 GEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000820722674 606891221 /nfs/dbraw/zinc/89/12/21/606891221.db2.gz LJJPQOBPVKGCRE-YLJYHZDGSA-N 2 1 384.528 2.344 20 0 GEADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623861 607172121 /nfs/dbraw/zinc/17/21/21/607172121.db2.gz UQDIIKHRSXALPU-PKOBYXMFSA-N 2 1 378.484 2.104 20 0 GEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623861 607172122 /nfs/dbraw/zinc/17/21/22/607172122.db2.gz UQDIIKHRSXALPU-PKOBYXMFSA-N 2 1 378.484 2.104 20 0 GEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623861 607172123 /nfs/dbraw/zinc/17/21/23/607172123.db2.gz UQDIIKHRSXALPU-PKOBYXMFSA-N 2 1 378.484 2.104 20 0 GEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623861 607172124 /nfs/dbraw/zinc/17/21/24/607172124.db2.gz UQDIIKHRSXALPU-PKOBYXMFSA-N 2 1 378.484 2.104 20 0 GEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826330735 609338421 /nfs/dbraw/zinc/33/84/21/609338421.db2.gz GKQTWDWBULTSMS-CQSZACIVSA-N 2 1 391.483 2.198 20 0 GEADMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000510954273 650521976 /nfs/dbraw/zinc/52/19/76/650521976.db2.gz XXLGWIZYGCIRLM-SWLSCSKDSA-N 2 1 377.913 2.077 20 0 GEADMP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000479070973 650595459 /nfs/dbraw/zinc/59/54/59/650595459.db2.gz QVIPTNBROMNCNS-WFASDCNBSA-N 2 1 376.282 2.124 20 0 GEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000518413123 650604963 /nfs/dbraw/zinc/60/49/63/650604963.db2.gz VGLSKRSDAOMKIH-DGCLKSJQSA-N 2 1 380.341 2.202 20 0 GEADMP C[N@@H+](CC(=O)Nc1cccc(I)c1)C1CCC([NH3+])CC1 ZINC000098002018 643099430 /nfs/dbraw/zinc/09/94/30/643099430.db2.gz MKWFTMYIRQNKNM-UHFFFAOYSA-N 2 1 387.265 2.431 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000194023859 645308571 /nfs/dbraw/zinc/30/85/71/645308571.db2.gz SOHCGFRPMGXBLH-UHFFFAOYSA-N 2 1 380.330 2.449 20 0 GEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000280706141 646707863 /nfs/dbraw/zinc/70/78/63/646707863.db2.gz LWNNSYMNFABKAI-NWDGAFQWSA-N 2 1 390.347 2.089 20 0 GEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000280706141 646707879 /nfs/dbraw/zinc/70/78/79/646707879.db2.gz LWNNSYMNFABKAI-NWDGAFQWSA-N 2 1 390.347 2.089 20 0 GEADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000294708021 647223740 /nfs/dbraw/zinc/22/37/40/647223740.db2.gz FKDSWUFFQOUXCQ-UHFFFAOYSA-N 2 1 386.309 2.478 20 0 GEADMP C[C@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[NH+]1CCSCC1 ZINC000376973405 647852445 /nfs/dbraw/zinc/85/24/45/647852445.db2.gz VTKXNOODLPBAIO-LRVUVFPRSA-N 2 1 379.492 2.345 20 0 GEADMP C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414678364 648099457 /nfs/dbraw/zinc/09/94/57/648099457.db2.gz QKGLFQCPBGXFCR-GFCCVEGCSA-N 2 1 387.311 2.061 20 0 GEADMP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)cc1F ZINC000423376660 648590054 /nfs/dbraw/zinc/59/00/54/648590054.db2.gz DWPSINCTFUTHAI-SKDRFNHKSA-N 2 1 399.230 2.470 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000556881147 651255670 /nfs/dbraw/zinc/25/56/70/651255670.db2.gz FMLUKSWSNLDHNP-XIRDDKMYSA-N 2 1 385.961 2.471 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)[C@H]2CCC[C@@H]21 ZINC000556881146 651255776 /nfs/dbraw/zinc/25/57/76/651255776.db2.gz FMLUKSWSNLDHNP-PVAVHDDUSA-N 2 1 385.961 2.471 20 0 GEADMP COc1ccc(Br)c(C[N@H+](C)CCC(=O)N2CCN(C)CC2)c1 ZINC000558738159 651284132 /nfs/dbraw/zinc/28/41/32/651284132.db2.gz OKWQZWZBCKSZGS-UHFFFAOYSA-N 2 1 384.318 2.054 20 0 GEADMP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000560581245 651311833 /nfs/dbraw/zinc/31/18/33/651311833.db2.gz OQSJHGYTAYVWIT-GVDBMIGSSA-N 2 1 385.961 2.389 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000644639569 651560130 /nfs/dbraw/zinc/56/01/30/651560130.db2.gz IJPLUNLDYGVWFW-CQSZACIVSA-N 2 1 390.355 2.349 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000644639567 651560337 /nfs/dbraw/zinc/56/03/37/651560337.db2.gz IJPLUNLDYGVWFW-AWEZNQCLSA-N 2 1 390.355 2.349 20 0 GEADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1c(Cl)cccc1Cl ZINC000647517810 651749463 /nfs/dbraw/zinc/74/94/63/651749463.db2.gz GQVYIDCQAGGUDB-KBPBESRZSA-N 2 1 377.312 2.170 20 0 GEADMP O=S(=O)(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1Cl ZINC000570320962 651760337 /nfs/dbraw/zinc/76/03/37/651760337.db2.gz RHFOCAXCSKLGKI-FOSCPWQOSA-N 2 1 378.325 2.144 20 0 GEADMP O=C(CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)N1CC[NH2+]CC1 ZINC000647989668 651769139 /nfs/dbraw/zinc/76/91/39/651769139.db2.gz VILQNXHSHXPIKG-LBPRGKRZSA-N 2 1 376.448 2.163 20 0 GEADMP COCC[NH2+]C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000571648228 651845857 /nfs/dbraw/zinc/84/58/57/651845857.db2.gz HNABOXVENSXZCC-UHFFFAOYSA-N 2 1 384.318 2.478 20 0 GEADMP CC(C)c1n[nH]c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1Br ZINC000617505788 651954772 /nfs/dbraw/zinc/95/47/72/651954772.db2.gz QCNNSYKKUNGNAW-LBPRGKRZSA-N 2 1 388.354 2.297 20 0 GEADMP CC(C)c1n[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1Br ZINC000617505788 651954776 /nfs/dbraw/zinc/95/47/76/651954776.db2.gz QCNNSYKKUNGNAW-LBPRGKRZSA-N 2 1 388.354 2.297 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)COc1ccccc1Br ZINC000617506280 651954812 /nfs/dbraw/zinc/95/48/12/651954812.db2.gz ILUFBEWSPCYJAL-AWEZNQCLSA-N 2 1 386.334 2.216 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)COc1ccccc1Br ZINC000617506280 651954816 /nfs/dbraw/zinc/95/48/16/651954816.db2.gz ILUFBEWSPCYJAL-AWEZNQCLSA-N 2 1 386.334 2.216 20 0 GEADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)CC12CCOCC2 ZINC000574692305 652037066 /nfs/dbraw/zinc/03/70/66/652037066.db2.gz YRWZAFUCIKASOE-CQSZACIVSA-N 2 1 396.329 2.465 20 0 GEADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000577178084 652168415 /nfs/dbraw/zinc/16/84/15/652168415.db2.gz FQHPCXIJYUHCQY-HOTGVXAUSA-N 2 1 391.339 2.416 20 0 GEADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CC[NH+]1CCOCC1 ZINC000751382818 652344153 /nfs/dbraw/zinc/34/41/53/652344153.db2.gz ANINXKCLSQFFGE-UHFFFAOYSA-N 2 1 398.345 2.062 20 0 GEADMP C[C@@H]1CN(CCN(C)C(=O)[C@@](C)(N)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000582061468 652433791 /nfs/dbraw/zinc/43/37/91/652433791.db2.gz USPAEIXYBZGKSE-IYOUNJFTSA-N 2 1 398.345 2.191 20 0 GEADMP [NH3+][C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1Br ZINC000662583502 652468931 /nfs/dbraw/zinc/46/89/31/652468931.db2.gz VAJOMFJWFCIYPZ-RMHZUWNSSA-N 2 1 396.329 2.194 20 0 GEADMP O=S(=O)(NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000671766682 652811984 /nfs/dbraw/zinc/81/19/84/652811984.db2.gz SHHCHGRVDFTDOA-CHWSQXEVSA-N 2 1 392.352 2.488 20 0 GEADMP O=S(=O)(NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000671766682 652811987 /nfs/dbraw/zinc/81/19/87/652811987.db2.gz SHHCHGRVDFTDOA-CHWSQXEVSA-N 2 1 392.352 2.488 20 0 GEADMP CSc1ncc(Cl)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000601477213 653098950 /nfs/dbraw/zinc/09/89/50/653098950.db2.gz GOPCULOWXFATQZ-CYBMUJFWSA-N 2 1 383.949 2.092 20 0 GEADMP CSc1ncc(Cl)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000601477213 653098953 /nfs/dbraw/zinc/09/89/53/653098953.db2.gz GOPCULOWXFATQZ-CYBMUJFWSA-N 2 1 383.949 2.092 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(Br)c2)CC1 ZINC000839637292 653658714 /nfs/dbraw/zinc/65/87/14/653658714.db2.gz WQHWTLJURFGDSU-KRWDZBQOSA-N 2 1 398.345 2.015 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)CC1 ZINC000839637292 653658715 /nfs/dbraw/zinc/65/87/15/653658715.db2.gz WQHWTLJURFGDSU-KRWDZBQOSA-N 2 1 398.345 2.015 20 0 GEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000879581769 653673691 /nfs/dbraw/zinc/67/36/91/653673691.db2.gz NUUOTYBMHDAFPF-PVUWLOKVSA-N 2 1 387.293 2.354 20 0 GEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000879581769 653673696 /nfs/dbraw/zinc/67/36/96/653673696.db2.gz NUUOTYBMHDAFPF-PVUWLOKVSA-N 2 1 387.293 2.354 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000879581769 653673700 /nfs/dbraw/zinc/67/37/00/653673700.db2.gz NUUOTYBMHDAFPF-PVUWLOKVSA-N 2 1 387.293 2.354 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)COc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000879581769 653673704 /nfs/dbraw/zinc/67/37/04/653673704.db2.gz NUUOTYBMHDAFPF-PVUWLOKVSA-N 2 1 387.293 2.354 20 0 GEADMP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1nc(Br)cs1 ZINC000817972698 653723058 /nfs/dbraw/zinc/72/30/58/653723058.db2.gz NUTFQAZWTWPSTK-BDAKNGLRSA-N 2 1 387.269 2.392 20 0 GEADMP CCN1CC[NH+](CCCC[NH2+]Cc2cc(Br)cnc2OC)CC1 ZINC000865413741 653764602 /nfs/dbraw/zinc/76/46/02/653764602.db2.gz VWXMRRNMUYOPFX-UHFFFAOYSA-N 2 1 385.350 2.360 20 0 GEADMP C[C@@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1Cl ZINC000843063226 653778599 /nfs/dbraw/zinc/77/85/99/653778599.db2.gz XSWNIWBAZJAAAO-CZUORRHYSA-N 2 1 391.737 2.356 20 0 GEADMP C[N@H+](CCS(=O)(=O)c1cccc(Br)c1)C1CCC([NH3+])CC1 ZINC000843355082 653785504 /nfs/dbraw/zinc/78/55/04/653785504.db2.gz LQCFGHVUVSFKOL-UHFFFAOYSA-N 2 1 375.332 2.425 20 0 GEADMP C[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)C1CCC([NH3+])CC1 ZINC000843355082 653785507 /nfs/dbraw/zinc/78/55/07/653785507.db2.gz LQCFGHVUVSFKOL-UHFFFAOYSA-N 2 1 375.332 2.425 20 0 GEADMP COCC[N@@H+](C)CCCC1CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000821401882 653797730 /nfs/dbraw/zinc/79/77/30/653797730.db2.gz HOXBNQJIVOEUNO-UHFFFAOYSA-N 2 1 388.354 2.111 20 0 GEADMP C[N@H+](CCn1cnc(Br)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000851793491 654178581 /nfs/dbraw/zinc/17/85/81/654178581.db2.gz WLHMVRUJAZRNCQ-MRXNPFEDSA-N 2 1 378.318 2.495 20 0 GEADMP C[N@@H+](CCn1cnc(Br)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000851793491 654178585 /nfs/dbraw/zinc/17/85/85/654178585.db2.gz WLHMVRUJAZRNCQ-MRXNPFEDSA-N 2 1 378.318 2.495 20 0 GEADMP C[NH+](CCn1cnc(Br)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000851793491 654178591 /nfs/dbraw/zinc/17/85/91/654178591.db2.gz WLHMVRUJAZRNCQ-MRXNPFEDSA-N 2 1 378.318 2.495 20 0 GEADMP C[NH+](CCn1cnc(Br)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000851793491 654178594 /nfs/dbraw/zinc/17/85/94/654178594.db2.gz WLHMVRUJAZRNCQ-MRXNPFEDSA-N 2 1 378.318 2.495 20 0 GEADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870884206 654202847 /nfs/dbraw/zinc/20/28/47/654202847.db2.gz PJSBBBYWEXFYAK-INIZCTEOSA-N 2 1 398.345 2.455 20 0 GEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)cnn1C ZINC000903898188 654291024 /nfs/dbraw/zinc/29/10/24/654291024.db2.gz LSNOBYSASIHLCL-KDOFPFPSSA-N 2 1 395.345 2.274 20 0 GEADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891681020 654306438 /nfs/dbraw/zinc/30/64/38/654306438.db2.gz DSAHRPIHGBUKGC-IRXDYDNUSA-N 2 1 393.329 2.169 20 0 GEADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000872254808 654319907 /nfs/dbraw/zinc/31/99/07/654319907.db2.gz DGINLPCGDRWROC-FPMFFAJLSA-N 2 1 376.507 2.239 20 0 GEADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000872254808 654319913 /nfs/dbraw/zinc/31/99/13/654319913.db2.gz DGINLPCGDRWROC-FPMFFAJLSA-N 2 1 376.507 2.239 20 0 GEADMP CCn1c(C[NH2+]CCOCC[NH+](C)C)nc(Br)c1Br ZINC000922007084 654354452 /nfs/dbraw/zinc/35/44/52/654354452.db2.gz FTWNUYICLMQNEH-UHFFFAOYSA-N 2 1 398.143 2.096 20 0 GEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000905587642 654368223 /nfs/dbraw/zinc/36/82/23/654368223.db2.gz QKWQQGPJDIUJJK-QGZVFWFLSA-N 2 1 393.329 2.217 20 0 GEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000905587642 654368227 /nfs/dbraw/zinc/36/82/27/654368227.db2.gz QKWQQGPJDIUJJK-QGZVFWFLSA-N 2 1 393.329 2.217 20 0 GEADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C)nc3Br)C2)[C@H]1C(C)C ZINC000922391865 654389077 /nfs/dbraw/zinc/38/90/77/654389077.db2.gz BNEQIYKUJPYOCM-ANQUJSFKSA-N 2 1 385.350 2.142 20 0 GEADMP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(CC[S@@](=O)C(F)(F)F)C2)ccn1 ZINC000931094216 654729375 /nfs/dbraw/zinc/72/93/75/654729375.db2.gz OZIDYOJRRZPINO-ODCWNRFASA-N 2 1 379.448 2.255 20 0 GEADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911735581 654730908 /nfs/dbraw/zinc/73/09/08/654730908.db2.gz WNVRRAFYRHZNSJ-KRWDZBQOSA-N 2 1 392.297 2.275 20 0 GEADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2)[NH+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000931173984 654731883 /nfs/dbraw/zinc/73/18/83/654731883.db2.gz HRRLZHFQFXYCSB-PNKHAZJDSA-N 2 1 383.627 2.431 20 0 GEADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H]2CC[C@@H](C1)S2)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000931173984 654731884 /nfs/dbraw/zinc/73/18/84/654731884.db2.gz HRRLZHFQFXYCSB-PNKHAZJDSA-N 2 1 383.627 2.431 20 0 GEADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H]2CC[C@@H](C1)S2)[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000931173984 654731889 /nfs/dbraw/zinc/73/18/89/654731889.db2.gz HRRLZHFQFXYCSB-PNKHAZJDSA-N 2 1 383.627 2.431 20 0 GEADMP Cc1cc(NC(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)ccc1Br ZINC000931485901 654743666 /nfs/dbraw/zinc/74/36/66/654743666.db2.gz SAUBATHAILMVEX-UHFFFAOYSA-N 2 1 384.318 2.085 20 0 GEADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c2c1C ZINC001164390363 718824648 /nfs/dbraw/zinc/82/46/48/718824648.db2.gz OABCYQFMXGGZCY-HOTGVXAUSA-N 2 1 387.553 2.471 20 0 GEADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3C[NH2+]C[C@]3(CO)C2)n1 ZINC001164410068 718853339 /nfs/dbraw/zinc/85/33/39/718853339.db2.gz YNYWAHWCSUIEOG-FOIQADDNSA-N 2 1 389.569 2.168 20 0 GEADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164617751 719015602 /nfs/dbraw/zinc/01/56/02/719015602.db2.gz OYLGWBBEQAUSNF-PMPSAXMXSA-N 2 1 378.904 2.061 20 0 GEADMP COC(=O)c1cc(Cl)cnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681763 719604817 /nfs/dbraw/zinc/60/48/17/719604817.db2.gz AJQMINIWLVLAFQ-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COC(=O)c1cc(Cl)cnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681763 719604822 /nfs/dbraw/zinc/60/48/22/719604822.db2.gz AJQMINIWLVLAFQ-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745469 720808904 /nfs/dbraw/zinc/80/89/04/720808904.db2.gz KOZRWLRGLBLHPX-NZSAHSFTSA-N 2 1 394.527 2.022 20 0 GEADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745469 720808905 /nfs/dbraw/zinc/80/89/05/720808905.db2.gz KOZRWLRGLBLHPX-NZSAHSFTSA-N 2 1 394.527 2.022 20 0 GEADMP COc1ccc2c[nH+]c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)cc2c1 ZINC001164749366 720959380 /nfs/dbraw/zinc/95/93/80/720959380.db2.gz CYHMTXJNBQBENW-UHFFFAOYSA-N 2 1 395.463 2.086 20 0 GEADMP c1cn(-c2cc[nH+]c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)cn1 ZINC001164877592 721169991 /nfs/dbraw/zinc/16/99/91/721169991.db2.gz OWYOKHDGDNHUPC-WOJBJXKFSA-N 2 1 376.464 2.142 20 0 GEADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(N5CCCC5)cc[nH+]4)C3)O2)CC1 ZINC001164885619 721423274 /nfs/dbraw/zinc/42/32/74/721423274.db2.gz GTPOBSZWMZGCKU-JTHBVZDNSA-N 2 1 399.583 2.447 20 0 GEADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164909313 721545999 /nfs/dbraw/zinc/54/59/99/721545999.db2.gz RIOXMBCZFGUZGZ-AZUAARDMSA-N 2 1 397.498 2.425 20 0 GEADMP C[NH+](C)Cc1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164800840 721584932 /nfs/dbraw/zinc/58/49/32/721584932.db2.gz CUCUIUOYHMPCBD-URVUXULASA-N 2 1 381.524 2.406 20 0 GEADMP c1cc2c(cc[nH+]c2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)[nH]1 ZINC001164911959 721769941 /nfs/dbraw/zinc/76/99/41/721769941.db2.gz IUWYNXRYNDXKMB-OAQYLSRUSA-N 2 1 379.464 2.066 20 0 GEADMP c1cc2c(cc[nH+]c2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)[nH]1 ZINC001164911959 721769945 /nfs/dbraw/zinc/76/99/45/721769945.db2.gz IUWYNXRYNDXKMB-OAQYLSRUSA-N 2 1 379.464 2.066 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1F ZINC000060348663 531840450 /nfs/dbraw/zinc/84/04/50/531840450.db2.gz LYHGDQSLMCLORD-HNNXBMFYSA-N 2 1 375.485 2.001 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000178673913 532208898 /nfs/dbraw/zinc/20/88/98/532208898.db2.gz DPGCIPBCUFAHQR-INIZCTEOSA-N 2 1 396.329 2.417 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(I)cc1 ZINC000182952084 532320140 /nfs/dbraw/zinc/32/01/40/532320140.db2.gz XIEXMZVEHDTQEM-UHFFFAOYSA-N 2 1 387.309 2.361 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000182967116 532320145 /nfs/dbraw/zinc/32/01/45/532320145.db2.gz GMXAPFNDIRZMIE-INIZCTEOSA-N 2 1 390.355 2.302 20 0 GEADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000187953643 532346104 /nfs/dbraw/zinc/34/61/04/532346104.db2.gz WNYDUOVEDPXWEN-WMLDXEAASA-N 2 1 386.323 2.451 20 0 GEADMP COCC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000516176021 532383034 /nfs/dbraw/zinc/38/30/34/532383034.db2.gz YBMKRVJTQKVXEW-UHFFFAOYSA-N 2 1 384.318 2.478 20 0 GEADMP Cc1cc(N2CCC[C@H]([NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)C2=O)ccc1Br ZINC000680961468 532420506 /nfs/dbraw/zinc/42/05/06/532420506.db2.gz IHKSOAWAITZISU-ZQIUZPCESA-N 2 1 378.314 2.404 20 0 GEADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000373615075 532459847 /nfs/dbraw/zinc/45/98/47/532459847.db2.gz GABWQXKETKILPI-LPHOPBHVSA-N 2 1 396.373 2.376 20 0 GEADMP Cc1ccc(NCCC[NH2+]C[C@H](O)COc2cccc(Br)c2)[nH+]c1 ZINC000562991432 532492255 /nfs/dbraw/zinc/49/22/55/532492255.db2.gz OGTSAJMWGUGTBK-INIZCTEOSA-N 2 1 394.313 2.984 20 0 GEADMP CN1CCN(C(=O)CC[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433286656 532560741 /nfs/dbraw/zinc/56/07/41/532560741.db2.gz JQWRAACTRBFKJQ-QGZVFWFLSA-N 2 1 394.357 2.478 20 0 GEADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433286656 532560746 /nfs/dbraw/zinc/56/07/46/532560746.db2.gz JQWRAACTRBFKJQ-QGZVFWFLSA-N 2 1 394.357 2.478 20 0 GEADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433286656 532560752 /nfs/dbraw/zinc/56/07/52/532560752.db2.gz JQWRAACTRBFKJQ-QGZVFWFLSA-N 2 1 394.357 2.478 20 0 GEADMP Brc1ccc(-n2cc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cn2)cc1 ZINC000262168655 532587613 /nfs/dbraw/zinc/58/76/13/532587613.db2.gz UTSSSIWLHHZUNH-SFHVURJKSA-N 2 1 390.329 2.114 20 0 GEADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000566732558 532626776 /nfs/dbraw/zinc/62/67/76/532626776.db2.gz BTTQJSNYDCIFSQ-KSSFIOAISA-N 2 1 382.346 2.320 20 0 GEADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000566732558 532626779 /nfs/dbraw/zinc/62/67/79/532626779.db2.gz BTTQJSNYDCIFSQ-KSSFIOAISA-N 2 1 382.346 2.320 20 0 GEADMP C[NH+](C)CCCS(=O)(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000632612033 532631470 /nfs/dbraw/zinc/63/14/70/532631470.db2.gz ABINKFGAEVREGL-HNNXBMFYSA-N 2 1 381.464 2.179 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000567171569 532643402 /nfs/dbraw/zinc/64/34/02/532643402.db2.gz ITIMRSBZIXQHTH-OAHLLOKOSA-N 2 1 380.330 2.060 20 0 GEADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439440810 532694185 /nfs/dbraw/zinc/69/41/85/532694185.db2.gz QPSSHCAUGOZYFP-SWLSCSKDSA-N 2 1 375.282 2.211 20 0 GEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439440810 532694187 /nfs/dbraw/zinc/69/41/87/532694187.db2.gz QPSSHCAUGOZYFP-SWLSCSKDSA-N 2 1 375.282 2.211 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cncc(Br)c1 ZINC000299726841 532737221 /nfs/dbraw/zinc/73/72/21/532737221.db2.gz RWQDVNUQBJMWTH-INIZCTEOSA-N 2 1 383.334 2.332 20 0 GEADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000582784659 532761778 /nfs/dbraw/zinc/76/17/78/532761778.db2.gz OAXQAPCMCHNXOE-ZDUSSCGKSA-N 2 1 380.330 2.385 20 0 GEADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC000411509285 532763680 /nfs/dbraw/zinc/76/36/80/532763680.db2.gz UIMRFPLWPBYOMV-QGZVFWFLSA-N 2 1 398.345 2.061 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000414749929 532834454 /nfs/dbraw/zinc/83/44/54/532834454.db2.gz QFRYEOCMWADXJG-OAHLLOKOSA-N 2 1 388.339 2.375 20 0 GEADMP COc1ccc(Br)c(C[N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000414753649 532834655 /nfs/dbraw/zinc/83/46/55/532834655.db2.gz MRSSOAVNNQOSKC-CYBMUJFWSA-N 2 1 384.318 2.087 20 0 GEADMP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414755953 532834920 /nfs/dbraw/zinc/83/49/20/532834920.db2.gz ILGBWQXXYDYMME-KBPBESRZSA-N 2 1 380.330 2.393 20 0 GEADMP COc1ccc(Br)c(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415124212 532837723 /nfs/dbraw/zinc/83/77/23/532837723.db2.gz JZBVMNPSFNQDNF-AWEZNQCLSA-N 2 1 380.290 2.345 20 0 GEADMP COc1ccc(Br)c(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415124212 532837729 /nfs/dbraw/zinc/83/77/29/532837729.db2.gz JZBVMNPSFNQDNF-AWEZNQCLSA-N 2 1 380.290 2.345 20 0 GEADMP C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])CCN1C1CC[NH+](C)CC1 ZINC000370717604 532944957 /nfs/dbraw/zinc/94/49/57/532944957.db2.gz WBKOHBPISXASIX-CYBMUJFWSA-N 2 1 396.329 2.395 20 0 GEADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736759482 599359468 /nfs/dbraw/zinc/35/94/68/599359468.db2.gz SHCNPYDDTZZTIC-UHFFFAOYSA-N 2 1 391.907 2.122 20 0 GEADMP C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CC[C@@H]1CCCC[NH+]1C ZINC000821598003 599582940 /nfs/dbraw/zinc/58/29/40/599582940.db2.gz NQLPYPXXLQDTFN-ZDUSSCGKSA-N 2 1 377.518 2.063 20 0 GEADMP C[NH+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CC[C@@H]1CCCC[N@@H+]1C ZINC000821598003 599582942 /nfs/dbraw/zinc/58/29/42/599582942.db2.gz NQLPYPXXLQDTFN-ZDUSSCGKSA-N 2 1 377.518 2.063 20 0 GEADMP C[NH+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CC[C@@H]1CCCC[N@H+]1C ZINC000821598003 599582944 /nfs/dbraw/zinc/58/29/44/599582944.db2.gz NQLPYPXXLQDTFN-ZDUSSCGKSA-N 2 1 377.518 2.063 20 0 GEADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737844923 599590208 /nfs/dbraw/zinc/59/02/08/599590208.db2.gz XBPOICRCJNIBKH-GOSISDBHSA-N 2 1 383.500 2.146 20 0 GEADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000821622100 606200275 /nfs/dbraw/zinc/20/02/75/606200275.db2.gz RVOKGMOKBIQVLH-UHFFFAOYSA-N 2 1 383.544 2.499 20 0 GEADMP C[N@H+]1CCN(CCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)[C@H](c2ccccc2)C1 ZINC000821627394 606210058 /nfs/dbraw/zinc/21/00/58/606210058.db2.gz ZGZPLROVYRXRQF-IBGZPJMESA-N 2 1 397.552 2.397 20 0 GEADMP CC1CC[NH+](CCN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820722698 606846265 /nfs/dbraw/zinc/84/62/65/606846265.db2.gz LYKCDPAAGWBQBC-UHFFFAOYSA-N 2 1 383.544 2.106 20 0 GEADMP C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821596648 606905583 /nfs/dbraw/zinc/90/55/83/606905583.db2.gz QRYHUAIDCWICLE-RXVVDRJESA-N 2 1 392.507 2.354 20 0 GEADMP C[N@@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821596648 606905584 /nfs/dbraw/zinc/90/55/84/606905584.db2.gz QRYHUAIDCWICLE-RXVVDRJESA-N 2 1 392.507 2.354 20 0 GEADMP C[NH+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821596648 606905585 /nfs/dbraw/zinc/90/55/85/606905585.db2.gz QRYHUAIDCWICLE-RXVVDRJESA-N 2 1 392.507 2.354 20 0 GEADMP C[NH+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821596648 606905586 /nfs/dbraw/zinc/90/55/86/606905586.db2.gz QRYHUAIDCWICLE-RXVVDRJESA-N 2 1 392.507 2.354 20 0 GEADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825918566 608207739 /nfs/dbraw/zinc/20/77/39/608207739.db2.gz HUBFKYVMLXDANO-UHFFFAOYSA-N 2 1 378.484 2.395 20 0 GEADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(-c4nn[nH]n4)o3)CC2)CC1 ZINC000826022267 608740996 /nfs/dbraw/zinc/74/09/96/608740996.db2.gz HWELSRDTYHNDEL-UHFFFAOYSA-N 2 1 387.532 2.088 20 0 GEADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000826509108 609381479 /nfs/dbraw/zinc/38/14/79/609381479.db2.gz LRCCRLORSHTGSA-MRXNPFEDSA-N 2 1 384.509 2.175 20 0 GEADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824627338 609407435 /nfs/dbraw/zinc/40/74/35/609407435.db2.gz XDOWKXHMSZCGAG-QRWLVFNGSA-N 2 1 378.480 2.284 20 0 GEADMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000510954274 650521952 /nfs/dbraw/zinc/52/19/52/650521952.db2.gz XXLGWIZYGCIRLM-WFASDCNBSA-N 2 1 377.913 2.077 20 0 GEADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000513884877 650570802 /nfs/dbraw/zinc/57/08/02/650570802.db2.gz GSNICPRZNFBJNV-FUHWJXTLSA-N 2 1 386.323 2.047 20 0 GEADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000513884877 650570803 /nfs/dbraw/zinc/57/08/03/650570803.db2.gz GSNICPRZNFBJNV-FUHWJXTLSA-N 2 1 386.323 2.047 20 0 GEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000532235999 650746673 /nfs/dbraw/zinc/74/66/73/650746673.db2.gz UMPLTVUCKYBJKU-DOTOQJQBSA-N 2 1 385.599 2.395 20 0 GEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000127162830 643760705 /nfs/dbraw/zinc/76/07/05/643760705.db2.gz UMPLTVUCKYBJKU-WBVHZDCISA-N 2 1 385.599 2.395 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)cn1C ZINC000499499612 650885543 /nfs/dbraw/zinc/88/55/43/650885543.db2.gz QLKUAQWPIQGTQP-OAHLLOKOSA-N 2 1 385.350 2.276 20 0 GEADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000545853524 650981864 /nfs/dbraw/zinc/98/18/64/650981864.db2.gz GKOBXNJIPGPHRW-SFHVURJKSA-N 2 1 382.346 2.070 20 0 GEADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000545853524 650981868 /nfs/dbraw/zinc/98/18/68/650981868.db2.gz GKOBXNJIPGPHRW-SFHVURJKSA-N 2 1 382.346 2.070 20 0 GEADMP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000324147231 647300410 /nfs/dbraw/zinc/30/04/10/647300410.db2.gz LMVWXMJMLRLZGM-YJBOKZPZSA-N 2 1 380.330 2.468 20 0 GEADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000324147231 647300414 /nfs/dbraw/zinc/30/04/14/647300414.db2.gz LMVWXMJMLRLZGM-YJBOKZPZSA-N 2 1 380.330 2.468 20 0 GEADMP O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000333764199 647481677 /nfs/dbraw/zinc/48/16/77/647481677.db2.gz DDEXQODQMREBDJ-CQSZACIVSA-N 2 1 391.990 2.488 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@H]2CCC[C@@H]21 ZINC000375803488 647834354 /nfs/dbraw/zinc/83/43/54/647834354.db2.gz CQUVMQAZJMPNIW-ILXRZTDVSA-N 2 1 383.480 2.010 20 0 GEADMP [NH3+][C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000417895299 648265269 /nfs/dbraw/zinc/26/52/69/648265269.db2.gz URADIBNZBGUQCR-HNNXBMFYSA-N 2 1 381.318 2.156 20 0 GEADMP C[C@@H](C[NH3+])N(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417898227 648265526 /nfs/dbraw/zinc/26/55/26/648265526.db2.gz YWQVXTAGOIGUJH-ZDUSSCGKSA-N 2 1 383.334 2.402 20 0 GEADMP C[C@H](NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000420350447 648413319 /nfs/dbraw/zinc/41/33/19/648413319.db2.gz SVDSKODFJCARPM-ZFWWWQNUSA-N 2 1 385.339 2.150 20 0 GEADMP C[C@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000420350447 648413326 /nfs/dbraw/zinc/41/33/26/648413326.db2.gz SVDSKODFJCARPM-ZFWWWQNUSA-N 2 1 385.339 2.150 20 0 GEADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCOc3cccc(Br)c3)C2)nn1 ZINC000420384059 648414955 /nfs/dbraw/zinc/41/49/55/648414955.db2.gz RDXVQSNSEFDVBH-OAHLLOKOSA-N 2 1 380.290 2.215 20 0 GEADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423531188 648594804 /nfs/dbraw/zinc/59/48/04/648594804.db2.gz ZPKBSSJAJXKHOA-ROUUACIJSA-N 2 1 382.346 2.410 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@H]2CCC[C@@H]21 ZINC000556913849 651256938 /nfs/dbraw/zinc/25/69/38/651256938.db2.gz WNBNYZOAQJJQMN-YVSFHVDLSA-N 2 1 383.583 2.221 20 0 GEADMP Cc1cc(I)ccc1NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603435812 651492510 /nfs/dbraw/zinc/49/25/10/651492510.db2.gz ZNHFOJWGKXQVPY-STQMWFEESA-N 2 1 387.265 2.254 20 0 GEADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1ccc(Cl)c(Cl)c1 ZINC000647517805 651749645 /nfs/dbraw/zinc/74/96/45/651749645.db2.gz GGCRUXQJTBORCF-KBPBESRZSA-N 2 1 377.312 2.170 20 0 GEADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(Br)cn1 ZINC000649417966 651825651 /nfs/dbraw/zinc/82/56/51/651825651.db2.gz RLPPUJHHWVSFKQ-KGLIPLIRSA-N 2 1 381.318 2.494 20 0 GEADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000571563196 651840588 /nfs/dbraw/zinc/84/05/88/651840588.db2.gz UMVSVTTYQFYBAE-ZIAGYGMSSA-N 2 1 396.329 2.463 20 0 GEADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000571563196 651840593 /nfs/dbraw/zinc/84/05/93/651840593.db2.gz UMVSVTTYQFYBAE-ZIAGYGMSSA-N 2 1 396.329 2.463 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000571563195 651840644 /nfs/dbraw/zinc/84/06/44/651840644.db2.gz UMVSVTTYQFYBAE-UONOGXRCSA-N 2 1 396.329 2.463 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000571563195 651840645 /nfs/dbraw/zinc/84/06/45/651840645.db2.gz UMVSVTTYQFYBAE-UONOGXRCSA-N 2 1 396.329 2.463 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)COc1cccc(Br)c1 ZINC000617503304 651954630 /nfs/dbraw/zinc/95/46/30/651954630.db2.gz DIQRQHOYYNDRIN-AWEZNQCLSA-N 2 1 386.334 2.216 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)COc1cccc(Br)c1 ZINC000617503304 651954635 /nfs/dbraw/zinc/95/46/35/651954635.db2.gz DIQRQHOYYNDRIN-AWEZNQCLSA-N 2 1 386.334 2.216 20 0 GEADMP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000573742165 651976966 /nfs/dbraw/zinc/97/69/66/651976966.db2.gz WIRZFYMSDYHFQJ-AEFFLSMTSA-N 2 1 385.346 2.253 20 0 GEADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000573742165 651976972 /nfs/dbraw/zinc/97/69/72/651976972.db2.gz WIRZFYMSDYHFQJ-AEFFLSMTSA-N 2 1 385.346 2.253 20 0 GEADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000573742165 651976975 /nfs/dbraw/zinc/97/69/75/651976975.db2.gz WIRZFYMSDYHFQJ-AEFFLSMTSA-N 2 1 385.346 2.253 20 0 GEADMP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000573742165 651976981 /nfs/dbraw/zinc/97/69/81/651976981.db2.gz WIRZFYMSDYHFQJ-AEFFLSMTSA-N 2 1 385.346 2.253 20 0 GEADMP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000577211171 652170526 /nfs/dbraw/zinc/17/05/26/652170526.db2.gz PTLBIQPTRZYSAQ-UHFFFAOYSA-N 2 1 385.961 2.391 20 0 GEADMP COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1Br ZINC000628051374 652447548 /nfs/dbraw/zinc/44/75/48/652447548.db2.gz DKKARKKSJVYPBA-ZDUSSCGKSA-N 2 1 386.334 2.460 20 0 GEADMP COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1Br ZINC000628051374 652447554 /nfs/dbraw/zinc/44/75/54/652447554.db2.gz DKKARKKSJVYPBA-ZDUSSCGKSA-N 2 1 386.334 2.460 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250117 652454232 /nfs/dbraw/zinc/45/42/32/652454232.db2.gz YHACZYUDRGBIMC-AWEZNQCLSA-N 2 1 382.302 2.149 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250117 652454236 /nfs/dbraw/zinc/45/42/36/652454236.db2.gz YHACZYUDRGBIMC-AWEZNQCLSA-N 2 1 382.302 2.149 20 0 GEADMP [NH3+][C@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1Br ZINC000662397624 652459077 /nfs/dbraw/zinc/45/90/77/652459077.db2.gz IVHYLNPWUYHFQF-INIZCTEOSA-N 2 1 377.286 2.140 20 0 GEADMP [NH3+][C@H](C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1Br ZINC000662574194 652468465 /nfs/dbraw/zinc/46/84/65/652468465.db2.gz JFLYRLZPNZGVRB-IKGGRYGDSA-N 2 1 396.329 2.194 20 0 GEADMP C[NH2+][C@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000662748349 652472906 /nfs/dbraw/zinc/47/29/06/652472906.db2.gz QNXZRZJTBPSTCD-KRWDZBQOSA-N 2 1 387.355 2.396 20 0 GEADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662756059 652473614 /nfs/dbraw/zinc/47/36/14/652473614.db2.gz HGRWMPFSBHSOBB-GUYCJALGSA-N 2 1 387.355 2.396 20 0 GEADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1cccc(Br)c1 ZINC000663364551 652495276 /nfs/dbraw/zinc/49/52/76/652495276.db2.gz RTCAOAAIYPTDDH-IAGOWNOFSA-N 2 1 399.329 2.032 20 0 GEADMP O[C@@]1(C[NH2+]CCCn2cc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000634715167 652658209 /nfs/dbraw/zinc/65/82/09/652658209.db2.gz YUFUOFHQJPODIM-GOSISDBHSA-N 2 1 393.329 2.262 20 0 GEADMP O[C@@]1(C[NH2+]CCCn2cc(Br)cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715167 652658214 /nfs/dbraw/zinc/65/82/14/652658214.db2.gz YUFUOFHQJPODIM-GOSISDBHSA-N 2 1 393.329 2.262 20 0 GEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)CC1 ZINC000639757128 652952156 /nfs/dbraw/zinc/95/21/56/652952156.db2.gz GMLZUUNLZWLJBM-UHFFFAOYSA-N 2 1 391.313 2.375 20 0 GEADMP Cc1ccnc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1Br ZINC000876646068 653440791 /nfs/dbraw/zinc/44/07/91/653440791.db2.gz RETXITBGRBCICC-UHFFFAOYSA-N 2 1 383.334 2.042 20 0 GEADMP C[C@H]([NH3+])CN(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000861613164 653662394 /nfs/dbraw/zinc/66/23/94/653662394.db2.gz XPARLDLGETXQIR-ZDUSSCGKSA-N 2 1 383.334 2.402 20 0 GEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000879581770 653673668 /nfs/dbraw/zinc/67/36/68/653673668.db2.gz NUUOTYBMHDAFPF-SRCQZFHVSA-N 2 1 387.293 2.354 20 0 GEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000879581770 653673672 /nfs/dbraw/zinc/67/36/72/653673672.db2.gz NUUOTYBMHDAFPF-SRCQZFHVSA-N 2 1 387.293 2.354 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000879581770 653673676 /nfs/dbraw/zinc/67/36/76/653673676.db2.gz NUUOTYBMHDAFPF-SRCQZFHVSA-N 2 1 387.293 2.354 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000879581770 653673681 /nfs/dbraw/zinc/67/36/81/653673681.db2.gz NUUOTYBMHDAFPF-SRCQZFHVSA-N 2 1 387.293 2.354 20 0 GEADMP Cn1nc(Br)cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000785512641 653711122 /nfs/dbraw/zinc/71/11/22/653711122.db2.gz AZAMPOABLRPVEE-INIZCTEOSA-N 2 1 379.302 2.039 20 0 GEADMP Cn1nc(Br)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000785514351 653711159 /nfs/dbraw/zinc/71/11/59/653711159.db2.gz OLJTVIHQAQVVMV-MRXNPFEDSA-N 2 1 393.329 2.429 20 0 GEADMP Cn1nc(Br)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000785514351 653711163 /nfs/dbraw/zinc/71/11/63/653711163.db2.gz OLJTVIHQAQVVMV-MRXNPFEDSA-N 2 1 393.329 2.429 20 0 GEADMP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1nc(Br)cs1 ZINC000817972699 653723100 /nfs/dbraw/zinc/72/31/00/653723100.db2.gz NUTFQAZWTWPSTK-DTWKUNHWSA-N 2 1 387.269 2.392 20 0 GEADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000818997496 653740356 /nfs/dbraw/zinc/74/03/56/653740356.db2.gz BUNPPPFZEDYNGS-SJORKVTESA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000818997496 653740359 /nfs/dbraw/zinc/74/03/59/653740359.db2.gz BUNPPPFZEDYNGS-SJORKVTESA-N 2 1 398.345 2.015 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1(C)C ZINC000819286437 653747968 /nfs/dbraw/zinc/74/79/68/653747968.db2.gz HXOPVXAQUFJCBP-MRXNPFEDSA-N 2 1 388.325 2.237 20 0 GEADMP [NH3+][C@@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Br)cc1 ZINC000884212963 653868287 /nfs/dbraw/zinc/86/82/87/653868287.db2.gz QNHONANFGGXJPD-MRXNPFEDSA-N 2 1 396.329 2.210 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](CO)Cc1cccc(Br)c1 ZINC000849104205 654004228 /nfs/dbraw/zinc/00/42/28/654004228.db2.gz MCEAFYWFIQELEY-NVXWUHKLSA-N 2 1 397.361 2.198 20 0 GEADMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000849105299 654004420 /nfs/dbraw/zinc/00/44/20/654004420.db2.gz VPQTUSBZGFJWMU-JKSUJKDBSA-N 2 1 381.318 2.141 20 0 GEADMP COc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc(I)c1OC ZINC000904406520 654309835 /nfs/dbraw/zinc/30/98/35/654309835.db2.gz XSWCTZOGIMJCJE-LLVKDONJSA-N 2 1 390.265 2.479 20 0 GEADMP CC[N@@H+](CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)CCC(F)(F)F ZINC000891857212 654315318 /nfs/dbraw/zinc/31/53/18/654315318.db2.gz RWHNKHHDBMCJOW-QWRGUYRKSA-N 2 1 378.361 2.039 20 0 GEADMP O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923354666 654445967 /nfs/dbraw/zinc/44/59/67/654445967.db2.gz CWESAIJBCTXDSN-DOTOQJQBSA-N 2 1 387.293 2.403 20 0 GEADMP O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923354666 654445973 /nfs/dbraw/zinc/44/59/73/654445973.db2.gz CWESAIJBCTXDSN-DOTOQJQBSA-N 2 1 387.293 2.403 20 0 GEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(I)cc2)CC[C@H]1C[NH3+] ZINC000923505998 654457606 /nfs/dbraw/zinc/45/76/06/654457606.db2.gz DUZULQDYDUODLG-NEPJUHHUSA-N 2 1 387.265 2.146 20 0 GEADMP Ic1cnn2c1C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923549552 654467879 /nfs/dbraw/zinc/46/78/79/654467879.db2.gz LPAVENJNGLCCLN-YHWZYXNKSA-N 2 1 386.281 2.224 20 0 GEADMP Ic1cnn2c1C[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923549552 654467881 /nfs/dbraw/zinc/46/78/81/654467881.db2.gz LPAVENJNGLCCLN-YHWZYXNKSA-N 2 1 386.281 2.224 20 0 GEADMP C[NH+](C)Cc1ccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1Br ZINC000907636951 654562608 /nfs/dbraw/zinc/56/26/08/654562608.db2.gz VMUAARQXMMLMHW-QGZVFWFLSA-N 2 1 384.318 2.296 20 0 GEADMP C[NH+](C)Cc1ccc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc1Br ZINC000907636951 654562614 /nfs/dbraw/zinc/56/26/14/654562614.db2.gz VMUAARQXMMLMHW-QGZVFWFLSA-N 2 1 384.318 2.296 20 0 GEADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911842398 654734059 /nfs/dbraw/zinc/73/40/59/654734059.db2.gz VJGRHZSYKBMMKN-KRWDZBQOSA-N 2 1 396.329 2.448 20 0 GEADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])c1ccccc1I ZINC000911867021 654734598 /nfs/dbraw/zinc/73/45/98/654734598.db2.gz GEFDOLOLMBGTNM-KBPBESRZSA-N 2 1 389.281 2.123 20 0 GEADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1C ZINC000153175861 719441506 /nfs/dbraw/zinc/44/15/06/719441506.db2.gz RPISOJQSQUQREL-HZPDHXFCSA-N 2 1 387.553 2.423 20 0 GEADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c1C ZINC000153175861 719441513 /nfs/dbraw/zinc/44/15/13/719441513.db2.gz RPISOJQSQUQREL-HZPDHXFCSA-N 2 1 387.553 2.423 20 0 GEADMP c1csc(C[N@H+]2CCOC3(CCN(c4ncnc5c4CC[NH2+]C5)CC3)C2)c1 ZINC001164696118 719889199 /nfs/dbraw/zinc/88/91/99/719889199.db2.gz YANXVPHNKGLRJA-UHFFFAOYSA-N 2 1 385.537 2.055 20 0 GEADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001164816790 720152640 /nfs/dbraw/zinc/15/26/40/720152640.db2.gz MTTNXJRGCJSSDR-AUSIDOKSSA-N 3 1 399.583 2.194 20 0 GEADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164816790 720152642 /nfs/dbraw/zinc/15/26/42/720152642.db2.gz MTTNXJRGCJSSDR-AUSIDOKSSA-N 2 1 399.583 2.194 20 0 GEADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164816790 720152644 /nfs/dbraw/zinc/15/26/44/720152644.db2.gz MTTNXJRGCJSSDR-AUSIDOKSSA-N 2 1 399.583 2.194 20 0 GEADMP Cn1nnc2c1CCN(c1cc(C3CC3)cc[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718242 720185737 /nfs/dbraw/zinc/18/57/37/720185737.db2.gz NWHVAOMECAUWAX-LJQANCHMSA-N 2 1 382.512 2.304 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164726427 720420846 /nfs/dbraw/zinc/42/08/46/720420846.db2.gz CBRJHYIPKQCSGN-UXHICEINSA-N 2 1 378.524 2.257 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)[nH+]2)CC1 ZINC001164726427 720420854 /nfs/dbraw/zinc/42/08/54/720420854.db2.gz CBRJHYIPKQCSGN-UXHICEINSA-N 3 1 378.524 2.257 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)[nH+]2)CC1 ZINC001164726427 720420861 /nfs/dbraw/zinc/42/08/61/720420861.db2.gz CBRJHYIPKQCSGN-UXHICEINSA-N 3 1 378.524 2.257 20 0 GEADMP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(N(C)C)[nH+]1 ZINC001164840026 720514133 /nfs/dbraw/zinc/51/41/33/720514133.db2.gz VUQODFLDXSGMKM-CEXWTWQISA-N 2 1 383.544 2.425 20 0 GEADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164840026 720514142 /nfs/dbraw/zinc/51/41/42/720514142.db2.gz VUQODFLDXSGMKM-CEXWTWQISA-N 2 1 383.544 2.425 20 0 GEADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164840026 720514144 /nfs/dbraw/zinc/51/41/44/720514144.db2.gz VUQODFLDXSGMKM-CEXWTWQISA-N 2 1 383.544 2.425 20 0 GEADMP Cc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164866896 721053081 /nfs/dbraw/zinc/05/30/81/721053081.db2.gz GUECCKFYQNCEJQ-VQTJNVASSA-N 2 1 394.523 2.260 20 0 GEADMP CC(C)Oc1cc[nH+]c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1 ZINC001164996253 722234166 /nfs/dbraw/zinc/23/41/66/722234166.db2.gz AIIYGHZFVJTMCF-UHFFFAOYSA-N 2 1 382.512 2.016 20 0 GEADMP COc1ccc(Br)cc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171658073 531910391 /nfs/dbraw/zinc/91/03/91/531910391.db2.gz CWQXNTHLZMIFGC-UHFFFAOYSA-N 2 1 398.345 2.348 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178667631 532209371 /nfs/dbraw/zinc/20/93/71/532209371.db2.gz AIWDESWNSITFRQ-MRXNPFEDSA-N 2 1 396.329 2.417 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)c[nH]c1=O ZINC000621821123 532368707 /nfs/dbraw/zinc/36/87/07/532368707.db2.gz NQIMUXCSJBOPPL-CQSZACIVSA-N 2 1 399.333 2.038 20 0 GEADMP CC[N@@H+](C)C[C@@H](O)CN(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000519177300 532458102 /nfs/dbraw/zinc/45/81/02/532458102.db2.gz ZXAGLWFVYQSYTE-CQSZACIVSA-N 2 1 385.306 2.053 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]Cc2cnc3ccc(Br)cn23)CC1(C)C ZINC000282461979 532467871 /nfs/dbraw/zinc/46/78/71/532467871.db2.gz TZISLRCEWPSPCU-UHFFFAOYSA-N 2 1 380.334 2.212 20 0 GEADMP Brc1cc2cccnc2c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000519605635 532470836 /nfs/dbraw/zinc/47/08/36/532470836.db2.gz LXWOKTLJDYGXQK-QGZVFWFLSA-N 2 1 375.314 2.477 20 0 GEADMP CCc1nc(C[NH+]2CCC(CNC(=O)C[C@@H]3CSCC[NH2+]3)CC2)cs1 ZINC000237042794 532503001 /nfs/dbraw/zinc/50/30/01/532503001.db2.gz SDLSPERPRTXLML-OAHLLOKOSA-N 2 1 382.599 2.129 20 0 GEADMP COc1ccc(Br)c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000470013207 532518098 /nfs/dbraw/zinc/51/80/98/532518098.db2.gz NARDVQQPMQSZLJ-AWEZNQCLSA-N 2 1 396.329 2.102 20 0 GEADMP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNC[C@H]1CCC[N@@H+]1C ZINC000296599082 532531040 /nfs/dbraw/zinc/53/10/40/532531040.db2.gz YFDLRXCUNZPNAO-IUODEOHRSA-N 2 1 384.318 2.146 20 0 GEADMP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNC[C@H]1CCC[N@H+]1C ZINC000296599082 532531042 /nfs/dbraw/zinc/53/10/42/532531042.db2.gz YFDLRXCUNZPNAO-IUODEOHRSA-N 2 1 384.318 2.146 20 0 GEADMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000376018922 532591321 /nfs/dbraw/zinc/59/13/21/532591321.db2.gz LZYJQOLBQHXKBH-VXGBXAGGSA-N 2 1 387.347 2.203 20 0 GEADMP CC(C)[C@@](C)(C[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595924041 532576860 /nfs/dbraw/zinc/57/68/60/532576860.db2.gz GDHJNNWXBDYIBM-CYBMUJFWSA-N 2 1 393.294 2.059 20 0 GEADMP CC(C)[C@](C)(C[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595924042 532576929 /nfs/dbraw/zinc/57/69/29/532576929.db2.gz GDHJNNWXBDYIBM-ZDUSSCGKSA-N 2 1 393.294 2.059 20 0 GEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000638131294 532681701 /nfs/dbraw/zinc/68/17/01/532681701.db2.gz ARYAZLZVAZAYDH-INIZCTEOSA-N 2 1 396.333 2.425 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)nc1 ZINC000266935346 532730266 /nfs/dbraw/zinc/73/02/66/532730266.db2.gz OLKWSXTZOBVRHF-HNNXBMFYSA-N 2 1 383.334 2.332 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442792175 532735183 /nfs/dbraw/zinc/73/51/83/532735183.db2.gz PHNDQXOFAQRJRG-WOPDTQHZSA-N 2 1 387.265 2.287 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442792175 532735189 /nfs/dbraw/zinc/73/51/89/532735189.db2.gz PHNDQXOFAQRJRG-WOPDTQHZSA-N 2 1 387.265 2.287 20 0 GEADMP C[C@H](CC[NH+]1CCSC[C@H]1CCO)CC[N@H+]1CCSC[C@@H]1CCO ZINC000411315209 532756052 /nfs/dbraw/zinc/75/60/52/532756052.db2.gz HMWAEMFVIHJOQN-NNZMDNLPSA-N 2 1 376.632 2.002 20 0 GEADMP C[C@@H](CC[NH+]1CCSC[C@@H]1CCO)CC[N@@H+]1CCSC[C@H]1CCO ZINC000411315209 532756058 /nfs/dbraw/zinc/75/60/58/532756058.db2.gz HMWAEMFVIHJOQN-NNZMDNLPSA-N 2 1 376.632 2.002 20 0 GEADMP C[C@@H](CC[NH+]1CCSC[C@@H]1CCO)CC[N@H+]1CCSC[C@H]1CCO ZINC000411315209 532756060 /nfs/dbraw/zinc/75/60/60/532756060.db2.gz HMWAEMFVIHJOQN-NNZMDNLPSA-N 2 1 376.632 2.002 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000581006784 532753007 /nfs/dbraw/zinc/75/30/07/532753007.db2.gz QEJTYOBFLPQEEZ-HNNXBMFYSA-N 2 1 377.312 2.434 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCO)c2ccccc2Br)CC1 ZINC000411513977 532765168 /nfs/dbraw/zinc/76/51/68/532765168.db2.gz WBVZVHLELBIFQW-KRWDZBQOSA-N 2 1 398.345 2.063 20 0 GEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(I)cc3)C[C@H]21 ZINC000584529914 532768412 /nfs/dbraw/zinc/76/84/12/532768412.db2.gz FFFIQNJNFYOYMI-NILFDRSVSA-N 2 1 399.276 2.289 20 0 GEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(I)cc3)C[C@H]21 ZINC000584529914 532768415 /nfs/dbraw/zinc/76/84/15/532768415.db2.gz FFFIQNJNFYOYMI-NILFDRSVSA-N 2 1 399.276 2.289 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000414750050 532834634 /nfs/dbraw/zinc/83/46/34/532834634.db2.gz QKHQQVZPNNOHLV-WMLDXEAASA-N 2 1 396.329 2.020 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000414750050 532834637 /nfs/dbraw/zinc/83/46/37/532834637.db2.gz QKHQQVZPNNOHLV-WMLDXEAASA-N 2 1 396.329 2.020 20 0 GEADMP O=C1N[C@@H]2C[N@H+](Cc3ccccc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415144140 532838928 /nfs/dbraw/zinc/83/89/28/532838928.db2.gz UOBUDACHEFPNOR-SJORKVTESA-N 2 1 393.329 2.169 20 0 GEADMP O=C1N[C@@H]2C[N@@H+](Cc3ccccc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415144140 532838930 /nfs/dbraw/zinc/83/89/30/532838930.db2.gz UOBUDACHEFPNOR-SJORKVTESA-N 2 1 393.329 2.169 20 0 GEADMP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCN1C1CCOCC1 ZINC000359893596 206267182 /nfs/dbraw/zinc/26/71/82/206267182.db2.gz DULCKRSPZSEPMK-VXSCBNMQSA-N 2 1 383.536 2.267 20 0 GEADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415499421 532847953 /nfs/dbraw/zinc/84/79/53/532847953.db2.gz ORVIOVPIIQUSCH-AWEZNQCLSA-N 2 1 399.333 2.083 20 0 GEADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821087354 599329987 /nfs/dbraw/zinc/32/99/87/599329987.db2.gz AFLJKIWUJFBWAL-MRXNPFEDSA-N 2 1 395.515 2.055 20 0 GEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821087354 599329989 /nfs/dbraw/zinc/32/99/89/599329989.db2.gz AFLJKIWUJFBWAL-MRXNPFEDSA-N 2 1 395.515 2.055 20 0 GEADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821087354 599329990 /nfs/dbraw/zinc/32/99/90/599329990.db2.gz AFLJKIWUJFBWAL-MRXNPFEDSA-N 2 1 395.515 2.055 20 0 GEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821087354 599329992 /nfs/dbraw/zinc/32/99/92/599329992.db2.gz AFLJKIWUJFBWAL-MRXNPFEDSA-N 2 1 395.515 2.055 20 0 GEADMP Cc1sc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000822556184 606111676 /nfs/dbraw/zinc/11/16/76/606111676.db2.gz ADSWDGHTCLNZNP-UHFFFAOYSA-N 2 1 391.545 2.147 20 0 GEADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000823767221 606133904 /nfs/dbraw/zinc/13/39/04/606133904.db2.gz PZISILUMUPDKFD-UHFFFAOYSA-N 2 1 380.500 2.401 20 0 GEADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625331 606722113 /nfs/dbraw/zinc/72/21/13/606722113.db2.gz LGKWRRDHULESSS-HXUWFJFHSA-N 2 1 383.544 2.249 20 0 GEADMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625331 606722114 /nfs/dbraw/zinc/72/21/14/606722114.db2.gz LGKWRRDHULESSS-HXUWFJFHSA-N 2 1 383.544 2.249 20 0 GEADMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625331 606722115 /nfs/dbraw/zinc/72/21/15/606722115.db2.gz LGKWRRDHULESSS-HXUWFJFHSA-N 2 1 383.544 2.249 20 0 GEADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000820722673 606890638 /nfs/dbraw/zinc/89/06/38/606890638.db2.gz LJJPQOBPVKGCRE-XLIONFOSSA-N 2 1 384.528 2.344 20 0 GEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000820722673 606890639 /nfs/dbraw/zinc/89/06/39/606890639.db2.gz LJJPQOBPVKGCRE-XLIONFOSSA-N 2 1 384.528 2.344 20 0 GEADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623859 607171885 /nfs/dbraw/zinc/17/18/85/607171885.db2.gz UQDIIKHRSXALPU-IEBWSBKVSA-N 2 1 378.484 2.104 20 0 GEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623859 607171886 /nfs/dbraw/zinc/17/18/86/607171886.db2.gz UQDIIKHRSXALPU-IEBWSBKVSA-N 2 1 378.484 2.104 20 0 GEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623859 607171887 /nfs/dbraw/zinc/17/18/87/607171887.db2.gz UQDIIKHRSXALPU-IEBWSBKVSA-N 2 1 378.484 2.104 20 0 GEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623859 607171888 /nfs/dbraw/zinc/17/18/88/607171888.db2.gz UQDIIKHRSXALPU-IEBWSBKVSA-N 2 1 378.484 2.104 20 0 GEADMP COCC[N@H+](C)CCCC1CCN(c2[nH+]c(C)cc(C)c2-c2nn[nH]n2)CC1 ZINC000826158035 608304135 /nfs/dbraw/zinc/30/41/35/608304135.db2.gz XJJZVAPRFCHWDC-UHFFFAOYSA-N 2 1 387.532 2.453 20 0 GEADMP COCC[N@@H+](C)CCCC1CCN(c2[nH+]c(C)cc(C)c2-c2nn[nH]n2)CC1 ZINC000826158035 608304136 /nfs/dbraw/zinc/30/41/36/608304136.db2.gz XJJZVAPRFCHWDC-UHFFFAOYSA-N 2 1 387.532 2.453 20 0 GEADMP c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826515780 608859367 /nfs/dbraw/zinc/85/93/67/608859367.db2.gz KOFOUUZTBJHTNK-RTBURBONSA-N 2 1 376.464 2.097 20 0 GEADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824626398 609372348 /nfs/dbraw/zinc/37/23/48/609372348.db2.gz NRFHPWLLAFNICP-FOIQADDNSA-N 2 1 378.480 2.284 20 0 GEADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000826263060 609387306 /nfs/dbraw/zinc/38/73/06/609387306.db2.gz JRAAFBRTOQZYMB-QGZVFWFLSA-N 2 1 379.468 2.057 20 0 GEADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000826263060 609387309 /nfs/dbraw/zinc/38/73/09/609387309.db2.gz JRAAFBRTOQZYMB-QGZVFWFLSA-N 2 1 379.468 2.057 20 0 GEADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451147491 650090348 /nfs/dbraw/zinc/09/03/48/650090348.db2.gz RKKKSYRRDZNFJO-CVEARBPZSA-N 2 1 381.533 2.100 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451147491 650090349 /nfs/dbraw/zinc/09/03/49/650090349.db2.gz RKKKSYRRDZNFJO-CVEARBPZSA-N 2 1 381.533 2.100 20 0 GEADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000501743238 650396907 /nfs/dbraw/zinc/39/69/07/650396907.db2.gz CKORYSDUIWUGCQ-QGZVFWFLSA-N 2 1 398.345 2.060 20 0 GEADMP CC[N@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000501743238 650396909 /nfs/dbraw/zinc/39/69/09/650396909.db2.gz CKORYSDUIWUGCQ-QGZVFWFLSA-N 2 1 398.345 2.060 20 0 GEADMP CC(C)C[C@H]([NH2+]Cc1cccc(O)c1Br)C(=O)NCC[NH+](C)C ZINC000459446380 650424496 /nfs/dbraw/zinc/42/44/96/650424496.db2.gz FIDNNIUPAWJISY-AWEZNQCLSA-N 2 1 386.334 2.337 20 0 GEADMP COCC[NH+]1CCC([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000462039767 650464927 /nfs/dbraw/zinc/46/49/27/650464927.db2.gz ZOBHADSTGFEQNA-UHFFFAOYSA-N 2 1 398.345 2.269 20 0 GEADMP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000479070964 650595437 /nfs/dbraw/zinc/59/54/37/650595437.db2.gz QVIPTNBROMNCNS-DOMZBBRYSA-N 2 1 376.282 2.124 20 0 GEADMP [NH3+]CC[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000070170585 643049223 /nfs/dbraw/zinc/04/92/23/643049223.db2.gz KOTADFVPIBENAA-CYBMUJFWSA-N 2 1 375.332 2.284 20 0 GEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000070170585 643049225 /nfs/dbraw/zinc/04/92/25/643049225.db2.gz KOTADFVPIBENAA-CYBMUJFWSA-N 2 1 375.332 2.284 20 0 GEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000105477101 643207005 /nfs/dbraw/zinc/20/70/05/643207005.db2.gz RZBICFOZHPGSIW-UHFFFAOYSA-N 2 1 384.318 2.295 20 0 GEADMP CCCOc1c(Br)cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000545859668 650982096 /nfs/dbraw/zinc/98/20/96/650982096.db2.gz ZBKDSQUUANUZME-KRWDZBQOSA-N 2 1 387.318 2.403 20 0 GEADMP CCCOc1c(Br)cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000545859668 650982100 /nfs/dbraw/zinc/98/21/00/650982100.db2.gz ZBKDSQUUANUZME-KRWDZBQOSA-N 2 1 387.318 2.403 20 0 GEADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000261772351 645598859 /nfs/dbraw/zinc/59/88/59/645598859.db2.gz WZCQOJFUPCJLNP-LBPRGKRZSA-N 2 1 387.311 2.109 20 0 GEADMP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280276724 646666802 /nfs/dbraw/zinc/66/68/02/646666802.db2.gz LIIREDKVGRYJCK-INIZCTEOSA-N 2 1 391.965 2.257 20 0 GEADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280276724 646666805 /nfs/dbraw/zinc/66/68/05/646666805.db2.gz LIIREDKVGRYJCK-INIZCTEOSA-N 2 1 391.965 2.257 20 0 GEADMP C[C@@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC[NH2+]1 ZINC000332122499 647413837 /nfs/dbraw/zinc/41/38/37/647413837.db2.gz AIIRVTDKEJSQBR-ZIAGYGMSSA-N 2 1 389.924 2.174 20 0 GEADMP C[C@H](CC[NH3+])NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417899033 648265601 /nfs/dbraw/zinc/26/56/01/648265601.db2.gz ZVHIWMZRPKQKCY-CYBMUJFWSA-N 2 1 383.334 2.450 20 0 GEADMP Brc1cc2c(cc1C[N@@H+]1CC[C@H](N3CC[NH2+]CC3)C1)OCCCO2 ZINC000420347938 648413428 /nfs/dbraw/zinc/41/34/28/648413428.db2.gz ISPPVUSKKLUOJR-HNNXBMFYSA-N 2 1 396.329 2.090 20 0 GEADMP Brc1cc2c(cc1C[N@H+]1CC[C@H](N3CC[NH2+]CC3)C1)OCCCO2 ZINC000420347938 648413431 /nfs/dbraw/zinc/41/34/31/648413431.db2.gz ISPPVUSKKLUOJR-HNNXBMFYSA-N 2 1 396.329 2.090 20 0 GEADMP C[C@H](NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC000420351027 648413540 /nfs/dbraw/zinc/41/35/40/648413540.db2.gz VPFXUYGDADSABI-ZFWWWQNUSA-N 2 1 385.339 2.150 20 0 GEADMP C[C@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC000420351027 648413546 /nfs/dbraw/zinc/41/35/46/648413546.db2.gz VPFXUYGDADSABI-ZFWWWQNUSA-N 2 1 385.339 2.150 20 0 GEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430931330 648770444 /nfs/dbraw/zinc/77/04/44/648770444.db2.gz ZKBJNTFABBZKLM-HUUCEWRRSA-N 2 1 398.345 2.346 20 0 GEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430931330 648770447 /nfs/dbraw/zinc/77/04/47/648770447.db2.gz ZKBJNTFABBZKLM-HUUCEWRRSA-N 2 1 398.345 2.346 20 0 GEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000556888541 651255925 /nfs/dbraw/zinc/25/59/25/651255925.db2.gz YITLOKXMWZZUBE-UHFFFAOYSA-N 2 1 390.347 2.061 20 0 GEADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000571283964 651823211 /nfs/dbraw/zinc/82/32/11/651823211.db2.gz JJMKDBOIEONCQA-LSDHHAIUSA-N 2 1 391.339 2.416 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(Br)c(C)nn1C ZINC000574002482 651994251 /nfs/dbraw/zinc/99/42/51/651994251.db2.gz HJKADIRQHUQNMK-OAHLLOKOSA-N 2 1 386.382 2.339 20 0 GEADMP O=C(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Br)cc1 ZINC000576934987 652155465 /nfs/dbraw/zinc/15/54/65/652155465.db2.gz ZGRFLIVOOJFJBF-HRCADAONSA-N 2 1 382.302 2.134 20 0 GEADMP O=S(=O)(NCC[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1F ZINC000579670216 652349589 /nfs/dbraw/zinc/34/95/89/652349589.db2.gz PALDGFIQHYTCQT-UHFFFAOYSA-N 2 1 389.924 2.221 20 0 GEADMP C[NH2+]C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000659468952 652358633 /nfs/dbraw/zinc/35/86/33/652358633.db2.gz DOYIMRUOBVCBBA-ZDUSSCGKSA-N 2 1 383.334 2.321 20 0 GEADMP C[C@@H]([NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000579941831 652360158 /nfs/dbraw/zinc/36/01/58/652360158.db2.gz CNCDXGNMKNGBQW-LLVKDONJSA-N 2 1 375.332 2.199 20 0 GEADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccc(Br)cn1 ZINC000662293466 652455224 /nfs/dbraw/zinc/45/52/24/652455224.db2.gz SGYQXGSKPFOJHC-CQSZACIVSA-N 2 1 381.318 2.494 20 0 GEADMP C[NH+](C)[C@@]1(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)CCSC1 ZINC000662489206 652464212 /nfs/dbraw/zinc/46/42/12/652464212.db2.gz KGIVMBNMXCVOHY-CQSZACIVSA-N 2 1 390.372 2.281 20 0 GEADMP [NH3+][C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000662832260 652475786 /nfs/dbraw/zinc/47/57/86/652475786.db2.gz GYIMLMPIPYFJHJ-PBHICJAKSA-N 2 1 396.329 2.162 20 0 GEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236615 652549419 /nfs/dbraw/zinc/54/94/19/652549419.db2.gz QTVKBJBZEAGQRS-SUMWQHHRSA-N 2 1 391.313 2.122 20 0 GEADMP Cc1cc(Br)c2c(c1)CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000634997495 652681614 /nfs/dbraw/zinc/68/16/14/652681614.db2.gz MTZZNSJGTQJEBU-AWEZNQCLSA-N 2 1 380.330 2.313 20 0 GEADMP [NH3+]C/C=C\CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000669534013 652704986 /nfs/dbraw/zinc/70/49/86/652704986.db2.gz ZWFVPKFZMCJHMQ-UPHRSURJSA-N 2 1 381.318 2.228 20 0 GEADMP [NH3+]C1CC[NH+](CCc2cn(CCOc3ccc(Br)cc3)nn2)CC1 ZINC000640790313 653139165 /nfs/dbraw/zinc/13/91/65/653139165.db2.gz QGVOGYASXUWXEF-UHFFFAOYSA-N 2 1 394.317 2.085 20 0 GEADMP Cc1cc(Br)ccc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641138593 653161770 /nfs/dbraw/zinc/16/17/70/653161770.db2.gz QLRDBGVXUWITSS-UHFFFAOYSA-N 2 1 378.318 2.363 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(Br)n1 ZINC000874267093 653299045 /nfs/dbraw/zinc/29/90/45/653299045.db2.gz WSBDZTPEGZPLBC-LBPRGKRZSA-N 2 1 389.363 2.394 20 0 GEADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876778129 653447376 /nfs/dbraw/zinc/44/73/76/653447376.db2.gz XGRBXNNQELYDPH-RHSMWYFYSA-N 2 1 398.320 2.477 20 0 GEADMP NS(=O)(=O)c1cccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000876988613 653458577 /nfs/dbraw/zinc/45/85/77/653458577.db2.gz JGFAHFCSPVWTJV-INIZCTEOSA-N 2 1 379.551 2.397 20 0 GEADMP NS(=O)(=O)c1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000876988613 653458581 /nfs/dbraw/zinc/45/85/81/653458581.db2.gz JGFAHFCSPVWTJV-INIZCTEOSA-N 2 1 379.551 2.397 20 0 GEADMP COCC[N@H+](Cc1cnn2cc(Br)cnc12)CC1CC[NH+](C)CC1 ZINC000877664407 653616225 /nfs/dbraw/zinc/61/62/25/653616225.db2.gz ODTYWDMNNRLULN-UHFFFAOYSA-N 2 1 396.333 2.282 20 0 GEADMP COc1ncc(Br)cc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000865514194 653767171 /nfs/dbraw/zinc/76/71/71/653767171.db2.gz NCMDWBRMGAWVBV-UHFFFAOYSA-N 2 1 395.301 2.478 20 0 GEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843099558 653779310 /nfs/dbraw/zinc/77/93/10/653779310.db2.gz ANKNWMBGNKGYKG-XJKSGUPXSA-N 2 1 377.298 2.304 20 0 GEADMP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711167 653813925 /nfs/dbraw/zinc/81/39/25/653813925.db2.gz DFQKZUUTYKRPFO-MPESAESLSA-N 2 1 380.286 2.377 20 0 GEADMP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711167 653813928 /nfs/dbraw/zinc/81/39/28/653813928.db2.gz DFQKZUUTYKRPFO-MPESAESLSA-N 2 1 380.286 2.377 20 0 GEADMP Brc1cnc2n1C[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000898720306 653982076 /nfs/dbraw/zinc/98/20/76/653982076.db2.gz LWMHRWDZHGEKBU-GJZGRUSLSA-N 2 1 383.334 2.193 20 0 GEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](CO)Cc1ccccc1Br ZINC000849104428 654004203 /nfs/dbraw/zinc/00/42/03/654004203.db2.gz POHLEGSJKVRWOL-ZBFHGGJFSA-N 2 1 397.361 2.198 20 0 GEADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ccc(Cl)c(Cl)c1 ZINC000849113690 654005005 /nfs/dbraw/zinc/00/50/05/654005005.db2.gz REBMKOKGZGNYIX-UHFFFAOYSA-N 2 1 375.300 2.208 20 0 GEADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(Br)c1Cl ZINC000849116946 654005289 /nfs/dbraw/zinc/00/52/89/654005289.db2.gz WJXIJZBIANCXKB-UHFFFAOYSA-N 2 1 389.725 2.439 20 0 GEADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cn3cc(Cl)cc(Cl)c3n1)C2 ZINC000903493745 654241464 /nfs/dbraw/zinc/24/14/64/654241464.db2.gz WFXBUYCRYMZKSQ-BFCNOCSMSA-N 2 1 383.279 2.353 20 0 GEADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cn3cc(Cl)cc(Cl)c3n1)C2 ZINC000903493745 654241470 /nfs/dbraw/zinc/24/14/70/654241470.db2.gz WFXBUYCRYMZKSQ-BFCNOCSMSA-N 2 1 383.279 2.353 20 0 GEADMP COC[C@@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000903937224 654292411 /nfs/dbraw/zinc/29/24/11/654292411.db2.gz FJVDAQHWAFUGHD-DOTOQJQBSA-N 2 1 394.317 2.442 20 0 GEADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(Br)c(OC)s1)C2 ZINC000903978699 654294074 /nfs/dbraw/zinc/29/40/74/654294074.db2.gz LBIVWBVQMYPEPJ-WMFXKJRFSA-N 2 1 389.315 2.232 20 0 GEADMP CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904474092 654312214 /nfs/dbraw/zinc/31/22/14/654312214.db2.gz TUXKZPWRUXQDHV-YJBOKZPZSA-N 2 1 378.519 2.497 20 0 GEADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000891949662 654320147 /nfs/dbraw/zinc/32/01/47/654320147.db2.gz VSXYQFBLPBLUQS-SJLPKXTDSA-N 2 1 386.378 2.426 20 0 GEADMP Cc1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1Br ZINC000872256775 654320323 /nfs/dbraw/zinc/32/03/23/654320323.db2.gz YBNLUMNAPZZUCT-IMJJTQAJSA-N 2 1 380.286 2.124 20 0 GEADMP Cc1cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1Br ZINC000872256775 654320331 /nfs/dbraw/zinc/32/03/31/654320331.db2.gz YBNLUMNAPZZUCT-IMJJTQAJSA-N 2 1 380.286 2.124 20 0 GEADMP Cc1[nH+]ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1Br ZINC000893837116 654426590 /nfs/dbraw/zinc/42/65/90/654426590.db2.gz DJHRAOLMGORXOB-AGUYFDCRSA-N 2 1 381.318 2.070 20 0 GEADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923415428 654451724 /nfs/dbraw/zinc/45/17/24/654451724.db2.gz PQUKTQVEQQCTJR-AWEZNQCLSA-N 2 1 375.282 2.402 20 0 GEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923415428 654451726 /nfs/dbraw/zinc/45/17/26/654451726.db2.gz PQUKTQVEQQCTJR-AWEZNQCLSA-N 2 1 375.282 2.402 20 0 GEADMP C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484752 654455566 /nfs/dbraw/zinc/45/55/66/654455566.db2.gz BNTJCGANRYUTJF-NWDGAFQWSA-N 2 1 387.265 2.289 20 0 GEADMP C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923497940 654457304 /nfs/dbraw/zinc/45/73/04/654457304.db2.gz NLQSJYSVCQXMHV-CHWSQXEVSA-N 2 1 375.332 2.140 20 0 GEADMP C[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923497940 654457298 /nfs/dbraw/zinc/45/72/98/654457298.db2.gz NLQSJYSVCQXMHV-CHWSQXEVSA-N 2 1 375.332 2.140 20 0 GEADMP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(I)cc2)CC[C@@H]1C[NH3+] ZINC000923506000 654457765 /nfs/dbraw/zinc/45/77/65/654457765.db2.gz DUZULQDYDUODLG-NWDGAFQWSA-N 2 1 387.265 2.146 20 0 GEADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3ncc(Br)cc32)C1 ZINC000924966879 654529836 /nfs/dbraw/zinc/52/98/36/654529836.db2.gz UYAABCPMOHYCOK-CZUORRHYSA-N 2 1 395.345 2.399 20 0 GEADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3ncc(Br)cc32)C1 ZINC000924966879 654529840 /nfs/dbraw/zinc/52/98/40/654529840.db2.gz UYAABCPMOHYCOK-CZUORRHYSA-N 2 1 395.345 2.399 20 0 GEADMP OC[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)Cc1cc(Br)ccc1F ZINC000925688828 654548073 /nfs/dbraw/zinc/54/80/73/654548073.db2.gz QJAYCZJOIGGBTE-RYTQQMJHSA-N 2 1 383.305 2.325 20 0 GEADMP COc1cc(Br)c(C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1OC ZINC000931486878 654743945 /nfs/dbraw/zinc/74/39/45/654743945.db2.gz LOEZSITZSUBXOW-UHFFFAOYSA-N 2 1 387.318 2.355 20 0 GEADMP COc1cc2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2cc1OC ZINC001164684992 719609983 /nfs/dbraw/zinc/60/99/83/719609983.db2.gz PUHTXELGDOBBKM-UHFFFAOYSA-N 2 1 396.495 2.319 20 0 GEADMP COc1cc2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2cc1OC ZINC001164684992 719609990 /nfs/dbraw/zinc/60/99/90/719609990.db2.gz PUHTXELGDOBBKM-UHFFFAOYSA-N 2 1 396.495 2.319 20 0 GEADMP Cn1nnc2c1CCN(c1cc(C3CC3)cc[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718239 720186066 /nfs/dbraw/zinc/18/60/66/720186066.db2.gz NWHVAOMECAUWAX-IBGZPJMESA-N 2 1 382.512 2.304 20 0 GEADMP Cc1[nH]c2nc[nH+]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164833019 720321172 /nfs/dbraw/zinc/32/11/72/720321172.db2.gz VSKBWVOVYIHINY-ROUUACIJSA-N 2 1 396.539 2.486 20 0 GEADMP c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)nn2)c1 ZINC001164726794 720466393 /nfs/dbraw/zinc/46/63/93/720466393.db2.gz MAFKKCUYRXPURF-VQTJNVASSA-N 2 1 394.523 2.103 20 0 GEADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164837957 720730120 /nfs/dbraw/zinc/73/01/20/720730120.db2.gz PDGHOFWUGYJFAH-FQEVSTJZSA-N 2 1 393.535 2.423 20 0 GEADMP Nc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc[nH+]1 ZINC001164758146 720900476 /nfs/dbraw/zinc/90/04/76/720900476.db2.gz XCVIODNTMXOHCC-UGKGYDQZSA-N 2 1 394.523 2.209 20 0 GEADMP Nc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc[nH+]1 ZINC001164758146 720900480 /nfs/dbraw/zinc/90/04/80/720900480.db2.gz XCVIODNTMXOHCC-UGKGYDQZSA-N 2 1 394.523 2.209 20 0 GEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CC[NH2+]C3)[C@@H]2C ZINC001164863386 720933685 /nfs/dbraw/zinc/93/36/85/720933685.db2.gz ZPUAYFMPYANAKJ-CYBMUJFWSA-N 2 1 389.935 2.394 20 0 GEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(N3CC[NH2+]CC3)cn1)[C@H]2C ZINC001164859791 720986670 /nfs/dbraw/zinc/98/66/70/720986670.db2.gz MQBWICASBBPCLC-KRWDZBQOSA-N 2 1 383.544 2.109 20 0 GEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)C[C@@H]3C2)cn1 ZINC001164773913 721193929 /nfs/dbraw/zinc/19/39/29/721193929.db2.gz YHEZWUDWZQAAKK-SFTDATJTSA-N 2 1 380.540 2.369 20 0 GEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(C[NH+](C)C5CC5)cn4)C[C@@H]3C2)cn1 ZINC001164762514 721214138 /nfs/dbraw/zinc/21/41/38/721214138.db2.gz CPGNXZBHZDACSE-PMACEKPBSA-N 2 1 380.540 2.368 20 0 GEADMP Cn1cc(C[NH+]2CC[C@H]3CN(c4ccc(C[N@H+](C)C5CC5)cn4)C[C@@H]3C2)cn1 ZINC001164762514 721214148 /nfs/dbraw/zinc/21/41/48/721214148.db2.gz CPGNXZBHZDACSE-PMACEKPBSA-N 2 1 380.540 2.368 20 0 GEADMP Cn1cc(C[NH+]2CC[C@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)C[C@@H]3C2)cn1 ZINC001164762514 721214153 /nfs/dbraw/zinc/21/41/53/721214153.db2.gz CPGNXZBHZDACSE-PMACEKPBSA-N 2 1 380.540 2.368 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(n3)CC[NH2+]C4)C[C@@H]21 ZINC001165025437 721804786 /nfs/dbraw/zinc/80/47/86/721804786.db2.gz OHWDWBDQEJYRJE-LKUPVBHCSA-N 2 1 378.524 2.254 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164981859 722109200 /nfs/dbraw/zinc/10/92/00/722109200.db2.gz VJRHSOCBXPZHDI-PKOBYXMFSA-N 2 1 378.480 2.389 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164981859 722109202 /nfs/dbraw/zinc/10/92/02/722109202.db2.gz VJRHSOCBXPZHDI-PKOBYXMFSA-N 2 1 378.480 2.389 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1F ZINC000060348662 531840990 /nfs/dbraw/zinc/84/09/90/531840990.db2.gz LYHGDQSLMCLORD-OAHLLOKOSA-N 2 1 375.485 2.001 20 0 GEADMP C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120644792 531985488 /nfs/dbraw/zinc/98/54/88/531985488.db2.gz OXOUUDGRYBGXGA-KDOFPFPSSA-N 2 1 393.329 2.391 20 0 GEADMP O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178955770 532219044 /nfs/dbraw/zinc/21/90/44/532219044.db2.gz ZGLYUQQMUJOQRF-UHFFFAOYSA-N 2 1 392.352 2.299 20 0 GEADMP O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000178971253 532219820 /nfs/dbraw/zinc/21/98/20/532219820.db2.gz XMWZVGDEJBKXTR-UHFFFAOYSA-N 2 1 377.963 2.098 20 0 GEADMP COc1cc2[nH+]ccc(NC[C@H]3C[N@@H+](C)CCN3C)c2cc1Br ZINC000425232629 532378158 /nfs/dbraw/zinc/37/81/58/532378158.db2.gz UVSCIAPZSXPZGT-LBPRGKRZSA-N 2 1 379.302 2.086 20 0 GEADMP Cc1cc(Br)c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000516290636 532383712 /nfs/dbraw/zinc/38/37/12/532383712.db2.gz RJEXFZVAYUORIV-CYBMUJFWSA-N 2 1 386.359 2.463 20 0 GEADMP Cc1cc(N2CCC[C@H]([NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)C2=O)ccc1Br ZINC000680961461 532421249 /nfs/dbraw/zinc/42/12/49/532421249.db2.gz IHKSOAWAITZISU-CPUCHLNUSA-N 2 1 378.314 2.404 20 0 GEADMP O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1)N1CC[NH2+]CC1 ZINC000470019002 532518497 /nfs/dbraw/zinc/51/84/97/532518497.db2.gz CEBOCPCBEMKWNN-CQSZACIVSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1)N1CC[NH2+]CC1 ZINC000470019002 532518505 /nfs/dbraw/zinc/51/85/05/532518505.db2.gz CEBOCPCBEMKWNN-CQSZACIVSA-N 2 1 384.293 2.232 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430641867 532501372 /nfs/dbraw/zinc/50/13/72/532501372.db2.gz JKNQZQQOCYBUOR-RYUDHWBXSA-N 2 1 387.311 2.107 20 0 GEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCCNS(=O)(=O)c2cccs2)C1 ZINC000246430929 532539545 /nfs/dbraw/zinc/53/95/45/532539545.db2.gz MQEKKXLQHIIMFK-NVXWUHKLSA-N 2 1 379.551 2.452 20 0 GEADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261735306 532577312 /nfs/dbraw/zinc/57/73/12/532577312.db2.gz LHRPAIIHTZSSPW-SJLPKXTDSA-N 2 1 398.345 2.096 20 0 GEADMP C[C@@]1(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC[NH2+]C1 ZINC000261742073 532578358 /nfs/dbraw/zinc/57/83/58/532578358.db2.gz IOLCHRFKPXCDTK-CXAGYDPISA-N 2 1 381.318 2.494 20 0 GEADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(I)cc1 ZINC000596654401 532601407 /nfs/dbraw/zinc/60/14/07/532601407.db2.gz OAKJXADRAOMJFY-VIFPVBQESA-N 2 1 384.221 2.096 20 0 GEADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(=O)(=O)CCCCF ZINC000376326425 532606986 /nfs/dbraw/zinc/60/69/86/532606986.db2.gz ALYQMZJJEOXMRL-UHFFFAOYSA-N 2 1 377.570 2.194 20 0 GEADMP C[N@H+](C[C@H](O)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000567345878 532650983 /nfs/dbraw/zinc/65/09/83/532650983.db2.gz XNLCKWHQFBOMRA-LJQANCHMSA-N 2 1 396.373 2.458 20 0 GEADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000567345878 532650989 /nfs/dbraw/zinc/65/09/89/532650989.db2.gz XNLCKWHQFBOMRA-LJQANCHMSA-N 2 1 396.373 2.458 20 0 GEADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568513118 532679159 /nfs/dbraw/zinc/67/91/59/532679159.db2.gz CGSLHRMALCHHSW-UONOGXRCSA-N 2 1 396.329 2.463 20 0 GEADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568513118 532679165 /nfs/dbraw/zinc/67/91/65/532679165.db2.gz CGSLHRMALCHHSW-UONOGXRCSA-N 2 1 396.329 2.463 20 0 GEADMP [NH3+][C@@H](C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1Br ZINC000638785585 532687859 /nfs/dbraw/zinc/68/78/59/532687859.db2.gz DHDSVPQUTBVVON-WMLDXEAASA-N 2 1 396.329 2.066 20 0 GEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414371237 532822843 /nfs/dbraw/zinc/82/28/43/532822843.db2.gz WJMNRXVTCMFGFF-STQMWFEESA-N 2 1 390.347 2.059 20 0 GEADMP COc1ccc(Br)c(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000414753650 532834397 /nfs/dbraw/zinc/83/43/97/532834397.db2.gz MRSSOAVNNQOSKC-ZDUSSCGKSA-N 2 1 384.318 2.087 20 0 GEADMP Oc1cccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1Br ZINC000414967855 532836555 /nfs/dbraw/zinc/83/65/55/532836555.db2.gz HVEPDINWTDHNNZ-GFCCVEGCSA-N 2 1 382.224 2.080 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000414749926 532834970 /nfs/dbraw/zinc/83/49/70/532834970.db2.gz QFRYEOCMWADXJG-HNNXBMFYSA-N 2 1 388.339 2.375 20 0 GEADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000359977782 206274678 /nfs/dbraw/zinc/27/46/78/206274678.db2.gz MDLMYBPQKTZLEG-MJGOQNOKSA-N 2 1 387.532 2.040 20 0 GEADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000359977782 206274681 /nfs/dbraw/zinc/27/46/81/206274681.db2.gz MDLMYBPQKTZLEG-MJGOQNOKSA-N 2 1 387.532 2.040 20 0 GEADMP Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2=O)n1 ZINC000359998316 206278635 /nfs/dbraw/zinc/27/86/35/206278635.db2.gz LQGKXGZKUKRGRJ-HAGHYFMRSA-N 2 1 379.508 2.026 20 0 GEADMP Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2=O)n1 ZINC000359998316 206278637 /nfs/dbraw/zinc/27/86/37/206278637.db2.gz LQGKXGZKUKRGRJ-HAGHYFMRSA-N 2 1 379.508 2.026 20 0 GEADMP CS[C@@H]1CN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C[C@@H]1[NH+](C)C ZINC000371446690 532948188 /nfs/dbraw/zinc/94/81/88/532948188.db2.gz GGMFSRSIFDTCDI-DLBZAZTESA-N 2 1 382.599 2.168 20 0 GEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736509279 599487910 /nfs/dbraw/zinc/48/79/10/599487910.db2.gz CVXVJNIMNUTQFK-UHFFFAOYSA-N 2 1 376.468 2.256 20 0 GEADMP O[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681570 606893987 /nfs/dbraw/zinc/89/39/87/606893987.db2.gz GVTYPGXTTRUTFW-YLJYHZDGSA-N 2 1 384.528 2.488 20 0 GEADMP O[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681570 606893988 /nfs/dbraw/zinc/89/39/88/606893988.db2.gz GVTYPGXTTRUTFW-YLJYHZDGSA-N 2 1 384.528 2.488 20 0 GEADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824627337 609407733 /nfs/dbraw/zinc/40/77/33/609407733.db2.gz XDOWKXHMSZCGAG-MGPUTAFESA-N 2 1 378.480 2.284 20 0 GEADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000451147494 650090311 /nfs/dbraw/zinc/09/03/11/650090311.db2.gz RKKKSYRRDZNFJO-JKSUJKDBSA-N 2 1 381.533 2.100 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000451147494 650090313 /nfs/dbraw/zinc/09/03/13/650090313.db2.gz RKKKSYRRDZNFJO-JKSUJKDBSA-N 2 1 381.533 2.100 20 0 GEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510927561 650521187 /nfs/dbraw/zinc/52/11/87/650521187.db2.gz IBYONMMWBXNQLZ-TYNCELHUSA-N 2 1 377.913 2.076 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(SC)ncc1Cl ZINC000523483855 650635431 /nfs/dbraw/zinc/63/54/31/650635431.db2.gz JJUVQWNUASKNPK-ZDUSSCGKSA-N 2 1 385.965 2.340 20 0 GEADMP C[N@@H+](CCOc1ccc(Cl)cc1Br)CCN1CC[NH2+]CC1 ZINC000071150448 643059501 /nfs/dbraw/zinc/05/95/01/643059501.db2.gz POZIWOSHOFOEFC-UHFFFAOYSA-N 2 1 376.726 2.318 20 0 GEADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000179556977 644463403 /nfs/dbraw/zinc/46/34/03/644463403.db2.gz AQLCTZGOTQWPLQ-STQMWFEESA-N 2 1 380.432 2.431 20 0 GEADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@H+]1C ZINC000179556977 644463408 /nfs/dbraw/zinc/46/34/08/644463408.db2.gz AQLCTZGOTQWPLQ-STQMWFEESA-N 2 1 380.432 2.431 20 0 GEADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000545150292 650962833 /nfs/dbraw/zinc/96/28/33/650962833.db2.gz SDZNALKTRNZBBE-ZDUSSCGKSA-N 2 1 378.108 2.368 20 0 GEADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000545150292 650962835 /nfs/dbraw/zinc/96/28/35/650962835.db2.gz SDZNALKTRNZBBE-ZDUSSCGKSA-N 2 1 378.108 2.368 20 0 GEADMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000186171636 645061788 /nfs/dbraw/zinc/06/17/88/645061788.db2.gz QEEIHCKTKAHHJI-OAHLLOKOSA-N 2 1 384.318 2.360 20 0 GEADMP C[NH+](C)CCOCC[NH2+]Cc1ncc(Br)cc1Br ZINC000234257967 645406703 /nfs/dbraw/zinc/40/67/03/645406703.db2.gz BKMKLNFOZOPDJI-UHFFFAOYSA-N 2 1 381.112 2.274 20 0 GEADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261854582 645605958 /nfs/dbraw/zinc/60/59/58/645605958.db2.gz JUDVZEBXEQRXMH-JLJPHGGASA-N 2 1 380.330 2.467 20 0 GEADMP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417885402 648264675 /nfs/dbraw/zinc/26/46/75/648264675.db2.gz IWQNYZZRBVRMJH-OLZOCXBDSA-N 2 1 383.334 2.448 20 0 GEADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423329194 648589464 /nfs/dbraw/zinc/58/94/64/648589464.db2.gz FDGVLDSSFZJQAW-NHYWBVRUSA-N 2 1 390.347 2.137 20 0 GEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430931328 648770552 /nfs/dbraw/zinc/77/05/52/648770552.db2.gz ZKBJNTFABBZKLM-GJZGRUSLSA-N 2 1 398.345 2.346 20 0 GEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430931328 648770554 /nfs/dbraw/zinc/77/05/54/648770554.db2.gz ZKBJNTFABBZKLM-GJZGRUSLSA-N 2 1 398.345 2.346 20 0 GEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442887919 648851464 /nfs/dbraw/zinc/85/14/64/648851464.db2.gz CAYQBHFXJIVDBS-LALPHHSUSA-N 2 1 377.913 2.076 20 0 GEADMP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCSC1 ZINC000551389731 651123566 /nfs/dbraw/zinc/12/35/66/651123566.db2.gz HXZAVGOHWGBZFZ-XJKCOSOUSA-N 2 1 381.508 2.449 20 0 GEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)C[C@H]1CC[NH3+] ZINC000723902468 651478186 /nfs/dbraw/zinc/47/81/86/651478186.db2.gz ONYJBLOOVFNBDG-VXGBXAGGSA-N 2 1 387.265 2.146 20 0 GEADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000647825558 651762066 /nfs/dbraw/zinc/76/20/66/651762066.db2.gz FPUZPUSQPITSPI-MRXNPFEDSA-N 2 1 380.330 2.401 20 0 GEADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649346855 651823282 /nfs/dbraw/zinc/82/32/82/651823282.db2.gz QZMMSXZGVVBQHY-XYPHTWIQSA-N 2 1 378.314 2.280 20 0 GEADMP COc1cc2[nH+]ccc(N3CC([N@H+]4CC[C@@H](O)C4)C3)c2cc1Br ZINC000651449849 651881060 /nfs/dbraw/zinc/88/10/60/651881060.db2.gz SPSFDUVEQDWIBS-GFCCVEGCSA-N 2 1 378.270 2.261 20 0 GEADMP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000652357427 651916139 /nfs/dbraw/zinc/91/61/39/651916139.db2.gz OSJOVMIXSIOZDW-FRFSOERESA-N 2 1 398.345 2.092 20 0 GEADMP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000652357427 651916146 /nfs/dbraw/zinc/91/61/46/651916146.db2.gz OSJOVMIXSIOZDW-FRFSOERESA-N 2 1 398.345 2.092 20 0 GEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Br)cn2)C1 ZINC000652362469 651916917 /nfs/dbraw/zinc/91/69/17/651916917.db2.gz IAMYPTWSVMCWRB-ILXRZTDVSA-N 2 1 397.317 2.143 20 0 GEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Br)cn2)C1 ZINC000652362469 651916918 /nfs/dbraw/zinc/91/69/18/651916918.db2.gz IAMYPTWSVMCWRB-ILXRZTDVSA-N 2 1 397.317 2.143 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000617506352 651954932 /nfs/dbraw/zinc/95/49/32/651954932.db2.gz KPWVHFUKMQROHO-BBRMVZONSA-N 2 1 398.345 2.313 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000617506352 651954936 /nfs/dbraw/zinc/95/49/36/651954936.db2.gz KPWVHFUKMQROHO-BBRMVZONSA-N 2 1 398.345 2.313 20 0 GEADMP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)COc1cc(F)cc(Br)c1 ZINC000573595351 651967700 /nfs/dbraw/zinc/96/77/00/651967700.db2.gz KEMNZGSWAUURAE-BLLLJJGKSA-N 2 1 387.293 2.402 20 0 GEADMP OC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccccc1Br ZINC000655758555 652009654 /nfs/dbraw/zinc/00/96/54/652009654.db2.gz AUGSXGCGZBKMGQ-MAUKXSAKSA-N 2 1 397.357 2.443 20 0 GEADMP OC[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccccc1Br ZINC000655758553 652009864 /nfs/dbraw/zinc/00/98/64/652009864.db2.gz AUGSXGCGZBKMGQ-CRAIPNDOSA-N 2 1 397.357 2.443 20 0 GEADMP OC[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1cccc(Br)c1 ZINC000655759111 652010405 /nfs/dbraw/zinc/01/04/05/652010405.db2.gz IZBLGGIFNNGINJ-VQIMIIECSA-N 2 1 397.357 2.443 20 0 GEADMP O=C(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Br)cc1 ZINC000576934986 652155779 /nfs/dbraw/zinc/15/57/79/652155779.db2.gz ZGRFLIVOOJFJBF-BZUAXINKSA-N 2 1 382.302 2.134 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)[C@@H]2CCC[C@H]21 ZINC000658095264 652236227 /nfs/dbraw/zinc/23/62/27/652236227.db2.gz FUFZJVISHZQDRA-OFQRWUPVSA-N 2 1 381.318 2.036 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)[C@H]2CCC[C@H]21 ZINC000658095261 652236657 /nfs/dbraw/zinc/23/66/57/652236657.db2.gz FUFZJVISHZQDRA-IJEWVQPXSA-N 2 1 381.318 2.036 20 0 GEADMP CC(C)OC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000659288514 652352903 /nfs/dbraw/zinc/35/29/03/652352903.db2.gz ZWODBKSBIUPPOU-KRWDZBQOSA-N 2 1 398.345 2.282 20 0 GEADMP Cn1c(Cl)nc(Cl)c1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000752264924 652383496 /nfs/dbraw/zinc/38/34/96/652383496.db2.gz JJVYDYCFYHNYEL-UHFFFAOYSA-N 2 1 384.311 2.308 20 0 GEADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)Nc1cccc(Br)c1 ZINC000662153223 652448904 /nfs/dbraw/zinc/44/89/04/652448904.db2.gz PSPKPMFQAHPGQM-KRWDZBQOSA-N 2 1 396.329 2.309 20 0 GEADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)Nc1cccc(Br)c1 ZINC000662153223 652448907 /nfs/dbraw/zinc/44/89/07/652448907.db2.gz PSPKPMFQAHPGQM-KRWDZBQOSA-N 2 1 396.329 2.309 20 0 GEADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)Nc1ccccc1Br ZINC000662152254 652448985 /nfs/dbraw/zinc/44/89/85/652448985.db2.gz ARLKEPJZYQQTLC-OAHLLOKOSA-N 2 1 396.329 2.309 20 0 GEADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)Nc1ccccc1Br ZINC000662152254 652448989 /nfs/dbraw/zinc/44/89/89/652448989.db2.gz ARLKEPJZYQQTLC-OAHLLOKOSA-N 2 1 396.329 2.309 20 0 GEADMP Brc1ccc(CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)s1 ZINC000662257252 652454849 /nfs/dbraw/zinc/45/48/49/652454849.db2.gz BUYSRMACKMJRTL-CYBMUJFWSA-N 2 1 386.359 2.149 20 0 GEADMP [NH3+][C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Br ZINC000662357242 652457149 /nfs/dbraw/zinc/45/71/49/652457149.db2.gz UQKSWAZDKJHVLD-MRXNPFEDSA-N 2 1 375.270 2.193 20 0 GEADMP [NH3+][C@@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1ccccc1Br ZINC000662519558 652465697 /nfs/dbraw/zinc/46/56/97/652465697.db2.gz WMHIRRYIBSVSOG-ISVAXAHUSA-N 2 1 381.299 2.360 20 0 GEADMP CCO[C@H](CC[NH+](C)C)CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662535123 652466452 /nfs/dbraw/zinc/46/64/52/652466452.db2.gz DQJFFGZVAOYGRY-SNVBAGLBSA-N 2 1 390.347 2.200 20 0 GEADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000662728898 652472044 /nfs/dbraw/zinc/47/20/44/652472044.db2.gz XAFOSTVCVQUYCV-YOEHRIQHSA-N 2 1 386.323 2.438 20 0 GEADMP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000584469921 652521965 /nfs/dbraw/zinc/52/19/65/652521965.db2.gz CVROWNOCGBKSLI-BETUJISGSA-N 2 1 386.359 2.400 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1(C)C ZINC000584586215 652524208 /nfs/dbraw/zinc/52/42/08/652524208.db2.gz PQIIQIITMIWUIS-UHFFFAOYSA-N 2 1 397.361 2.393 20 0 GEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236614 652549385 /nfs/dbraw/zinc/54/93/85/652549385.db2.gz QTVKBJBZEAGQRS-GUYCJALGSA-N 2 1 391.313 2.122 20 0 GEADMP [NH3+][C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)c2ccccc21 ZINC000665236338 652549391 /nfs/dbraw/zinc/54/93/91/652549391.db2.gz KRFDCJXYBCVMLE-GOEBONIOSA-N 2 1 375.270 2.308 20 0 GEADMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1cc(Cl)cc(Cl)c1 ZINC000634719468 652659040 /nfs/dbraw/zinc/65/90/40/652659040.db2.gz UGBTVHLSHZXVOQ-MRXNPFEDSA-N 2 1 377.312 2.170 20 0 GEADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000639761569 652952196 /nfs/dbraw/zinc/95/21/96/652952196.db2.gz NKCYKUAADNJSQE-QGZVFWFLSA-N 2 1 384.318 2.166 20 0 GEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000639761569 652952199 /nfs/dbraw/zinc/95/21/99/652952199.db2.gz NKCYKUAADNJSQE-QGZVFWFLSA-N 2 1 384.318 2.166 20 0 GEADMP Cn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(Br)n1 ZINC000858187976 653353837 /nfs/dbraw/zinc/35/38/37/653353837.db2.gz NVVBPMIQDDPOLL-MRXNPFEDSA-N 2 1 379.302 2.039 20 0 GEADMP Cn1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(Br)n1 ZINC000858187976 653353842 /nfs/dbraw/zinc/35/38/42/653353842.db2.gz NVVBPMIQDDPOLL-MRXNPFEDSA-N 2 1 379.302 2.039 20 0 GEADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C[C@H](C)O1 ZINC000876730655 653444477 /nfs/dbraw/zinc/44/44/77/653444477.db2.gz IWNGRQPAKOUPAE-VBQJREDUSA-N 2 1 398.345 2.455 20 0 GEADMP C[NH2+]CCC[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000841041481 653705590 /nfs/dbraw/zinc/70/55/90/653705590.db2.gz HSVXZVBGABCJDE-UHFFFAOYSA-N 2 1 395.388 2.285 20 0 GEADMP Cc1cc(N2CCC([NH2+]Cc3cc(Br)nn3C)CC2)nc(C)[nH+]1 ZINC000785481969 653709840 /nfs/dbraw/zinc/70/98/40/653709840.db2.gz JQOUPRXWBNSNPI-UHFFFAOYSA-N 2 1 379.306 2.348 20 0 GEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000843100667 653779493 /nfs/dbraw/zinc/77/94/93/653779493.db2.gz DWOBLDCEVQQKHG-YOEHRIQHSA-N 2 1 391.325 2.478 20 0 GEADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)C2 ZINC000843116133 653779978 /nfs/dbraw/zinc/77/99/78/653779978.db2.gz WDNRWDYHFPJRHK-QAPCUYQASA-N 2 1 394.313 2.127 20 0 GEADMP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843353853 653785491 /nfs/dbraw/zinc/78/54/91/653785491.db2.gz NFDQJYYAXIECBA-UHFFFAOYSA-N 2 1 398.345 2.488 20 0 GEADMP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707701 653813301 /nfs/dbraw/zinc/81/33/01/653813301.db2.gz BHNNEHISUYWJKH-BHTHQVBYSA-N 2 1 380.286 2.377 20 0 GEADMP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707701 653813303 /nfs/dbraw/zinc/81/33/03/653813303.db2.gz BHNNEHISUYWJKH-BHTHQVBYSA-N 2 1 380.286 2.377 20 0 GEADMP Oc1cc(Br)cnc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000895339820 653828797 /nfs/dbraw/zinc/82/87/97/653828797.db2.gz YJXDYWMBIPEYMX-INIZCTEOSA-N 2 1 392.297 2.406 20 0 GEADMP [NH3+][C@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Br)cc1 ZINC000884212962 653868123 /nfs/dbraw/zinc/86/81/23/653868123.db2.gz QNHONANFGGXJPD-INIZCTEOSA-N 2 1 396.329 2.210 20 0 GEADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C[C@H](C)O1 ZINC000870860783 654200578 /nfs/dbraw/zinc/20/05/78/654200578.db2.gz QGOZCGQNOOKHQN-DVOMOZLQSA-N 2 1 384.318 2.064 20 0 GEADMP C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717652 654280833 /nfs/dbraw/zinc/28/08/33/654280833.db2.gz CRMLEJHSCXAPIX-AWEZNQCLSA-N 2 1 396.329 2.478 20 0 GEADMP C[N@H+](CC(=O)Nc1ccccc1Br)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717652 654280836 /nfs/dbraw/zinc/28/08/36/654280836.db2.gz CRMLEJHSCXAPIX-AWEZNQCLSA-N 2 1 396.329 2.478 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719449 654280896 /nfs/dbraw/zinc/28/08/96/654280896.db2.gz ZVNJZVCPLXYFST-CRAIPNDOSA-N 2 1 396.329 2.396 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719449 654280902 /nfs/dbraw/zinc/28/09/02/654280902.db2.gz ZVNJZVCPLXYFST-CRAIPNDOSA-N 2 1 396.329 2.396 20 0 GEADMP O[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]1c1ccc(Br)cc1 ZINC000903777037 654283163 /nfs/dbraw/zinc/28/31/63/654283163.db2.gz ZGUZBNRVDRCTHO-MLHJIOFPSA-N 2 1 381.314 2.325 20 0 GEADMP O[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]1c1ccc(Br)cc1 ZINC000903777037 654283164 /nfs/dbraw/zinc/28/31/64/654283164.db2.gz ZGUZBNRVDRCTHO-MLHJIOFPSA-N 2 1 381.314 2.325 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903986979 654294513 /nfs/dbraw/zinc/29/45/13/654294513.db2.gz VZPSVUYHUQVJCN-GFCCVEGCSA-N 2 1 384.293 2.144 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903986979 654294517 /nfs/dbraw/zinc/29/45/17/654294517.db2.gz VZPSVUYHUQVJCN-GFCCVEGCSA-N 2 1 384.293 2.144 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ncc1Br ZINC000855346424 654414044 /nfs/dbraw/zinc/41/40/44/654414044.db2.gz BGCHWKJORLBAEH-NSHDSACASA-N 2 1 391.741 2.499 20 0 GEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923290511 654441704 /nfs/dbraw/zinc/44/17/04/654441704.db2.gz XXKAYQPSBDPIDP-YWPYICTPSA-N 2 1 375.282 2.387 20 0 GEADMP O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923416126 654451671 /nfs/dbraw/zinc/45/16/71/654451671.db2.gz ZPIFZYFUNKZXFD-NUTKFTJISA-N 2 1 387.293 2.402 20 0 GEADMP O[C@@H](CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000923431878 654453091 /nfs/dbraw/zinc/45/30/91/654453091.db2.gz SRVLGBRVNZFZCV-OTWHNJEPSA-N 2 1 394.357 2.383 20 0 GEADMP COc1cc(Br)c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1O ZINC000894378862 654471304 /nfs/dbraw/zinc/47/13/04/654471304.db2.gz XGBASIXRVBCFMC-UHFFFAOYSA-N 2 1 386.334 2.281 20 0 GEADMP Cn1ncc(I)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000894779345 654498338 /nfs/dbraw/zinc/49/83/38/654498338.db2.gz GQBJFPONDJDVGC-ZDUSSCGKSA-N 2 1 388.297 2.188 20 0 GEADMP Cn1ncc(I)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000894779345 654498343 /nfs/dbraw/zinc/49/83/43/654498343.db2.gz GQBJFPONDJDVGC-ZDUSSCGKSA-N 2 1 388.297 2.188 20 0 GEADMP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435756 654742700 /nfs/dbraw/zinc/74/27/00/654742700.db2.gz NOHMDWVSDHESKX-QWHCGFSZSA-N 2 1 386.359 2.353 20 0 GEADMP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435756 654742703 /nfs/dbraw/zinc/74/27/03/654742703.db2.gz NOHMDWVSDHESKX-QWHCGFSZSA-N 2 1 386.359 2.353 20 0 GEADMP CN(Cc1cc(Br)cs1)C(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435756 654742705 /nfs/dbraw/zinc/74/27/05/654742705.db2.gz NOHMDWVSDHESKX-QWHCGFSZSA-N 2 1 386.359 2.353 20 0 GEADMP CN(Cc1cc(Br)cs1)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435756 654742708 /nfs/dbraw/zinc/74/27/08/654742708.db2.gz NOHMDWVSDHESKX-QWHCGFSZSA-N 2 1 386.359 2.353 20 0 GEADMP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000931482498 654743602 /nfs/dbraw/zinc/74/36/02/654743602.db2.gz VTYZUSWZGGDKBX-OAHLLOKOSA-N 2 1 375.282 2.010 20 0 GEADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[NH2+]CCO[C@H]4C3)c2c1C ZINC001164390360 718824554 /nfs/dbraw/zinc/82/45/54/718824554.db2.gz OABCYQFMXGGZCY-CVEARBPZSA-N 2 1 387.553 2.471 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2cc(N3CCC[C@H](C)C3)ncn2)c2c1CC[NH2+]C2 ZINC001164680623 719645597 /nfs/dbraw/zinc/64/55/97/719645597.db2.gz ZAKFPTUGQVLGBW-INIZCTEOSA-N 2 1 383.544 2.385 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(N3CCC[C@H](C)C3)ncn2)c2c1CC[NH2+]C2 ZINC001164680623 719645609 /nfs/dbraw/zinc/64/56/09/719645609.db2.gz ZAKFPTUGQVLGBW-INIZCTEOSA-N 2 1 383.544 2.385 20 0 GEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164807105 720125171 /nfs/dbraw/zinc/12/51/71/720125171.db2.gz BKPHHOCOYZFEPO-AVRDEDQJSA-N 2 1 399.539 2.262 20 0 GEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164807105 720125176 /nfs/dbraw/zinc/12/51/76/720125176.db2.gz BKPHHOCOYZFEPO-AVRDEDQJSA-N 2 1 399.539 2.262 20 0 GEADMP Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C1C[NH2+]C1 ZINC001164842658 720652337 /nfs/dbraw/zinc/65/23/37/720652337.db2.gz SZYLVKIESDQQME-DFQSSKMNSA-N 2 1 395.555 2.046 20 0 GEADMP Nc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc[nH+]1 ZINC001164758144 720899881 /nfs/dbraw/zinc/89/98/81/720899881.db2.gz XCVIODNTMXOHCC-KNQAVFIVSA-N 2 1 394.523 2.209 20 0 GEADMP Nc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc[nH+]1 ZINC001164758144 720899883 /nfs/dbraw/zinc/89/98/83/720899883.db2.gz XCVIODNTMXOHCC-KNQAVFIVSA-N 2 1 394.523 2.209 20 0 GEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(OC3CC[NH2+]CC3)nn1)[C@H]2C ZINC001164859029 721005157 /nfs/dbraw/zinc/00/51/57/721005157.db2.gz KNDAOTLQWXYNJK-INIZCTEOSA-N 2 1 399.543 2.225 20 0 GEADMP c1cc2c(cc[nH+]c2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)[nH]1 ZINC001164911957 721769745 /nfs/dbraw/zinc/76/97/45/721769745.db2.gz IUWYNXRYNDXKMB-NRFANRHFSA-N 2 1 379.464 2.066 20 0 GEADMP c1cc2c(cc[nH+]c2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)[nH]1 ZINC001164911957 721769750 /nfs/dbraw/zinc/76/97/50/721769750.db2.gz IUWYNXRYNDXKMB-NRFANRHFSA-N 2 1 379.464 2.066 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3CC[NH2+]C4)C[C@@H]21 ZINC001165017911 721805895 /nfs/dbraw/zinc/80/58/95/721805895.db2.gz BCLYMMLMMBRJNE-LKUPVBHCSA-N 2 1 378.524 2.254 20 0 GEADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc5c(n4)CC[NH2+]C5)CC3)C2)cc1 ZINC001164938922 721922741 /nfs/dbraw/zinc/92/27/41/721922741.db2.gz BSTQUOINNZAPMV-UHFFFAOYSA-N 2 1 393.535 2.302 20 0 GEADMP Cn1ccc2c1nc[nH+]c2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958215 722053541 /nfs/dbraw/zinc/05/35/41/722053541.db2.gz DYZZLOXAVIUKMR-UHFFFAOYSA-N 2 1 392.507 2.482 20 0 GEADMP Cn1ccc2c1nc[nH+]c2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164958215 722053543 /nfs/dbraw/zinc/05/35/43/722053543.db2.gz DYZZLOXAVIUKMR-UHFFFAOYSA-N 2 1 392.507 2.482 20 0 GEADMP C[NH+](C)Cc1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978000 722149228 /nfs/dbraw/zinc/14/92/28/722149228.db2.gz JCJPSZCSRIJOKL-RTWAWAEBSA-N 2 1 381.524 2.266 20 0 GEADMP O=C(CC[N@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccccc1Br ZINC000129678515 532181742 /nfs/dbraw/zinc/18/17/42/532181742.db2.gz ZLROJPZNSFCHJX-OAHLLOKOSA-N 2 1 396.329 2.432 20 0 GEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000185212947 532337167 /nfs/dbraw/zinc/33/71/67/532337167.db2.gz AWLGILPUERHPFK-CQSZACIVSA-N 2 1 380.286 2.440 20 0 GEADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000373615076 532460352 /nfs/dbraw/zinc/46/03/52/532460352.db2.gz GABWQXKETKILPI-QFBILLFUSA-N 2 1 396.373 2.376 20 0 GEADMP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000295817162 532479265 /nfs/dbraw/zinc/47/92/65/532479265.db2.gz XKVVXYADWKOUPJ-STQMWFEESA-N 2 1 386.334 2.250 20 0 GEADMP Cc1cc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)ccc1Br ZINC000469996467 532518874 /nfs/dbraw/zinc/51/88/74/532518874.db2.gz NVCCPKNGQIENLX-INIZCTEOSA-N 2 1 380.330 2.401 20 0 GEADMP CSc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000470014055 532519202 /nfs/dbraw/zinc/51/92/02/532519202.db2.gz UNDANINAPSRYOH-CYBMUJFWSA-N 2 1 386.359 2.458 20 0 GEADMP COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1Br ZINC000470012930 532518406 /nfs/dbraw/zinc/51/84/06/532518406.db2.gz UGPKWNDMCHFCTA-HNNXBMFYSA-N 2 1 396.329 2.102 20 0 GEADMP C[C@@H](C[NH2+]Cc1ncc(Br)cc1Cl)CN1CC[NH+](C)CC1 ZINC000631063060 532541824 /nfs/dbraw/zinc/54/18/24/532541824.db2.gz GVTZSSLNGMSMHY-LBPRGKRZSA-N 2 1 375.742 2.471 20 0 GEADMP C[N@H+](C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000565273751 532555031 /nfs/dbraw/zinc/55/50/31/532555031.db2.gz JEIPPTRLMRQHIO-QGZVFWFLSA-N 2 1 383.330 2.500 20 0 GEADMP C[N@@H+](C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000565273751 532555036 /nfs/dbraw/zinc/55/50/36/532555036.db2.gz JEIPPTRLMRQHIO-QGZVFWFLSA-N 2 1 383.330 2.500 20 0 GEADMP CCC(CC)(C[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595923711 532576763 /nfs/dbraw/zinc/57/67/63/532576763.db2.gz BHDWMMDTDOTFHB-UHFFFAOYSA-N 2 1 393.294 2.203 20 0 GEADMP COc1c(Br)cccc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000435371959 532615224 /nfs/dbraw/zinc/61/52/24/532615224.db2.gz PHAWFORRLIJSQW-HNNXBMFYSA-N 2 1 396.329 2.102 20 0 GEADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000532152566 532646658 /nfs/dbraw/zinc/64/66/58/532646658.db2.gz OCDOFDBRAYAEFV-OAHLLOKOSA-N 2 1 380.330 2.481 20 0 GEADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000532152566 532646654 /nfs/dbraw/zinc/64/66/54/532646654.db2.gz OCDOFDBRAYAEFV-OAHLLOKOSA-N 2 1 380.330 2.481 20 0 GEADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439440811 532694212 /nfs/dbraw/zinc/69/42/12/532694212.db2.gz QPSSHCAUGOZYFP-WFASDCNBSA-N 2 1 375.282 2.211 20 0 GEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439440811 532694215 /nfs/dbraw/zinc/69/42/15/532694215.db2.gz QPSSHCAUGOZYFP-WFASDCNBSA-N 2 1 375.282 2.211 20 0 GEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC000608056019 532712984 /nfs/dbraw/zinc/71/29/84/532712984.db2.gz UIKQELLQGYGSQG-UHFFFAOYSA-N 2 1 380.334 2.214 20 0 GEADMP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ncc(I)s1 ZINC000286270980 532737980 /nfs/dbraw/zinc/73/79/80/532737980.db2.gz BHXMCTSRJPOAPA-SNVBAGLBSA-N 2 1 383.299 2.194 20 0 GEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414371234 532822902 /nfs/dbraw/zinc/82/29/02/532822902.db2.gz WJMNRXVTCMFGFF-CHWSQXEVSA-N 2 1 390.347 2.059 20 0 GEADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000414759991 532834963 /nfs/dbraw/zinc/83/49/63/532834963.db2.gz POLNVAUOFDJPOB-CZUORRHYSA-N 2 1 396.329 2.402 20 0 GEADMP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000290190355 532875216 /nfs/dbraw/zinc/87/52/16/532875216.db2.gz CCPIDMGCJQKIGU-HNNXBMFYSA-N 2 1 394.361 2.460 20 0 GEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367205144 532923475 /nfs/dbraw/zinc/92/34/75/532923475.db2.gz GSAPXVBRYMHYKU-CQSZACIVSA-N 2 1 380.539 2.010 20 0 GEADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000368416301 532932093 /nfs/dbraw/zinc/93/20/93/532932093.db2.gz JBSSYMLCYYZLSG-YCPHGPKFSA-N 2 1 385.961 2.497 20 0 GEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000368416301 532932094 /nfs/dbraw/zinc/93/20/94/532932094.db2.gz JBSSYMLCYYZLSG-YCPHGPKFSA-N 2 1 385.961 2.497 20 0 GEADMP CC(C)c1nnc(CN(C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)o1 ZINC000487489937 570494261 /nfs/dbraw/zinc/49/42/61/570494261.db2.gz YWMIXDKBYCUOCM-KBPBESRZSA-N 2 1 377.468 2.098 20 0 GEADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000451147492 650090369 /nfs/dbraw/zinc/09/03/69/650090369.db2.gz RKKKSYRRDZNFJO-HOTGVXAUSA-N 2 1 381.533 2.100 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000451147492 650090370 /nfs/dbraw/zinc/09/03/70/650090370.db2.gz RKKKSYRRDZNFJO-HOTGVXAUSA-N 2 1 381.533 2.100 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(F)c1F ZINC000507996552 650472126 /nfs/dbraw/zinc/47/21/26/650472126.db2.gz BRXZQPLKRJKAAR-CQSZACIVSA-N 2 1 375.485 2.001 20 0 GEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ncc(I)s1 ZINC000512030039 650544221 /nfs/dbraw/zinc/54/42/21/650544221.db2.gz GJOURLLYAQFVPN-NSHDSACASA-N 2 1 395.310 2.074 20 0 GEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ncccc2Br)CC1 ZINC000525994141 650662723 /nfs/dbraw/zinc/66/27/23/650662723.db2.gz MNLZGUIETRZMLL-UHFFFAOYSA-N 2 1 376.258 2.243 20 0 GEADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(I)c2)CC1 ZINC000063165955 642853509 /nfs/dbraw/zinc/85/35/09/642853509.db2.gz TYMAUKRDIVNRNM-UHFFFAOYSA-N 2 1 387.265 2.161 20 0 GEADMP C[C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC[NH2+]1 ZINC000332122361 647413946 /nfs/dbraw/zinc/41/39/46/647413946.db2.gz AIIRVTDKEJSQBR-KBPBESRZSA-N 2 1 389.924 2.174 20 0 GEADMP O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000333764197 647481622 /nfs/dbraw/zinc/48/16/22/647481622.db2.gz DDEXQODQMREBDJ-AWEZNQCLSA-N 2 1 391.990 2.488 20 0 GEADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)N1CCC[NH2+]CC1 ZINC000417897198 648265708 /nfs/dbraw/zinc/26/57/08/648265708.db2.gz XKSOXNMMVFXLDY-UHFFFAOYSA-N 2 1 395.345 2.418 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420404331 648415979 /nfs/dbraw/zinc/41/59/79/648415979.db2.gz NCEHMPFXRHGLGV-JTQLQIEISA-N 2 1 379.810 2.471 20 0 GEADMP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422907236 648576852 /nfs/dbraw/zinc/57/68/52/648576852.db2.gz LEJJFTZWNVETHZ-LRDDRELGSA-N 2 1 384.318 2.165 20 0 GEADMP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(Br)cncc1Br ZINC000423166890 648586016 /nfs/dbraw/zinc/58/60/16/648586016.db2.gz ZSPOLICENQSPQU-SECBINFHSA-N 2 1 381.112 2.450 20 0 GEADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423194242 648587262 /nfs/dbraw/zinc/58/72/62/648587262.db2.gz YQSVNYLXNHFCMB-AWEZNQCLSA-N 2 1 379.302 2.164 20 0 GEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000443064907 648858939 /nfs/dbraw/zinc/85/89/39/648858939.db2.gz ZAGWKZWPZRAKTE-LBPRGKRZSA-N 2 1 387.265 2.291 20 0 GEADMP Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603435811 651492467 /nfs/dbraw/zinc/49/24/67/651492467.db2.gz ZNHFOJWGKXQVPY-QWHCGFSZSA-N 2 1 387.265 2.254 20 0 GEADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(O)c2Br)C1)[C@H]1CCC[NH2+]1 ZINC000563137685 651511921 /nfs/dbraw/zinc/51/19/21/651511921.db2.gz DWYPSFOAFGNWKR-UKRRQHHQSA-N 2 1 396.329 2.235 20 0 GEADMP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(O)c2Br)C1)[C@H]1CCC[NH2+]1 ZINC000563137685 651511926 /nfs/dbraw/zinc/51/19/26/651511926.db2.gz DWYPSFOAFGNWKR-UKRRQHHQSA-N 2 1 396.329 2.235 20 0 GEADMP CN(CCC[N@@H+](C)Cc1cnc2ccc(Br)cn12)CC[NH+](C)C ZINC000570008719 651739879 /nfs/dbraw/zinc/73/98/79/651739879.db2.gz GNCUQYBTWKSRTP-UHFFFAOYSA-N 2 1 382.350 2.412 20 0 GEADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)C1 ZINC000734487199 651746396 /nfs/dbraw/zinc/74/63/96/651746396.db2.gz MYQKZBLOEHLLPW-QZTJIDSGSA-N 2 1 382.346 2.194 20 0 GEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)C1 ZINC000734487199 651746400 /nfs/dbraw/zinc/74/64/00/651746400.db2.gz MYQKZBLOEHLLPW-QZTJIDSGSA-N 2 1 382.346 2.194 20 0 GEADMP O[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[NH+]1CCCCC1 ZINC000647517806 651749511 /nfs/dbraw/zinc/74/95/11/651749511.db2.gz GGCRUXQJTBORCF-KGLIPLIRSA-N 2 1 377.312 2.170 20 0 GEADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000570687410 651783765 /nfs/dbraw/zinc/78/37/65/651783765.db2.gz VBPZTNBFQCWCOH-RHSMWYFYSA-N 2 1 397.317 2.001 20 0 GEADMP C[C@@H]1[C@H](O)CCN1Cc1ccc(Br)cc1C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000650191037 651845039 /nfs/dbraw/zinc/84/50/39/651845039.db2.gz UONCSQYQGWBZNH-XHSVMWQWSA-N 2 1 383.330 2.359 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn2ccc(Br)cc2n1 ZINC000617507705 651955598 /nfs/dbraw/zinc/95/55/98/651955598.db2.gz GLCZPXQXAQVKEO-ZDUSSCGKSA-N 2 1 396.333 2.099 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn2ccc(Br)cc2n1 ZINC000617507705 651955601 /nfs/dbraw/zinc/95/56/01/651955601.db2.gz GLCZPXQXAQVKEO-ZDUSSCGKSA-N 2 1 396.333 2.099 20 0 GEADMP O=C(CC[NH2+]C[C@H](O)C[NH+]1CCCCC1)Nc1cccc(Br)c1 ZINC000582301535 652444562 /nfs/dbraw/zinc/44/45/62/652444562.db2.gz JZWWBEWMAMBJOW-INIZCTEOSA-N 2 1 384.318 2.214 20 0 GEADMP CS[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@@H](N(C)C)[C@@H](SC)C2)C[C@H]1N(C)C ZINC000582318363 652445238 /nfs/dbraw/zinc/44/52/38/652445238.db2.gz PGHJNKQTPWBISV-MKXGPGLRSA-N 2 1 388.691 2.112 20 0 GEADMP CS[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](N(C)C)[C@@H](SC)C2)C[C@H]1N(C)C ZINC000582318363 652445239 /nfs/dbraw/zinc/44/52/39/652445239.db2.gz PGHJNKQTPWBISV-MKXGPGLRSA-N 2 1 388.691 2.112 20 0 GEADMP CS[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](N(C)C)[C@@H](SC)C2)C[C@H]1N(C)C ZINC000582318363 652445242 /nfs/dbraw/zinc/44/52/42/652445242.db2.gz PGHJNKQTPWBISV-MKXGPGLRSA-N 2 1 388.691 2.112 20 0 GEADMP O=C1[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1cccc(Br)c1 ZINC000582845983 652463925 /nfs/dbraw/zinc/46/39/25/652463925.db2.gz SEIAQJBLVAUPCV-VBQJREDUSA-N 2 1 378.314 2.486 20 0 GEADMP [NH3+][C@@H](C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1Br ZINC000662576510 652468586 /nfs/dbraw/zinc/46/85/86/652468586.db2.gz VMUALQODOVWERQ-XOKHGSTOSA-N 2 1 396.329 2.194 20 0 GEADMP [NH3+][C@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccccc1Br ZINC000662764533 652473626 /nfs/dbraw/zinc/47/36/26/652473626.db2.gz QKOAFUYDVPFJLD-ZBEGNZNMSA-N 2 1 375.270 2.299 20 0 GEADMP [NH3+][C@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000662832266 652475856 /nfs/dbraw/zinc/47/58/56/652475856.db2.gz GYIMLMPIPYFJHJ-YOEHRIQHSA-N 2 1 396.329 2.162 20 0 GEADMP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CCO1 ZINC000662973220 652480079 /nfs/dbraw/zinc/48/00/79/652480079.db2.gz QIJPYGUJFSPILG-CJNGLKHVSA-N 2 1 384.318 2.018 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1nc(C(F)(F)F)cs1 ZINC000664199850 652522937 /nfs/dbraw/zinc/52/29/37/652522937.db2.gz WKPXLQQPBYIPKK-NSHDSACASA-N 2 1 381.468 2.233 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1nc(C(F)(F)F)cs1 ZINC000664199850 652522941 /nfs/dbraw/zinc/52/29/41/652522941.db2.gz WKPXLQQPBYIPKK-NSHDSACASA-N 2 1 381.468 2.233 20 0 GEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccnc2Br)CC1 ZINC000758182630 652533307 /nfs/dbraw/zinc/53/33/07/652533307.db2.gz HJTIAQFWKPTKOK-UHFFFAOYSA-N 2 1 376.258 2.243 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000667149278 652594362 /nfs/dbraw/zinc/59/43/62/652594362.db2.gz KORPGDKVLBWCHM-RYUDHWBXSA-N 2 1 381.468 2.318 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000667149278 652594365 /nfs/dbraw/zinc/59/43/65/652594365.db2.gz KORPGDKVLBWCHM-RYUDHWBXSA-N 2 1 381.468 2.318 20 0 GEADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)cc(I)c1OC ZINC000592433830 652594837 /nfs/dbraw/zinc/59/48/37/652594837.db2.gz ZCIWGWRJIKZTQU-UHFFFAOYSA-N 2 1 376.238 2.230 20 0 GEADMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)cc(I)c1OC ZINC000592433830 652594832 /nfs/dbraw/zinc/59/48/32/652594832.db2.gz ZCIWGWRJIKZTQU-UHFFFAOYSA-N 2 1 376.238 2.230 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639551409 652941192 /nfs/dbraw/zinc/94/11/92/652941192.db2.gz NETPQWLXRWUBFR-QGZVFWFLSA-N 2 1 390.355 2.302 20 0 GEADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000639761567 652952240 /nfs/dbraw/zinc/95/22/40/652952240.db2.gz NKCYKUAADNJSQE-KRWDZBQOSA-N 2 1 384.318 2.166 20 0 GEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000639761567 652952249 /nfs/dbraw/zinc/95/22/49/652952249.db2.gz NKCYKUAADNJSQE-KRWDZBQOSA-N 2 1 384.318 2.166 20 0 GEADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(I)s2)CC1 ZINC000602512596 653187482 /nfs/dbraw/zinc/18/74/82/653187482.db2.gz VUNDLWQEZOCCHY-UHFFFAOYSA-N 2 1 393.338 2.470 20 0 GEADMP Oc1ccc(Br)c(CN[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1 ZINC000641787517 653233930 /nfs/dbraw/zinc/23/39/30/653233930.db2.gz CGZAFLBKYZOTEB-MRXNPFEDSA-N 2 1 398.345 2.041 20 0 GEADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2c(Cl)n(C)nc2C(F)(F)F)C1 ZINC000774774288 653252425 /nfs/dbraw/zinc/25/24/25/653252425.db2.gz DWIUWAPBLZAXCP-JTQLQIEISA-N 2 1 383.802 2.200 20 0 GEADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2c(Cl)n(C)nc2C(F)(F)F)C1 ZINC000774774288 653252442 /nfs/dbraw/zinc/25/24/42/653252442.db2.gz DWIUWAPBLZAXCP-JTQLQIEISA-N 2 1 383.802 2.200 20 0 GEADMP C[C@@H](C[NH2+]Cc1nc(Cl)ccc1Br)CN1CC[NH+](C)CC1 ZINC000877017356 653460382 /nfs/dbraw/zinc/46/03/82/653460382.db2.gz SYVUQOGCQDFBIC-LBPRGKRZSA-N 2 1 375.742 2.471 20 0 GEADMP C[C@H]1C[N@@H+](C[C@H](O)c2ccc(Br)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878323573 653634512 /nfs/dbraw/zinc/63/45/12/653634512.db2.gz ACXPQRPGVUYXQE-IPELMVKDSA-N 2 1 396.373 2.440 20 0 GEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000879581768 653673323 /nfs/dbraw/zinc/67/33/23/653673323.db2.gz NUUOTYBMHDAFPF-ISTRZQFTSA-N 2 1 387.293 2.354 20 0 GEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000879581768 653673326 /nfs/dbraw/zinc/67/33/26/653673326.db2.gz NUUOTYBMHDAFPF-ISTRZQFTSA-N 2 1 387.293 2.354 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000879581768 653673328 /nfs/dbraw/zinc/67/33/28/653673328.db2.gz NUUOTYBMHDAFPF-ISTRZQFTSA-N 2 1 387.293 2.354 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)COc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000879581768 653673329 /nfs/dbraw/zinc/67/33/29/653673329.db2.gz NUUOTYBMHDAFPF-ISTRZQFTSA-N 2 1 387.293 2.354 20 0 GEADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccccc3I)C2)nn1 ZINC000841099774 653706365 /nfs/dbraw/zinc/70/63/65/653706365.db2.gz ORZILROUVATKGW-CQSZACIVSA-N 2 1 397.264 2.179 20 0 GEADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccccc3I)C2)nn1 ZINC000841099774 653706367 /nfs/dbraw/zinc/70/63/67/653706367.db2.gz ORZILROUVATKGW-CQSZACIVSA-N 2 1 397.264 2.179 20 0 GEADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000863549582 653715347 /nfs/dbraw/zinc/71/53/47/653715347.db2.gz MSDIZBUSKPGKNX-CVEARBPZSA-N 2 1 380.286 2.206 20 0 GEADMP O=C(CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(Br)cc1 ZINC000818986357 653740015 /nfs/dbraw/zinc/74/00/15/653740015.db2.gz MERCRELWHKFRMB-JKSUJKDBSA-N 2 1 382.302 2.231 20 0 GEADMP O=C(CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(Br)cc1 ZINC000818986357 653740019 /nfs/dbraw/zinc/74/00/19/653740019.db2.gz MERCRELWHKFRMB-JKSUJKDBSA-N 2 1 382.302 2.231 20 0 GEADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000818997428 653740315 /nfs/dbraw/zinc/74/03/15/653740315.db2.gz AMQNMVDTMVHRDI-SJORKVTESA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000818997428 653740316 /nfs/dbraw/zinc/74/03/16/653740316.db2.gz AMQNMVDTMVHRDI-SJORKVTESA-N 2 1 398.345 2.015 20 0 GEADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000819058313 653741959 /nfs/dbraw/zinc/74/19/59/653741959.db2.gz HYGOWGCQIGGKLN-SFHVURJKSA-N 2 1 384.362 2.490 20 0 GEADMP O=[S@@]1C[C@@H]2C[C@H]1C[NH+]2CCCCCCCCC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844435927 653806265 /nfs/dbraw/zinc/80/62/65/653806265.db2.gz ZZNFJWJOZBPAHM-XYTDRIGZSA-N 2 1 386.627 2.128 20 0 GEADMP Oc1cc(Br)cnc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000895339839 653828776 /nfs/dbraw/zinc/82/87/76/653828776.db2.gz YJXDYWMBIPEYMX-MRXNPFEDSA-N 2 1 392.297 2.406 20 0 GEADMP CN(C)Cc1ccc(NC(=O)C2CN([C@@H]3CCOC3)C2)cc1Br ZINC000897516498 653925168 /nfs/dbraw/zinc/92/51/68/653925168.db2.gz HOFSHHYVMMISRW-OAHLLOKOSA-N 2 1 382.302 2.170 20 0 GEADMP Cc1cc(Br)cc(C)c1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849073297 654003561 /nfs/dbraw/zinc/00/35/61/654003561.db2.gz GACPILXPTJQHCR-UHFFFAOYSA-N 2 1 383.334 2.402 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000849102830 654004282 /nfs/dbraw/zinc/00/42/82/654004282.db2.gz BDHXICKEODROSH-NVXWUHKLSA-N 2 1 397.361 2.198 20 0 GEADMP C[NH+]1CCC2(CC[N@@H+]2C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000899911387 654036423 /nfs/dbraw/zinc/03/64/23/654036423.db2.gz TVEGQZFZSFAMJW-OAHLLOKOSA-N 2 1 387.293 2.498 20 0 GEADMP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000899911387 654036429 /nfs/dbraw/zinc/03/64/29/654036429.db2.gz TVEGQZFZSFAMJW-OAHLLOKOSA-N 2 1 387.293 2.498 20 0 GEADMP C[N@H+](CCn1cnc(Br)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000851793490 654178480 /nfs/dbraw/zinc/17/84/80/654178480.db2.gz WLHMVRUJAZRNCQ-INIZCTEOSA-N 2 1 378.318 2.495 20 0 GEADMP C[N@@H+](CCn1cnc(Br)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000851793490 654178483 /nfs/dbraw/zinc/17/84/83/654178483.db2.gz WLHMVRUJAZRNCQ-INIZCTEOSA-N 2 1 378.318 2.495 20 0 GEADMP C[NH+](CCn1cnc(Br)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000851793490 654178485 /nfs/dbraw/zinc/17/84/85/654178485.db2.gz WLHMVRUJAZRNCQ-INIZCTEOSA-N 2 1 378.318 2.495 20 0 GEADMP C[NH+](CCn1cnc(Br)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000851793490 654178486 /nfs/dbraw/zinc/17/84/86/654178486.db2.gz WLHMVRUJAZRNCQ-INIZCTEOSA-N 2 1 378.318 2.495 20 0 GEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000903442644 654239451 /nfs/dbraw/zinc/23/94/51/654239451.db2.gz VVEXMGHFVNDMAO-RDBSUJKOSA-N 2 1 381.318 2.350 20 0 GEADMP C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717881 654280880 /nfs/dbraw/zinc/28/08/80/654280880.db2.gz FHKZUVUDLVRCRT-DYVFJYSZSA-N 2 1 382.302 2.088 20 0 GEADMP C[N@H+](CC(=O)Nc1ccccc1Br)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717881 654280884 /nfs/dbraw/zinc/28/08/84/654280884.db2.gz FHKZUVUDLVRCRT-DYVFJYSZSA-N 2 1 382.302 2.088 20 0 GEADMP O=S(=O)(c1cccc(Cl)c1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903906178 654291625 /nfs/dbraw/zinc/29/16/25/654291625.db2.gz UAQPREHSCQKDLB-ZXFUBFMLSA-N 2 1 383.945 2.177 20 0 GEADMP COc1cc(Br)c(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1O ZINC000904392636 654308945 /nfs/dbraw/zinc/30/89/45/654308945.db2.gz WEPIDHGAHWJADU-CYBMUJFWSA-N 2 1 385.302 2.493 20 0 GEADMP CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904474090 654312018 /nfs/dbraw/zinc/31/20/18/654312018.db2.gz TUXKZPWRUXQDHV-MAUKXSAKSA-N 2 1 378.519 2.497 20 0 GEADMP CC[N@@H+](CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)CCC(F)(F)F ZINC000922187487 654374468 /nfs/dbraw/zinc/37/44/68/654374468.db2.gz IAOBKEHPHVZUQW-KBPBESRZSA-N 2 1 382.496 2.140 20 0 GEADMP CC[NH+](CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)CCC(F)(F)F ZINC000922187487 654374472 /nfs/dbraw/zinc/37/44/72/654374472.db2.gz IAOBKEHPHVZUQW-KBPBESRZSA-N 2 1 382.496 2.140 20 0 GEADMP CC[NH+](CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)CCC(F)(F)F ZINC000922187487 654374479 /nfs/dbraw/zinc/37/44/79/654374479.db2.gz IAOBKEHPHVZUQW-KBPBESRZSA-N 2 1 382.496 2.140 20 0 GEADMP C[NH+](C)CCOC1CC[NH+](Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894017917 654439332 /nfs/dbraw/zinc/43/93/32/654439332.db2.gz SNMNDHJLHWHWEN-UHFFFAOYSA-N 2 1 388.965 2.176 20 0 GEADMP O=C([C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1)N1CC[NH2+]CC1 ZINC000923283276 654441563 /nfs/dbraw/zinc/44/15/63/654441563.db2.gz TUHCBLCFKSGVOZ-SUMWQHHRSA-N 2 1 386.323 2.171 20 0 GEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923290509 654441576 /nfs/dbraw/zinc/44/15/76/654441576.db2.gz XXKAYQPSBDPIDP-HUBLWGQQSA-N 2 1 375.282 2.387 20 0 GEADMP CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906516302 654445606 /nfs/dbraw/zinc/44/56/06/654445606.db2.gz BREZSKJRYLGFLX-JOCQHMNTSA-N 2 1 393.372 2.165 20 0 GEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923348816 654445957 /nfs/dbraw/zinc/44/59/57/654445957.db2.gz LHPLKLQFKOAFMI-WFASDCNBSA-N 2 1 375.282 2.389 20 0 GEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C2 ZINC000923428809 654452252 /nfs/dbraw/zinc/45/22/52/654452252.db2.gz ZYGUKWPHZWDANY-DETPVDSQSA-N 2 1 389.721 2.384 20 0 GEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C2 ZINC000923428809 654452256 /nfs/dbraw/zinc/45/22/56/654452256.db2.gz ZYGUKWPHZWDANY-DETPVDSQSA-N 2 1 389.721 2.384 20 0 GEADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000923460551 654454033 /nfs/dbraw/zinc/45/40/33/654454033.db2.gz FMEDRYUINLUQKG-QGZVFWFLSA-N 2 1 385.339 2.152 20 0 GEADMP Cn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(I)n1 ZINC000894779981 654498544 /nfs/dbraw/zinc/49/85/44/654498544.db2.gz UFZHGTWSCWAAMM-ZDUSSCGKSA-N 2 1 388.297 2.188 20 0 GEADMP Cn1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(I)n1 ZINC000894779981 654498546 /nfs/dbraw/zinc/49/85/46/654498546.db2.gz UFZHGTWSCWAAMM-ZDUSSCGKSA-N 2 1 388.297 2.188 20 0 GEADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925175083 654536588 /nfs/dbraw/zinc/53/65/88/654536588.db2.gz UGFNXBSGYKCBKR-IRXDYDNUSA-N 2 1 382.599 2.401 20 0 GEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)C12CCC2 ZINC000925666531 654547407 /nfs/dbraw/zinc/54/74/07/654547407.db2.gz LXALUACMEDGBGO-CHWSQXEVSA-N 2 1 385.249 2.089 20 0 GEADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1Br ZINC000925687682 654547808 /nfs/dbraw/zinc/54/78/08/654547808.db2.gz LXIUOWXMJBHMEB-QTUVYZQZSA-N 2 1 395.341 2.195 20 0 GEADMP OC[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)Cc1ccc(F)c(Br)c1 ZINC000925690379 654548118 /nfs/dbraw/zinc/54/81/18/654548118.db2.gz VDLNFHVUWMXUDP-MCKLEBTQSA-N 2 1 383.305 2.325 20 0 GEADMP O=C(Nc1ccc(Br)nc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000926068737 654557670 /nfs/dbraw/zinc/55/76/70/654557670.db2.gz KAVMDYGFUCJPIB-GASCZTMLSA-N 2 1 394.317 2.277 20 0 GEADMP [NH3+][C@H](C(=O)NCC1([NH3+])CCCCC1)c1ccccc1I ZINC000911652939 654729208 /nfs/dbraw/zinc/72/92/08/654729208.db2.gz YVIPNQVDJUKADB-ZDUSSCGKSA-N 2 1 387.265 2.069 20 0 GEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3cc(F)cc(Br)c3)C[C@@H]2C1 ZINC000931435299 654742403 /nfs/dbraw/zinc/74/24/03/654742403.db2.gz BHUKGCOUBAZYSF-WWGRRREGSA-N 2 1 387.293 2.211 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C[C@@H]2C1 ZINC000931435299 654742407 /nfs/dbraw/zinc/74/24/07/654742407.db2.gz BHUKGCOUBAZYSF-WWGRRREGSA-N 2 1 387.293 2.211 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C[C@@H]2C1 ZINC000931435299 654742412 /nfs/dbraw/zinc/74/24/12/654742412.db2.gz BHUKGCOUBAZYSF-WWGRRREGSA-N 2 1 387.293 2.211 20 0 GEADMP C[NH+](C)CC1(O)CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000931482448 654743440 /nfs/dbraw/zinc/74/34/40/654743440.db2.gz HTFZTYAVNCBYBV-UHFFFAOYSA-N 2 1 399.329 2.499 20 0 GEADMP COc1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c(Br)c1OC ZINC000931485051 654743595 /nfs/dbraw/zinc/74/35/95/654743595.db2.gz XAVVGQQOKSEJAX-UHFFFAOYSA-N 2 1 387.318 2.355 20 0 GEADMP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)ccc1Br ZINC000931484739 654743617 /nfs/dbraw/zinc/74/36/17/654743617.db2.gz QMNSOKKODAELOW-CQSZACIVSA-N 2 1 398.345 2.473 20 0 GEADMP C[NH+]1CCN(c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)CC1 ZINC001164620370 719057155 /nfs/dbraw/zinc/05/71/55/719057155.db2.gz GJYDIKHTUGTKJX-RTWAWAEBSA-N 2 1 392.551 2.329 20 0 GEADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[NH2+]C[C@H]2C(=O)OC)n1 ZINC001164629699 719136404 /nfs/dbraw/zinc/13/64/04/719136404.db2.gz CEXWMIOWDGYLAW-AWEZNQCLSA-N 2 1 391.541 2.101 20 0 GEADMP COC(=O)c1cnc(Cl)cc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685297 719603198 /nfs/dbraw/zinc/60/31/98/719603198.db2.gz VAGFDUQSACIDIE-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COC(=O)c1cnc(Cl)cc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685297 719603206 /nfs/dbraw/zinc/60/32/06/719603206.db2.gz VAGFDUQSACIDIE-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COC(=O)c1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ncc1Cl ZINC001164682570 719605140 /nfs/dbraw/zinc/60/51/40/719605140.db2.gz DWGBYBCCJWFZAG-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COC(=O)c1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ncc1Cl ZINC001164682570 719605149 /nfs/dbraw/zinc/60/51/49/719605149.db2.gz DWGBYBCCJWFZAG-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2nccc(C(=O)OC(C)(C)C)n2)c2c1CC[NH2+]C2 ZINC001164681536 719626694 /nfs/dbraw/zinc/62/66/94/719626694.db2.gz HRNNHDPYQPMJSG-UHFFFAOYSA-N 2 1 386.500 2.104 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc(C(=O)OC(C)(C)C)n2)c2c1CC[NH2+]C2 ZINC001164681536 719626701 /nfs/dbraw/zinc/62/67/01/719626701.db2.gz HRNNHDPYQPMJSG-UHFFFAOYSA-N 2 1 386.500 2.104 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2nccc(-c3cccnc3F)n2)c2c1CC[NH2+]C2 ZINC001164681632 719631903 /nfs/dbraw/zinc/63/19/03/719631903.db2.gz JUKUBIGEXPCGIG-UHFFFAOYSA-N 2 1 381.459 2.349 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc(-c3cccnc3F)n2)c2c1CC[NH2+]C2 ZINC001164681632 719631912 /nfs/dbraw/zinc/63/19/12/719631912.db2.gz JUKUBIGEXPCGIG-UHFFFAOYSA-N 2 1 381.459 2.349 20 0 GEADMP COc1cc(OC)c2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164680052 719652306 /nfs/dbraw/zinc/65/23/06/719652306.db2.gz CYSFTGQZTKFMTJ-UHFFFAOYSA-N 2 1 396.495 2.319 20 0 GEADMP COc1cc(OC)c2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164680052 719652307 /nfs/dbraw/zinc/65/23/07/719652307.db2.gz CYSFTGQZTKFMTJ-UHFFFAOYSA-N 2 1 396.495 2.319 20 0 GEADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164837958 720729047 /nfs/dbraw/zinc/72/90/47/720729047.db2.gz PDGHOFWUGYJFAH-HXUWFJFHSA-N 2 1 393.535 2.423 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH]1 ZINC001164737415 720821273 /nfs/dbraw/zinc/82/12/73/720821273.db2.gz AYPLANNFUQQVJL-YQVWRLOYSA-N 2 1 392.511 2.237 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH]1 ZINC001164737415 720821276 /nfs/dbraw/zinc/82/12/76/720821276.db2.gz AYPLANNFUQQVJL-YQVWRLOYSA-N 2 1 392.511 2.237 20 0 GEADMP C[NH+](C)Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164750442 720853635 /nfs/dbraw/zinc/85/36/35/720853635.db2.gz PTYQMCZNGSACQL-PCCBWWKXSA-N 2 1 395.555 2.114 20 0 GEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CC[NH2+]C3)[C@H]2C ZINC001164863389 720935285 /nfs/dbraw/zinc/93/52/85/720935285.db2.gz ZPUAYFMPYANAKJ-ZDUSSCGKSA-N 2 1 389.935 2.394 20 0 GEADMP Clc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164880439 721129994 /nfs/dbraw/zinc/12/99/94/721129994.db2.gz WRKGDLYXWSWXFO-IAGOWNOFSA-N 2 1 399.926 2.255 20 0 GEADMP Cn1ccc2c1cc[nH+]c2N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164885067 721396465 /nfs/dbraw/zinc/39/64/65/721396465.db2.gz CHPOOUPBIKQTHP-GCJKJVERSA-N 2 1 383.540 2.339 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164783375 721421952 /nfs/dbraw/zinc/42/19/52/721421952.db2.gz IDKMOUABDQOTEN-HZPDHXFCSA-N 3 1 384.553 2.034 20 0 GEADMP Cc1cc2[nH]ccc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164916259 721785570 /nfs/dbraw/zinc/78/55/70/721785570.db2.gz PFLWHWOZJZNABC-QFIPXVFZSA-N 2 1 393.491 2.374 20 0 GEADMP Cc1cc2[nH]ccc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164916259 721785572 /nfs/dbraw/zinc/78/55/72/721785572.db2.gz PFLWHWOZJZNABC-QFIPXVFZSA-N 2 1 393.491 2.374 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3CC[NH2+]CC4)C[C@H]21 ZINC001165026896 721799778 /nfs/dbraw/zinc/79/97/78/721799778.db2.gz SCSBRVNTOLZMPE-NQSCKRDGSA-N 2 1 392.551 2.297 20 0 GEADMP Cc1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1C1C[NH2+]C1 ZINC001164964495 722024897 /nfs/dbraw/zinc/02/48/97/722024897.db2.gz WRIXQKJUGZPXEG-UHFFFAOYSA-N 2 1 378.524 2.359 20 0 GEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000171767749 531915670 /nfs/dbraw/zinc/91/56/70/531915670.db2.gz XQEWQVSXNSIPJD-UHFFFAOYSA-N 2 1 398.345 2.338 20 0 GEADMP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721690 532076147 /nfs/dbraw/zinc/07/61/47/532076147.db2.gz QFIYUQFCNAIAPB-OAHLLOKOSA-N 2 1 397.361 2.345 20 0 GEADMP C[C@H]([NH2+]Cc1nccs1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000128234105 532162440 /nfs/dbraw/zinc/16/24/40/532162440.db2.gz PAKZAISIZRBOEY-AWEZNQCLSA-N 2 1 382.555 2.224 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178667645 532208968 /nfs/dbraw/zinc/20/89/68/532208968.db2.gz AIWDESWNSITFRQ-INIZCTEOSA-N 2 1 396.329 2.417 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000182964640 532320183 /nfs/dbraw/zinc/32/01/83/532320183.db2.gz HRDRMGZCFIPSCJ-MRXNPFEDSA-N 2 1 390.355 2.302 20 0 GEADMP C[NH+]1CCN(CCCC[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000516818818 532392403 /nfs/dbraw/zinc/39/24/03/532392403.db2.gz CWBXJOKSPKMATQ-UHFFFAOYSA-N 2 1 380.334 2.214 20 0 GEADMP Cc1cc(N2CCC[C@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)ccc1Br ZINC000680961466 532420285 /nfs/dbraw/zinc/42/02/85/532420285.db2.gz IHKSOAWAITZISU-VBQJREDUSA-N 2 1 378.314 2.404 20 0 GEADMP Cc1cc(N2CCC[C@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)ccc1Br ZINC000680961466 532420293 /nfs/dbraw/zinc/42/02/93/532420293.db2.gz IHKSOAWAITZISU-VBQJREDUSA-N 2 1 378.314 2.404 20 0 GEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3cccc(I)c3)C[C@@H]21 ZINC000230049692 532491032 /nfs/dbraw/zinc/49/10/32/532491032.db2.gz AFDFWDGAZWQOHT-TUKIKUTGSA-N 2 1 399.276 2.289 20 0 GEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cccc(I)c3)C[C@@H]21 ZINC000230049692 532491039 /nfs/dbraw/zinc/49/10/39/532491039.db2.gz AFDFWDGAZWQOHT-TUKIKUTGSA-N 2 1 399.276 2.289 20 0 GEADMP C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000563014335 532493941 /nfs/dbraw/zinc/49/39/41/532493941.db2.gz UBDLQWMBLFFLFL-ZDUSSCGKSA-N 2 1 387.343 2.463 20 0 GEADMP C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1=CC[N@@H+](C)CC1 ZINC000563014335 532493951 /nfs/dbraw/zinc/49/39/51/532493951.db2.gz UBDLQWMBLFFLFL-ZDUSSCGKSA-N 2 1 387.343 2.463 20 0 GEADMP COCC[NH2+]C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000521055162 532504152 /nfs/dbraw/zinc/50/41/52/532504152.db2.gz XXALRMNZGOUNPV-UHFFFAOYSA-N 2 1 384.318 2.478 20 0 GEADMP O=C([C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1)N1CC[NH2+]CC1 ZINC000470012923 532519118 /nfs/dbraw/zinc/51/91/18/532519118.db2.gz UEWNSNYMUBVBDM-CQSZACIVSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1)N1CC[NH2+]CC1 ZINC000470012923 532519126 /nfs/dbraw/zinc/51/91/26/532519126.db2.gz UEWNSNYMUBVBDM-CQSZACIVSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1)N1CC[NH2+]CC1 ZINC000470010160 532517876 /nfs/dbraw/zinc/51/78/76/532517876.db2.gz UVBNBNMALYGYGN-AWEZNQCLSA-N 2 1 384.293 2.232 20 0 GEADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470011673 532518448 /nfs/dbraw/zinc/51/84/48/532518448.db2.gz MEJCIDVQQNMBKU-AWEZNQCLSA-N 2 1 396.329 2.102 20 0 GEADMP OC[C@@H]1CCN(Cc2ccc(Br)cc2C[N@H+]2CC[C@H](CO)C2)C1 ZINC000249244237 532562875 /nfs/dbraw/zinc/56/28/75/532562875.db2.gz DOQBPIVSRVENTG-CABCVRRESA-N 2 1 383.330 2.078 20 0 GEADMP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632158688 532584161 /nfs/dbraw/zinc/58/41/61/532584161.db2.gz DYMAZMXLOXZVPV-PBHICJAKSA-N 2 1 391.940 2.343 20 0 GEADMP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632158688 532584171 /nfs/dbraw/zinc/58/41/71/532584171.db2.gz DYMAZMXLOXZVPV-PBHICJAKSA-N 2 1 391.940 2.343 20 0 GEADMP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000262078673 532584590 /nfs/dbraw/zinc/58/45/90/532584590.db2.gz DUGKPTYFSGISRZ-GFCCVEGCSA-N 2 1 376.448 2.114 20 0 GEADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000262078673 532584595 /nfs/dbraw/zinc/58/45/95/532584595.db2.gz DUGKPTYFSGISRZ-GFCCVEGCSA-N 2 1 376.448 2.114 20 0 GEADMP CCC([NH3+])(CC)CNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595925110 532576499 /nfs/dbraw/zinc/57/64/99/532576499.db2.gz VEZZFDSNRCRFPD-UHFFFAOYSA-N 2 1 393.294 2.203 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000567171568 532642994 /nfs/dbraw/zinc/64/29/94/532642994.db2.gz ITIMRSBZIXQHTH-HNNXBMFYSA-N 2 1 380.330 2.060 20 0 GEADMP O=S(=O)(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc(Br)c1 ZINC000567353056 532650815 /nfs/dbraw/zinc/65/08/15/532650815.db2.gz YMSUZULVZNVXMO-OKILXGFUSA-N 2 1 387.343 2.154 20 0 GEADMP C[N@H+](C[C@@H](O)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000567345877 532651163 /nfs/dbraw/zinc/65/11/63/532651163.db2.gz XNLCKWHQFBOMRA-IBGZPJMESA-N 2 1 396.373 2.458 20 0 GEADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000567345877 532651170 /nfs/dbraw/zinc/65/11/70/532651170.db2.gz XNLCKWHQFBOMRA-IBGZPJMESA-N 2 1 396.373 2.458 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000568621557 532683772 /nfs/dbraw/zinc/68/37/72/532683772.db2.gz UTSICDMDYRQRKU-OAHLLOKOSA-N 2 1 384.318 2.131 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000568621557 532683776 /nfs/dbraw/zinc/68/37/76/532683776.db2.gz UTSICDMDYRQRKU-OAHLLOKOSA-N 2 1 384.318 2.131 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(I)c2)CC1(C)C ZINC000551587791 532800601 /nfs/dbraw/zinc/80/06/01/532800601.db2.gz HJKIZSYCSDQJJC-UHFFFAOYSA-N 2 1 387.309 2.407 20 0 GEADMP CCOc1c(Br)cc(C[N@H+](C)C[C@H](O)C[NH3+])cc1Br ZINC000415048591 532837454 /nfs/dbraw/zinc/83/74/54/532837454.db2.gz CMKRUUNTYGMDDA-SNVBAGLBSA-N 2 1 396.123 2.362 20 0 GEADMP CCOc1c(Br)cc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1Br ZINC000415048591 532837457 /nfs/dbraw/zinc/83/74/57/532837457.db2.gz CMKRUUNTYGMDDA-SNVBAGLBSA-N 2 1 396.123 2.362 20 0 GEADMP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415124215 532838058 /nfs/dbraw/zinc/83/80/58/532838058.db2.gz JZBVMNPSFNQDNF-CQSZACIVSA-N 2 1 380.290 2.345 20 0 GEADMP COc1ccc(Br)c(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415124215 532838060 /nfs/dbraw/zinc/83/80/60/532838060.db2.gz JZBVMNPSFNQDNF-CQSZACIVSA-N 2 1 380.290 2.345 20 0 GEADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415499423 532847787 /nfs/dbraw/zinc/84/77/87/532847787.db2.gz ORVIOVPIIQUSCH-CQSZACIVSA-N 2 1 399.333 2.083 20 0 GEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000423099196 532893955 /nfs/dbraw/zinc/89/39/55/532893955.db2.gz FDPOSZNIKGESBA-SMDDNHRTSA-N 2 1 387.265 2.207 20 0 GEADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000294062364 532935297 /nfs/dbraw/zinc/93/52/97/532935297.db2.gz KIJOKVLEGVWXOM-IYOUNJFTSA-N 2 1 398.345 2.239 20 0 GEADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000294062370 532935353 /nfs/dbraw/zinc/93/53/53/532935353.db2.gz KIJOKVLEGVWXOM-QWQRMKEZSA-N 2 1 398.345 2.239 20 0 GEADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCC([N@H+](C)CCCO)CC3)c2c1 ZINC000737249367 599117863 /nfs/dbraw/zinc/11/78/63/599117863.db2.gz XJLLYXKQLNETAL-UHFFFAOYSA-N 2 1 395.511 2.315 20 0 GEADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCC([N@@H+](C)CCCO)CC3)c2c1 ZINC000737249367 599117867 /nfs/dbraw/zinc/11/78/67/599117867.db2.gz XJLLYXKQLNETAL-UHFFFAOYSA-N 2 1 395.511 2.315 20 0 GEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736230789 599483958 /nfs/dbraw/zinc/48/39/58/599483958.db2.gz VGXJDDUEXQYZQQ-IYBDPMFKSA-N 2 1 382.516 2.362 20 0 GEADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737845201 599590215 /nfs/dbraw/zinc/59/02/15/599590215.db2.gz XUICSSPMQUYHCP-GOSISDBHSA-N 2 1 383.500 2.146 20 0 GEADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000823706710 607486857 /nfs/dbraw/zinc/48/68/57/607486857.db2.gz OBPUQMLVWCZTHM-UHFFFAOYSA-N 2 1 396.470 2.252 20 0 GEADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c2cccs2)CC1 ZINC000821627373 606207527 /nfs/dbraw/zinc/20/75/27/606207527.db2.gz YSKQTRCIOXTIAL-HNNXBMFYSA-N 2 1 389.554 2.068 20 0 GEADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000820722672 606890900 /nfs/dbraw/zinc/89/09/00/606890900.db2.gz LJJPQOBPVKGCRE-PXNSSMCTSA-N 2 1 384.528 2.344 20 0 GEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000820722672 606890901 /nfs/dbraw/zinc/89/09/01/606890901.db2.gz LJJPQOBPVKGCRE-PXNSSMCTSA-N 2 1 384.528 2.344 20 0 GEADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703474 606898505 /nfs/dbraw/zinc/89/85/05/606898505.db2.gz FZPCJFOEUJJNKE-MBOZVWFJSA-N 2 1 384.528 2.487 20 0 GEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703474 606898507 /nfs/dbraw/zinc/89/85/07/606898507.db2.gz FZPCJFOEUJJNKE-MBOZVWFJSA-N 2 1 384.528 2.487 20 0 GEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703474 606898508 /nfs/dbraw/zinc/89/85/08/606898508.db2.gz FZPCJFOEUJJNKE-MBOZVWFJSA-N 2 1 384.528 2.487 20 0 GEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703474 606898509 /nfs/dbraw/zinc/89/85/09/606898509.db2.gz FZPCJFOEUJJNKE-MBOZVWFJSA-N 2 1 384.528 2.487 20 0 GEADMP C[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821596649 606905105 /nfs/dbraw/zinc/90/51/05/606905105.db2.gz QRYHUAIDCWICLE-WIYYLYMNSA-N 2 1 392.507 2.354 20 0 GEADMP C[N@@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821596649 606905107 /nfs/dbraw/zinc/90/51/07/606905107.db2.gz QRYHUAIDCWICLE-WIYYLYMNSA-N 2 1 392.507 2.354 20 0 GEADMP C[NH+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821596649 606905109 /nfs/dbraw/zinc/90/51/09/606905109.db2.gz QRYHUAIDCWICLE-WIYYLYMNSA-N 2 1 392.507 2.354 20 0 GEADMP C[NH+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821596649 606905111 /nfs/dbraw/zinc/90/51/11/606905111.db2.gz QRYHUAIDCWICLE-WIYYLYMNSA-N 2 1 392.507 2.354 20 0 GEADMP C[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821596646 606905219 /nfs/dbraw/zinc/90/52/19/606905219.db2.gz QRYHUAIDCWICLE-GHTZIAJQSA-N 2 1 392.507 2.354 20 0 GEADMP C[N@@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821596646 606905221 /nfs/dbraw/zinc/90/52/21/606905221.db2.gz QRYHUAIDCWICLE-GHTZIAJQSA-N 2 1 392.507 2.354 20 0 GEADMP C[NH+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821596646 606905223 /nfs/dbraw/zinc/90/52/23/606905223.db2.gz QRYHUAIDCWICLE-GHTZIAJQSA-N 2 1 392.507 2.354 20 0 GEADMP C[NH+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821596646 606905225 /nfs/dbraw/zinc/90/52/25/606905225.db2.gz QRYHUAIDCWICLE-GHTZIAJQSA-N 2 1 392.507 2.354 20 0 GEADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826508797 609381572 /nfs/dbraw/zinc/38/15/72/609381572.db2.gz BUFHYAOWGQUSKS-FQEVSTJZSA-N 2 1 378.480 2.113 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1sccc1Cl ZINC000451147464 650090323 /nfs/dbraw/zinc/09/03/23/650090323.db2.gz QXAMUSRVDVQDSK-CYBMUJFWSA-N 2 1 379.979 2.438 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(F)c1F ZINC000507996551 650472044 /nfs/dbraw/zinc/47/20/44/650472044.db2.gz BRXZQPLKRJKAAR-AWEZNQCLSA-N 2 1 375.485 2.001 20 0 GEADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000484756561 650689977 /nfs/dbraw/zinc/68/99/77/650689977.db2.gz NOTPWINQVPNEPT-OCVGTWLNSA-N 2 1 389.323 2.480 20 0 GEADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000484756559 650689984 /nfs/dbraw/zinc/68/99/84/650689984.db2.gz NOTPWINQVPNEPT-CLWVCHIJSA-N 2 1 389.323 2.480 20 0 GEADMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(I)c1OC ZINC000068840054 643013502 /nfs/dbraw/zinc/01/35/02/643013502.db2.gz BBPPMDMFOUGSIG-UHFFFAOYSA-N 2 1 378.254 2.350 20 0 GEADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000179556945 644463427 /nfs/dbraw/zinc/46/34/27/644463427.db2.gz AQLCTZGOTQWPLQ-CHWSQXEVSA-N 2 1 380.432 2.431 20 0 GEADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@H+]1C ZINC000179556945 644463434 /nfs/dbraw/zinc/46/34/34/644463434.db2.gz AQLCTZGOTQWPLQ-CHWSQXEVSA-N 2 1 380.432 2.431 20 0 GEADMP Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1O ZINC000187157839 645083639 /nfs/dbraw/zinc/08/36/39/645083639.db2.gz SARREVSTLGPDND-CYBMUJFWSA-N 2 1 384.318 2.278 20 0 GEADMP Clc1ccc(OCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000262443437 645630513 /nfs/dbraw/zinc/63/05/13/645630513.db2.gz HARAJRPPORFJQL-AWEZNQCLSA-N 2 1 388.737 2.461 20 0 GEADMP Clc1ccc(OCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000262443437 645630521 /nfs/dbraw/zinc/63/05/21/645630521.db2.gz HARAJRPPORFJQL-AWEZNQCLSA-N 2 1 388.737 2.461 20 0 GEADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc[nH+]cc2Br)CC1 ZINC000547835682 651047492 /nfs/dbraw/zinc/04/74/92/651047492.db2.gz UJFUBWQGYQKYJC-UHFFFAOYSA-N 2 1 383.334 2.305 20 0 GEADMP C[N@H+](C[C@H](O)CC(F)(F)F)[C@@H]1CCC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000364890805 647647547 /nfs/dbraw/zinc/64/75/47/647647547.db2.gz BNFGUFCPOPSBNK-UPJWGTAASA-N 2 1 380.373 2.399 20 0 GEADMP C[N@@H+](C[C@H](O)CC(F)(F)F)[C@@H]1CCC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000364890805 647647552 /nfs/dbraw/zinc/64/75/52/647647552.db2.gz BNFGUFCPOPSBNK-UPJWGTAASA-N 2 1 380.373 2.399 20 0 GEADMP C[NH+](C[C@H](O)CC(F)(F)F)[C@@H]1CCC[N@H+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000364890805 647647566 /nfs/dbraw/zinc/64/75/66/647647566.db2.gz BNFGUFCPOPSBNK-UPJWGTAASA-N 2 1 380.373 2.399 20 0 GEADMP C[NH+](C[C@H](O)CC(F)(F)F)[C@@H]1CCC[N@@H+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000364890805 647647569 /nfs/dbraw/zinc/64/75/69/647647569.db2.gz BNFGUFCPOPSBNK-UPJWGTAASA-N 2 1 380.373 2.399 20 0 GEADMP C[C@@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[NH+]1CCSCC1 ZINC000376973403 647852352 /nfs/dbraw/zinc/85/23/52/647852352.db2.gz VTKXNOODLPBAIO-GRTSSRMGSA-N 2 1 379.492 2.345 20 0 GEADMP C[NH2+][C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000417880471 648264092 /nfs/dbraw/zinc/26/40/92/648264092.db2.gz CIDQXKPHKKSPLN-QGZVFWFLSA-N 2 1 395.345 2.417 20 0 GEADMP CC[C@@H]([NH3+])CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417882866 648264484 /nfs/dbraw/zinc/26/44/84/648264484.db2.gz GMKCJPANWFGENT-OAHLLOKOSA-N 2 1 383.334 2.450 20 0 GEADMP O=C1[C@@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000420345242 648413497 /nfs/dbraw/zinc/41/34/97/648413497.db2.gz ADWQJEKHGTVQEZ-YOEHRIQHSA-N 2 1 383.323 2.078 20 0 GEADMP O=C1[C@@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000420345242 648413500 /nfs/dbraw/zinc/41/35/00/648413500.db2.gz ADWQJEKHGTVQEZ-YOEHRIQHSA-N 2 1 383.323 2.078 20 0 GEADMP CC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000552322769 651146669 /nfs/dbraw/zinc/14/66/69/651146669.db2.gz YHGNXUNQPUREID-UHFFFAOYSA-N 2 1 380.341 2.346 20 0 GEADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000603433362 651491306 /nfs/dbraw/zinc/49/13/06/651491306.db2.gz MNJDWLSGWXXSPB-ZWKOPEQDSA-N 2 1 387.265 2.334 20 0 GEADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cccc(I)c1 ZINC000603435290 651492150 /nfs/dbraw/zinc/49/21/50/651492150.db2.gz XISLDMNNRBFKFQ-ZWKOPEQDSA-N 2 1 387.265 2.334 20 0 GEADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(O)c2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000563137684 651511856 /nfs/dbraw/zinc/51/18/56/651511856.db2.gz DWYPSFOAFGNWKR-HIFRSBDPSA-N 2 1 396.329 2.235 20 0 GEADMP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(O)c2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000563137684 651511860 /nfs/dbraw/zinc/51/18/60/651511860.db2.gz DWYPSFOAFGNWKR-HIFRSBDPSA-N 2 1 396.329 2.235 20 0 GEADMP O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000563668073 651535975 /nfs/dbraw/zinc/53/59/75/651535975.db2.gz ZWYPYSDVUFZSJD-ZDUSSCGKSA-N 2 1 392.352 2.299 20 0 GEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCCn1cc(Br)cn1 ZINC000644648274 651560893 /nfs/dbraw/zinc/56/08/93/651560893.db2.gz ZFAWPQWEXVDCQD-KRWDZBQOSA-N 2 1 381.318 2.118 20 0 GEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCCn1cc(Br)cn1 ZINC000644648274 651560900 /nfs/dbraw/zinc/56/09/00/651560900.db2.gz ZFAWPQWEXVDCQD-KRWDZBQOSA-N 2 1 381.318 2.118 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000569920934 651734020 /nfs/dbraw/zinc/73/40/20/651734020.db2.gz MEDCZZLHJKEYQC-AWEZNQCLSA-N 2 1 377.312 2.434 20 0 GEADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000571283963 651823218 /nfs/dbraw/zinc/82/32/18/651823218.db2.gz JJMKDBOIEONCQA-HUUCEWRRSA-N 2 1 391.339 2.416 20 0 GEADMP CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657597289 652177696 /nfs/dbraw/zinc/17/76/96/652177696.db2.gz SEXPHEREWJHLNE-MRXNPFEDSA-N 2 1 380.535 2.008 20 0 GEADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CC12CCOCC2 ZINC000577730919 652211701 /nfs/dbraw/zinc/21/17/01/652211701.db2.gz FQWMBVQPMDXMHQ-CQSZACIVSA-N 2 1 396.329 2.465 20 0 GEADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)Nc1ccc(Br)cc1 ZINC000662153702 652449224 /nfs/dbraw/zinc/44/92/24/652449224.db2.gz SPVPTXSUCTZWRS-QGZVFWFLSA-N 2 1 396.329 2.309 20 0 GEADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)Nc1ccc(Br)cc1 ZINC000662153702 652449226 /nfs/dbraw/zinc/44/92/26/652449226.db2.gz SPVPTXSUCTZWRS-QGZVFWFLSA-N 2 1 396.329 2.309 20 0 GEADMP [NH3+][C@@H](C(=O)N1CCC[C@@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1Br ZINC000662583503 652468795 /nfs/dbraw/zinc/46/87/95/652468795.db2.gz VAJOMFJWFCIYPZ-UTJXIGIESA-N 2 1 396.329 2.194 20 0 GEADMP [NH3+][C@H](C(=O)N1CCC[C@@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1Br ZINC000662583501 652468881 /nfs/dbraw/zinc/46/88/81/652468881.db2.gz VAJOMFJWFCIYPZ-OMNBBPDLSA-N 2 1 396.329 2.194 20 0 GEADMP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CCO1 ZINC000662973221 652479998 /nfs/dbraw/zinc/47/99/98/652479998.db2.gz QIJPYGUJFSPILG-CZUORRHYSA-N 2 1 384.318 2.018 20 0 GEADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)N2CCc3sccc3C2)CC[C@@H]1C(F)(F)F ZINC000629562947 652493556 /nfs/dbraw/zinc/49/35/56/652493556.db2.gz ORJVSEDNMIPSJP-KGLIPLIRSA-N 2 1 375.460 2.482 20 0 GEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000584346343 652517760 /nfs/dbraw/zinc/51/77/60/652517760.db2.gz DIWYZZZFHYEPDK-KCPJHIHWSA-N 2 1 375.282 2.400 20 0 GEADMP CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632429903 652563444 /nfs/dbraw/zinc/56/34/44/652563444.db2.gz XHLHFVYASJRYBP-UHFFFAOYSA-N 2 1 385.496 2.151 20 0 GEADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000638563754 652895183 /nfs/dbraw/zinc/89/51/83/652895183.db2.gz QCPKWGZGYRCIPR-CDMKHQONSA-N 2 1 394.235 2.435 20 0 GEADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000638563758 652895412 /nfs/dbraw/zinc/89/54/12/652895412.db2.gz QCPKWGZGYRCIPR-SUZMYJTESA-N 2 1 394.235 2.435 20 0 GEADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000638563756 652895492 /nfs/dbraw/zinc/89/54/92/652895492.db2.gz QCPKWGZGYRCIPR-IRUJWGPZSA-N 2 1 394.235 2.435 20 0 GEADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc(Br)c(F)c3)nn2)CC1 ZINC000641138179 653161929 /nfs/dbraw/zinc/16/19/29/653161929.db2.gz GKVIUAVOWNSKTN-UHFFFAOYSA-N 2 1 382.281 2.194 20 0 GEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000685615266 653309089 /nfs/dbraw/zinc/30/90/89/653309089.db2.gz CZNGZQKEWDLAKN-UHFFFAOYSA-N 2 1 380.334 2.214 20 0 GEADMP C[Si](C)(CC[NH+]1CC[C@](O)(C(F)F)C1)CC[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000859323536 653441907 /nfs/dbraw/zinc/44/19/07/653441907.db2.gz GJNCGBJPKHKHDK-IYBDPMFKSA-N 2 1 386.506 2.099 20 0 GEADMP C[Si](C)(CC[NH+]1CC[C@@](O)(C(F)F)C1)CC[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000859323536 653441911 /nfs/dbraw/zinc/44/19/11/653441911.db2.gz GJNCGBJPKHKHDK-IYBDPMFKSA-N 2 1 386.506 2.099 20 0 GEADMP C[Si](C)(CC[NH+]1CC[C@@](O)(C(F)F)C1)CC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000859323536 653441917 /nfs/dbraw/zinc/44/19/17/653441917.db2.gz GJNCGBJPKHKHDK-IYBDPMFKSA-N 2 1 386.506 2.099 20 0 GEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(Br)no2)[C@H](C)C1 ZINC000878448982 653637786 /nfs/dbraw/zinc/63/77/86/653637786.db2.gz XPJSCNJPNYFZIO-RDBSUJKOSA-N 2 1 390.322 2.197 20 0 GEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(Br)no2)[C@H](C)C1 ZINC000878448982 653637788 /nfs/dbraw/zinc/63/77/88/653637788.db2.gz XPJSCNJPNYFZIO-RDBSUJKOSA-N 2 1 390.322 2.197 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000839637293 653658766 /nfs/dbraw/zinc/65/87/66/653658766.db2.gz WQHWTLJURFGDSU-QGZVFWFLSA-N 2 1 398.345 2.015 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000839637293 653658768 /nfs/dbraw/zinc/65/87/68/653658768.db2.gz WQHWTLJURFGDSU-QGZVFWFLSA-N 2 1 398.345 2.015 20 0 GEADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000863549644 653715368 /nfs/dbraw/zinc/71/53/68/653715368.db2.gz NXCSKJOUKCBROX-KGLIPLIRSA-N 2 1 386.315 2.268 20 0 GEADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000818997494 653740342 /nfs/dbraw/zinc/74/03/42/653740342.db2.gz BUNPPPFZEDYNGS-IAGOWNOFSA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000818997494 653740345 /nfs/dbraw/zinc/74/03/45/653740345.db2.gz BUNPPPFZEDYNGS-IAGOWNOFSA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000819042801 653741298 /nfs/dbraw/zinc/74/12/98/653741298.db2.gz MDBHWCWMEIVORG-KRWDZBQOSA-N 2 1 398.345 2.015 20 0 GEADMP CC1=C(Br)CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000820080903 653766224 /nfs/dbraw/zinc/76/62/24/653766224.db2.gz ONHAHHHZFLAKES-AWEZNQCLSA-N 2 1 375.355 2.343 20 0 GEADMP CC1=C(Br)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000820080903 653766225 /nfs/dbraw/zinc/76/62/25/653766225.db2.gz ONHAHHHZFLAKES-AWEZNQCLSA-N 2 1 375.355 2.343 20 0 GEADMP C[C@](O)(C[NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1F ZINC000843061999 653778358 /nfs/dbraw/zinc/77/83/58/653778358.db2.gz KESNFCNYUYKECD-KRWDZBQOSA-N 2 1 389.309 2.232 20 0 GEADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)C2 ZINC000843111192 653779699 /nfs/dbraw/zinc/77/96/99/653779699.db2.gz DSBRMPGUOVEFQA-YJBOKZPZSA-N 2 1 394.313 2.127 20 0 GEADMP Cc1nc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)sc1Br ZINC000882988025 653820910 /nfs/dbraw/zinc/82/09/10/653820910.db2.gz WWUZMRNSYYVRCN-JTQLQIEISA-N 2 1 377.308 2.322 20 0 GEADMP Cc1nc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)sc1Br ZINC000882988025 653820913 /nfs/dbraw/zinc/82/09/13/653820913.db2.gz WWUZMRNSYYVRCN-JTQLQIEISA-N 2 1 377.308 2.322 20 0 GEADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc(Cl)cc(Br)c1 ZINC000849116894 654005331 /nfs/dbraw/zinc/00/53/31/654005331.db2.gz SWPZGHXKWSJWPN-UHFFFAOYSA-N 2 1 389.725 2.439 20 0 GEADMP C[NH+]1CCC2(CC[N@@H+]2C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000899911386 654036529 /nfs/dbraw/zinc/03/65/29/654036529.db2.gz TVEGQZFZSFAMJW-HNNXBMFYSA-N 2 1 387.293 2.498 20 0 GEADMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000899911386 654036530 /nfs/dbraw/zinc/03/65/30/654036530.db2.gz TVEGQZFZSFAMJW-HNNXBMFYSA-N 2 1 387.293 2.498 20 0 GEADMP CC(C)n1ncc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1Br ZINC000869236491 654080114 /nfs/dbraw/zinc/08/01/14/654080114.db2.gz APSKTURZAFJCOQ-ZDUSSCGKSA-N 2 1 388.354 2.228 20 0 GEADMP CC(C)n1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1Br ZINC000869236491 654080119 /nfs/dbraw/zinc/08/01/19/654080119.db2.gz APSKTURZAFJCOQ-ZDUSSCGKSA-N 2 1 388.354 2.228 20 0 GEADMP O=S(=O)(Cc1cccc(Cl)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562769 654256651 /nfs/dbraw/zinc/25/66/51/654256651.db2.gz SQCIWPYAKDOGHO-HDICACEKSA-N 2 1 383.945 2.070 20 0 GEADMP O=S(=O)(Cc1cccc(Cl)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562769 654256652 /nfs/dbraw/zinc/25/66/52/654256652.db2.gz SQCIWPYAKDOGHO-HDICACEKSA-N 2 1 383.945 2.070 20 0 GEADMP OCC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725563 654281539 /nfs/dbraw/zinc/28/15/39/654281539.db2.gz CXCZXHOCVXIXDZ-RDJZCZTQSA-N 2 1 387.293 2.151 20 0 GEADMP OCC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725563 654281547 /nfs/dbraw/zinc/28/15/47/654281547.db2.gz CXCZXHOCVXIXDZ-RDJZCZTQSA-N 2 1 387.293 2.151 20 0 GEADMP COC[C@@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000903937225 654292561 /nfs/dbraw/zinc/29/25/61/654292561.db2.gz FJVDAQHWAFUGHD-NVXWUHKLSA-N 2 1 394.317 2.442 20 0 GEADMP COc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(Br)c1O ZINC000904390514 654308971 /nfs/dbraw/zinc/30/89/71/654308971.db2.gz AODWWSOYVMOQIF-CYBMUJFWSA-N 2 1 385.302 2.493 20 0 GEADMP COc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc(I)c1OC ZINC000904406521 654309760 /nfs/dbraw/zinc/30/97/60/654309760.db2.gz XSWCTZOGIMJCJE-NSHDSACASA-N 2 1 390.265 2.479 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCc3cc(Br)c(F)cc3C2)C1 ZINC000904428462 654310326 /nfs/dbraw/zinc/31/03/26/654310326.db2.gz LTNFNFKXFLMVKX-LBPRGKRZSA-N 2 1 384.293 2.144 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCc3cc(Br)c(F)cc3C2)C1 ZINC000904428462 654310327 /nfs/dbraw/zinc/31/03/27/654310327.db2.gz LTNFNFKXFLMVKX-LBPRGKRZSA-N 2 1 384.293 2.144 20 0 GEADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904474088 654312181 /nfs/dbraw/zinc/31/21/81/654312181.db2.gz TUXKZPWRUXQDHV-CRAIPNDOSA-N 2 1 378.519 2.497 20 0 GEADMP C[C@@H](C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(Br)c1 ZINC000872255636 654319823 /nfs/dbraw/zinc/31/98/23/654319823.db2.gz KQTWGLCGKUDADU-DXEWXGHRSA-N 2 1 394.313 2.420 20 0 GEADMP O=S(=O)(CC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000905330641 654350380 /nfs/dbraw/zinc/35/03/80/654350380.db2.gz FQZLQRBAIBXYOT-UHFFFAOYSA-N 2 1 385.961 2.223 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000855346418 654414109 /nfs/dbraw/zinc/41/41/09/654414109.db2.gz BAMXOSYMNRWFPT-GUYCJALGSA-N 2 1 398.345 2.141 20 0 GEADMP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210008 654422843 /nfs/dbraw/zinc/42/28/43/654422843.db2.gz UNNYNIJRHONDQF-QGZVFWFLSA-N 2 1 383.583 2.220 20 0 GEADMP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210008 654422848 /nfs/dbraw/zinc/42/28/48/654422848.db2.gz UNNYNIJRHONDQF-QGZVFWFLSA-N 2 1 383.583 2.220 20 0 GEADMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923494529 654456706 /nfs/dbraw/zinc/45/67/06/654456706.db2.gz YMZKDVLNUMDVFX-LALPHHSUSA-N 2 1 375.282 2.245 20 0 GEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)CC[C@@H]1C[NH3+] ZINC000923503173 654457198 /nfs/dbraw/zinc/45/71/98/654457198.db2.gz HMAYSEUMJZSTGN-VXGBXAGGSA-N 2 1 387.265 2.146 20 0 GEADMP C[C@H]1C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923497944 654457366 /nfs/dbraw/zinc/45/73/66/654457366.db2.gz NLQSJYSVCQXMHV-QWHCGFSZSA-N 2 1 375.332 2.140 20 0 GEADMP C[C@H]1C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923497944 654457375 /nfs/dbraw/zinc/45/73/75/654457375.db2.gz NLQSJYSVCQXMHV-QWHCGFSZSA-N 2 1 375.332 2.140 20 0 GEADMP C[N@@H+]1CC[C@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000923634251 654472805 /nfs/dbraw/zinc/47/28/05/654472805.db2.gz LGKASNSLPLMNLR-KEYYUXOJSA-N 2 1 389.924 2.143 20 0 GEADMP C[N@H+]1CC[C@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000923634251 654472810 /nfs/dbraw/zinc/47/28/10/654472810.db2.gz LGKASNSLPLMNLR-KEYYUXOJSA-N 2 1 389.924 2.143 20 0 GEADMP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000925566367 654546103 /nfs/dbraw/zinc/54/61/03/654546103.db2.gz HGJHBDPFSVZQAQ-LRDDRELGSA-N 2 1 384.318 2.308 20 0 GEADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000925775699 654549060 /nfs/dbraw/zinc/54/90/60/654549060.db2.gz RLSIEKVTLZGJGI-JCURWCKSSA-N 2 1 379.302 2.477 20 0 GEADMP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ncc(Br)cc1F ZINC000925849092 654551127 /nfs/dbraw/zinc/55/11/27/654551127.db2.gz HNRHBAOBXWKPOB-PWSUYJOCSA-N 2 1 386.265 2.319 20 0 GEADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911735582 654730957 /nfs/dbraw/zinc/73/09/57/654730957.db2.gz WNVRRAFYRHZNSJ-QGZVFWFLSA-N 2 1 392.297 2.275 20 0 GEADMP C[NH+]1CCN(c2nccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164628627 719105170 /nfs/dbraw/zinc/10/51/70/719105170.db2.gz NUSYDBKKRBXDRX-SFTDATJTSA-N 2 1 392.551 2.329 20 0 GEADMP C[NH+]1CCN(c2nccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164628627 719105174 /nfs/dbraw/zinc/10/51/74/719105174.db2.gz NUSYDBKKRBXDRX-SFTDATJTSA-N 2 1 392.551 2.329 20 0 GEADMP COC(=O)c1cc(Cl)cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164686224 719609344 /nfs/dbraw/zinc/60/93/44/719609344.db2.gz ZLJYKJUCIZYEPN-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COC(=O)c1cc(Cl)cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164686224 719609351 /nfs/dbraw/zinc/60/93/51/719609351.db2.gz ZLJYKJUCIZYEPN-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(C3CC[NH2+]CC3)n1)C2 ZINC001164807023 720147124 /nfs/dbraw/zinc/14/71/24/720147124.db2.gz AJSJWMHEMYOTLT-UGKGYDQZSA-N 2 1 385.556 2.128 20 0 GEADMP Cc1c[nH]c2nc[nH+]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164821217 720285982 /nfs/dbraw/zinc/28/59/82/720285982.db2.gz ZERXBMMCRBLXMY-IRXDYDNUSA-N 2 1 382.512 2.178 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH]1 ZINC001164818647 720308433 /nfs/dbraw/zinc/30/84/33/720308433.db2.gz AXKNNQBBMMNTCD-ZWKOTPCHSA-N 2 1 382.512 2.178 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164726426 720419957 /nfs/dbraw/zinc/41/99/57/720419957.db2.gz CBRJHYIPKQCSGN-PMACEKPBSA-N 2 1 378.524 2.257 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)[nH+]2)CC1 ZINC001164726426 720419969 /nfs/dbraw/zinc/41/99/69/720419969.db2.gz CBRJHYIPKQCSGN-PMACEKPBSA-N 3 1 378.524 2.257 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)[nH+]2)CC1 ZINC001164726426 720419975 /nfs/dbraw/zinc/41/99/75/720419975.db2.gz CBRJHYIPKQCSGN-PMACEKPBSA-N 3 1 378.524 2.257 20 0 GEADMP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(N(C)C)[nH+]1 ZINC001164840029 720514323 /nfs/dbraw/zinc/51/43/23/720514323.db2.gz VUQODFLDXSGMKM-IPMKNSEASA-N 2 1 383.544 2.425 20 0 GEADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164840029 720514329 /nfs/dbraw/zinc/51/43/29/720514329.db2.gz VUQODFLDXSGMKM-IPMKNSEASA-N 2 1 383.544 2.425 20 0 GEADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164840029 720514335 /nfs/dbraw/zinc/51/43/35/720514335.db2.gz VUQODFLDXSGMKM-IPMKNSEASA-N 2 1 383.544 2.425 20 0 GEADMP CCOc1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164741245 720827376 /nfs/dbraw/zinc/82/73/76/720827376.db2.gz MROMAJDDQNRGGP-QWFCFKBJSA-N 2 1 382.512 2.451 20 0 GEADMP C[NH+](C)Cc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164750435 720853624 /nfs/dbraw/zinc/85/36/24/720853624.db2.gz PTYQMCZNGSACQL-NJDAHSKKSA-N 2 1 395.555 2.114 20 0 GEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)nc5c4CC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164772320 721185814 /nfs/dbraw/zinc/18/58/14/721185814.db2.gz SBCOOUUOUVFJPA-HZPDHXFCSA-N 2 1 386.931 2.073 20 0 GEADMP C[NH+](C)Cc1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164800819 721585198 /nfs/dbraw/zinc/58/51/98/721585198.db2.gz CUCUIUOYHMPCBD-JAXLGGSGSA-N 2 1 381.524 2.406 20 0 GEADMP C[NH+](C)Cc1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164800835 721585263 /nfs/dbraw/zinc/58/52/63/721585263.db2.gz CUCUIUOYHMPCBD-RZUBCFFCSA-N 2 1 381.524 2.406 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(n3)CC[NH2+]C4)C[C@H]21 ZINC001165025436 721804566 /nfs/dbraw/zinc/80/45/66/721804566.db2.gz OHWDWBDQEJYRJE-LDQXTDLNSA-N 2 1 378.524 2.254 20 0 GEADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc5c(nn4)CC[NH2+]C5)CC3)C2)cc1 ZINC001164940719 721929207 /nfs/dbraw/zinc/92/92/07/721929207.db2.gz YRDBXTDZTGLZKT-UHFFFAOYSA-N 2 1 393.535 2.302 20 0 GEADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975473 722099078 /nfs/dbraw/zinc/09/90/78/722099078.db2.gz BWJQKXYYBDTYSP-PMACEKPBSA-N 2 1 396.539 2.363 20 0 GEADMP Cc1[nH+]c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cc2[nH]ccc21 ZINC001165001589 722236502 /nfs/dbraw/zinc/23/65/02/722236502.db2.gz JUQXDLPNBXVLNR-UHFFFAOYSA-N 2 1 377.496 2.018 20 0 GEADMP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957822 531746885 /nfs/dbraw/zinc/74/68/85/531746885.db2.gz MLCHSNWLROTMSA-UHFFFAOYSA-N 2 1 385.961 2.404 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nnc(C(F)F)s1 ZINC000175652058 532109926 /nfs/dbraw/zinc/10/99/26/532109926.db2.gz MJEZOQFPMBMARQ-LLVKDONJSA-N 2 1 376.477 2.356 20 0 GEADMP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000516847789 532392473 /nfs/dbraw/zinc/39/24/73/532392473.db2.gz KWNZLWJFJBVMPW-KBPBESRZSA-N 2 1 398.345 2.394 20 0 GEADMP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000516847789 532392479 /nfs/dbraw/zinc/39/24/79/532392479.db2.gz KWNZLWJFJBVMPW-KBPBESRZSA-N 2 1 398.345 2.394 20 0 GEADMP C[C@H]1CN(CC(=O)NCc2ccc(Cl)s2)CC[N@@H+]1C1CCN(C)CC1 ZINC000373531994 532455449 /nfs/dbraw/zinc/45/54/49/532455449.db2.gz VMSZRCCUSAKXCN-AWEZNQCLSA-N 2 1 384.977 2.118 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ncc(Br)s1 ZINC000683405731 532458281 /nfs/dbraw/zinc/45/82/81/532458281.db2.gz QXOPTZKJKFIKPC-LBPRGKRZSA-N 2 1 389.363 2.394 20 0 GEADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282500694 532473066 /nfs/dbraw/zinc/47/30/66/532473066.db2.gz WQUNNUYTDPHIFI-UHFFFAOYSA-N 2 1 387.977 2.249 20 0 GEADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282500694 532473071 /nfs/dbraw/zinc/47/30/71/532473071.db2.gz WQUNNUYTDPHIFI-UHFFFAOYSA-N 2 1 387.977 2.249 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429451879 532477066 /nfs/dbraw/zinc/47/70/66/532477066.db2.gz MUTFVHUOUCMMQQ-MRXNPFEDSA-N 2 1 385.346 2.301 20 0 GEADMP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000295817159 532479218 /nfs/dbraw/zinc/47/92/18/532479218.db2.gz XKVVXYADWKOUPJ-QWHCGFSZSA-N 2 1 386.334 2.250 20 0 GEADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c2cccs2)CC1 ZINC000562736769 532480527 /nfs/dbraw/zinc/48/05/27/532480527.db2.gz DXUVUWBCXPWLPR-OAHLLOKOSA-N 2 1 399.607 2.291 20 0 GEADMP CC[N@H+]1CC[C@H](CNCc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000296582456 532528591 /nfs/dbraw/zinc/52/85/91/532528591.db2.gz WXIWQSSWPMTGEH-UONOGXRCSA-N 2 1 398.345 2.394 20 0 GEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000296582456 532528597 /nfs/dbraw/zinc/52/85/97/532528597.db2.gz WXIWQSSWPMTGEH-UONOGXRCSA-N 2 1 398.345 2.394 20 0 GEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000296582456 532528601 /nfs/dbraw/zinc/52/86/01/532528601.db2.gz WXIWQSSWPMTGEH-UONOGXRCSA-N 2 1 398.345 2.394 20 0 GEADMP Fc1cccc(Br)c1CN[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000376569399 532618286 /nfs/dbraw/zinc/61/82/86/532618286.db2.gz GKMKVPTVWZRJGV-AWEZNQCLSA-N 2 1 386.309 2.084 20 0 GEADMP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000474929546 532632239 /nfs/dbraw/zinc/63/22/39/532632239.db2.gz UIGNBOSBAQGHCP-CJNGLKHVSA-N 2 1 388.293 2.269 20 0 GEADMP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000474929546 532632246 /nfs/dbraw/zinc/63/22/46/532632246.db2.gz UIGNBOSBAQGHCP-CJNGLKHVSA-N 2 1 388.293 2.269 20 0 GEADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)cs1 ZINC000481182850 532666685 /nfs/dbraw/zinc/66/66/85/532666685.db2.gz ASZDJYYTQBZSEC-GOSISDBHSA-N 2 1 382.599 2.217 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1(C)C ZINC000567700280 532658766 /nfs/dbraw/zinc/65/87/66/532658766.db2.gz IRHVGMVUUOPNKK-OAHLLOKOSA-N 2 1 390.355 2.349 20 0 GEADMP CC(CC[NH+]1CCSC[C@@H]1CCO)CC[N@H+]1CCSC[C@@H]1CCO ZINC000411315211 532756131 /nfs/dbraw/zinc/75/61/31/532756131.db2.gz HMWAEMFVIHJOQN-ROUUACIJSA-N 2 1 376.632 2.002 20 0 GEADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000411509283 532763581 /nfs/dbraw/zinc/76/35/81/532763581.db2.gz UIMRFPLWPBYOMV-KRWDZBQOSA-N 2 1 398.345 2.061 20 0 GEADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000414759989 532834931 /nfs/dbraw/zinc/83/49/31/532834931.db2.gz POLNVAUOFDJPOB-CJNGLKHVSA-N 2 1 396.329 2.402 20 0 GEADMP C[C@@H]1CC[S@](=O)CC[NH+]1CCCCCC[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000369351507 532938944 /nfs/dbraw/zinc/93/89/44/532938944.db2.gz DIUOMGWYSHWPSB-VBVDBJQASA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1CC[S@](=O)CC[N@H+]1CCCCCC[NH+]1CC[S@@](=O)CC[C@@H]1C ZINC000369351507 532938945 /nfs/dbraw/zinc/93/89/45/532938945.db2.gz DIUOMGWYSHWPSB-VBVDBJQASA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1CC[S@](=O)CC[N@@H+]1CCCCCC[NH+]1CC[S@@](=O)CC[C@@H]1C ZINC000369351507 532938947 /nfs/dbraw/zinc/93/89/47/532938947.db2.gz DIUOMGWYSHWPSB-VBVDBJQASA-N 2 1 376.632 2.233 20 0 GEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000735856531 598762771 /nfs/dbraw/zinc/76/27/71/598762771.db2.gz JNPUQNNOLOFXPM-UHFFFAOYSA-N 2 1 385.516 2.248 20 0 GEADMP C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000735550241 598809357 /nfs/dbraw/zinc/80/93/57/598809357.db2.gz GVDQYMMWNOGXPY-GFCCVEGCSA-N 2 1 391.907 2.121 20 0 GEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000825459755 608499935 /nfs/dbraw/zinc/49/99/35/608499935.db2.gz MSQIBNRYJKZOEO-HXUWFJFHSA-N 2 1 383.544 2.251 20 0 GEADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000826509511 609381280 /nfs/dbraw/zinc/38/12/80/609381280.db2.gz XTEBJYXNZFRROJ-FQEVSTJZSA-N 2 1 378.480 2.113 20 0 GEADMP C[NH+](C)C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(Cl)c(Cl)c1 ZINC000530032975 650711144 /nfs/dbraw/zinc/71/11/44/650711144.db2.gz YFWNLLXZEPEOAX-IRXDYDNUSA-N 2 1 385.339 2.102 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000097575893 643096324 /nfs/dbraw/zinc/09/63/24/643096324.db2.gz YIWDTMZJAHHDAE-OAHLLOKOSA-N 2 1 388.965 2.080 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)cn1C ZINC000499499610 650885575 /nfs/dbraw/zinc/88/55/75/650885575.db2.gz QLKUAQWPIQGTQP-HNNXBMFYSA-N 2 1 385.350 2.276 20 0 GEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000179556964 644463377 /nfs/dbraw/zinc/46/33/77/644463377.db2.gz AQLCTZGOTQWPLQ-OLZOCXBDSA-N 2 1 380.432 2.431 20 0 GEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@H+]1C ZINC000179556964 644463379 /nfs/dbraw/zinc/46/33/79/644463379.db2.gz AQLCTZGOTQWPLQ-OLZOCXBDSA-N 2 1 380.432 2.431 20 0 GEADMP O=C([C@@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1)N1CC[NH2+]CC1 ZINC000261939179 645614191 /nfs/dbraw/zinc/61/41/91/645614191.db2.gz MKYGYYWJYRALBZ-CYBMUJFWSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1)N1CC[NH2+]CC1 ZINC000261939179 645614196 /nfs/dbraw/zinc/61/41/96/645614196.db2.gz MKYGYYWJYRALBZ-CYBMUJFWSA-N 2 1 384.293 2.232 20 0 GEADMP O=c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc2ccc(Br)cn12 ZINC000324221114 647300198 /nfs/dbraw/zinc/30/01/98/647300198.db2.gz RTBJYLORPFWJMP-CJNGLKHVSA-N 2 1 391.313 2.421 20 0 GEADMP O=c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc2ccc(Br)cn12 ZINC000324221114 647300202 /nfs/dbraw/zinc/30/02/02/647300202.db2.gz RTBJYLORPFWJMP-CJNGLKHVSA-N 2 1 391.313 2.421 20 0 GEADMP C[N@H+](C[C@H](O)CC(F)(F)F)[C@@H]1CCC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000364890804 647647761 /nfs/dbraw/zinc/64/77/61/647647761.db2.gz BNFGUFCPOPSBNK-JHJVBQTASA-N 2 1 380.373 2.399 20 0 GEADMP C[N@@H+](C[C@H](O)CC(F)(F)F)[C@@H]1CCC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000364890804 647647762 /nfs/dbraw/zinc/64/77/62/647647762.db2.gz BNFGUFCPOPSBNK-JHJVBQTASA-N 2 1 380.373 2.399 20 0 GEADMP C[NH+](C[C@H](O)CC(F)(F)F)[C@@H]1CCC[N@H+](C[C@H](O)CC(F)(F)F)CC1 ZINC000364890804 647647765 /nfs/dbraw/zinc/64/77/65/647647765.db2.gz BNFGUFCPOPSBNK-JHJVBQTASA-N 2 1 380.373 2.399 20 0 GEADMP C[NH+](C[C@H](O)CC(F)(F)F)[C@@H]1CCC[N@@H+](C[C@H](O)CC(F)(F)F)CC1 ZINC000364890804 647647769 /nfs/dbraw/zinc/64/77/69/647647769.db2.gz BNFGUFCPOPSBNK-JHJVBQTASA-N 2 1 380.373 2.399 20 0 GEADMP C[NH+]1CCC([NH+]2CCC(CCNc3ncc(Br)cn3)CC2)CC1 ZINC000371882972 647802110 /nfs/dbraw/zinc/80/21/10/647802110.db2.gz GDPMPLRJIRKZIX-UHFFFAOYSA-N 2 1 382.350 2.847 20 0 GEADMP C[C@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)[C@H]1CC[NH3+] ZINC000404267419 647907162 /nfs/dbraw/zinc/90/71/62/647907162.db2.gz IJJVSCCDALOTCC-WFASDCNBSA-N 2 1 379.302 2.406 20 0 GEADMP C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]1CC[NH3+] ZINC000404267416 647907215 /nfs/dbraw/zinc/90/72/15/647907215.db2.gz IJJVSCCDALOTCC-IUODEOHRSA-N 2 1 379.302 2.406 20 0 GEADMP C[NH2+]CCCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417892072 648264996 /nfs/dbraw/zinc/26/49/96/648264996.db2.gz QHNZQQMFKIDMCA-UHFFFAOYSA-N 2 1 383.334 2.322 20 0 GEADMP C[C@H]([NH3+])CCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417893885 648265137 /nfs/dbraw/zinc/26/51/37/648265137.db2.gz SIGPSWHLWVZVEZ-ZDUSSCGKSA-N 2 1 383.334 2.450 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@@H]2CCC[C@H]21 ZINC000556913839 651256894 /nfs/dbraw/zinc/25/68/94/651256894.db2.gz WNBNYZOAQJJQMN-LUKYLMHMSA-N 2 1 383.583 2.221 20 0 GEADMP CCOc1c(Br)cc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647493033 651748315 /nfs/dbraw/zinc/74/83/15/651748315.db2.gz QFYMQMJLIQWNJH-UHFFFAOYSA-N 2 1 386.334 2.193 20 0 GEADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000647517921 651749379 /nfs/dbraw/zinc/74/93/79/651749379.db2.gz UTDSXCZZIJQYEX-AWEZNQCLSA-N 2 1 377.312 2.170 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000617506965 651955784 /nfs/dbraw/zinc/95/57/84/651955784.db2.gz DNJSDUBBWRLZQR-LBPRGKRZSA-N 2 1 396.333 2.327 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000617506965 651955841 /nfs/dbraw/zinc/95/58/41/651955841.db2.gz DNJSDUBBWRLZQR-LBPRGKRZSA-N 2 1 396.333 2.327 20 0 GEADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000573464924 651958483 /nfs/dbraw/zinc/95/84/83/651958483.db2.gz CCPIHXZLAUFSTR-KRWDZBQOSA-N 2 1 395.345 2.465 20 0 GEADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H](C)CC(F)(F)F ZINC000656890349 652063051 /nfs/dbraw/zinc/06/30/51/652063051.db2.gz GZWMDMPDLPRKJA-LSDHHAIUSA-N 2 1 387.512 2.253 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H](C)CC(F)(F)F ZINC000656890349 652063056 /nfs/dbraw/zinc/06/30/56/652063056.db2.gz GZWMDMPDLPRKJA-LSDHHAIUSA-N 2 1 387.512 2.253 20 0 GEADMP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000657572631 652174818 /nfs/dbraw/zinc/17/48/18/652174818.db2.gz DIEQTAXLWJLKNQ-AWEZNQCLSA-N 2 1 375.966 2.105 20 0 GEADMP Cc1nn(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1Br ZINC000657595703 652177251 /nfs/dbraw/zinc/17/72/51/652177251.db2.gz JLWJXISLRSFHPO-INIZCTEOSA-N 2 1 393.329 2.347 20 0 GEADMP Cc1nn(C)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1Br ZINC000657595703 652177268 /nfs/dbraw/zinc/17/72/68/652177268.db2.gz JLWJXISLRSFHPO-INIZCTEOSA-N 2 1 393.329 2.347 20 0 GEADMP CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657597288 652177451 /nfs/dbraw/zinc/17/74/51/652177451.db2.gz SEXPHEREWJHLNE-INIZCTEOSA-N 2 1 380.535 2.008 20 0 GEADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000582301630 652444474 /nfs/dbraw/zinc/44/44/74/652444474.db2.gz NQRKSZURQHPRPJ-WBVHZDCISA-N 2 1 379.302 2.425 20 0 GEADMP [NH3+][C@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1Br ZINC000662446987 652461347 /nfs/dbraw/zinc/46/13/47/652461347.db2.gz LNXJTTMJOOSSGY-INIZCTEOSA-N 2 1 396.329 2.210 20 0 GEADMP [NH3+][C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000662467190 652462919 /nfs/dbraw/zinc/46/29/19/652462919.db2.gz QYCHTLQKKARMHO-GUYCJALGSA-N 2 1 396.329 2.066 20 0 GEADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662487035 652463762 /nfs/dbraw/zinc/46/37/62/652463762.db2.gz PEESCRYSWJFNSE-PBHICJAKSA-N 2 1 398.345 2.408 20 0 GEADMP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662490868 652464082 /nfs/dbraw/zinc/46/40/82/652464082.db2.gz LWICBLUFQZSKMG-KRWDZBQOSA-N 2 1 398.345 2.408 20 0 GEADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H](N)c2ccccc2Br)C[C@H](C)O1 ZINC000662688572 652470675 /nfs/dbraw/zinc/47/06/75/652470675.db2.gz QIDOVXDHWBLMPQ-VBQJREDUSA-N 2 1 398.345 2.455 20 0 GEADMP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@H](C)O1 ZINC000662688572 652470677 /nfs/dbraw/zinc/47/06/77/652470677.db2.gz QIDOVXDHWBLMPQ-VBQJREDUSA-N 2 1 398.345 2.455 20 0 GEADMP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662756058 652473528 /nfs/dbraw/zinc/47/35/28/652473528.db2.gz HGRWMPFSBHSOBB-DYVFJYSZSA-N 2 1 387.355 2.396 20 0 GEADMP C[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](C)[S@](=O)CC2)CC[S@]1=O ZINC000759866664 652589496 /nfs/dbraw/zinc/58/94/96/652589496.db2.gz GZABLFNYSIGYIH-GRJZNYKUSA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](C)[S@](=O)CC2)CC[S@]1=O ZINC000759866664 652589499 /nfs/dbraw/zinc/58/94/99/652589499.db2.gz GZABLFNYSIGYIH-GRJZNYKUSA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](C)[S@](=O)CC2)CC[S@]1=O ZINC000759866664 652589501 /nfs/dbraw/zinc/58/95/01/652589501.db2.gz GZABLFNYSIGYIH-GRJZNYKUSA-N 2 1 376.632 2.233 20 0 GEADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000669533803 652704906 /nfs/dbraw/zinc/70/49/06/652704906.db2.gz CCPIHXZLAUFSTR-QGZVFWFLSA-N 2 1 395.345 2.465 20 0 GEADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Br)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764463827 652801527 /nfs/dbraw/zinc/80/15/27/652801527.db2.gz ACXPQRPGVUYXQE-ATZDWAIDSA-N 2 1 396.373 2.440 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(I)s2)CC1(C)C ZINC000602657257 653198788 /nfs/dbraw/zinc/19/87/88/653198788.db2.gz QXRSTMXIQGOVRR-UHFFFAOYSA-N 2 1 393.338 2.468 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818975811 653739733 /nfs/dbraw/zinc/73/97/33/653739733.db2.gz XSIRVLNSMTWZSF-MRXNPFEDSA-N 2 1 375.282 2.322 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818975171 653739740 /nfs/dbraw/zinc/73/97/40/653739740.db2.gz JVKUIOZFEKWFIM-KRWDZBQOSA-N 2 1 389.309 2.496 20 0 GEADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000818997791 653740438 /nfs/dbraw/zinc/74/04/38/653740438.db2.gz LDHUXFQXQOAGCD-DLBZAZTESA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000818997791 653740442 /nfs/dbraw/zinc/74/04/42/653740442.db2.gz LDHUXFQXQOAGCD-DLBZAZTESA-N 2 1 398.345 2.015 20 0 GEADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)C2 ZINC000843111501 653779632 /nfs/dbraw/zinc/77/96/32/653779632.db2.gz FLTOLUOHWDNUKO-ACJLOTCBSA-N 2 1 394.313 2.127 20 0 GEADMP C[NH+]1CCN([C@@H](CNC(=[NH2+])NCCc2cccs2)c2cccs2)CC1 ZINC000849055335 654003643 /nfs/dbraw/zinc/00/36/43/654003643.db2.gz PQKIMJXLJQRLQV-INIZCTEOSA-N 2 1 377.583 2.455 20 0 GEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000903434928 654239099 /nfs/dbraw/zinc/23/90/99/654239099.db2.gz MXOFNBFHCAHPFS-QWHCGFSZSA-N 2 1 377.963 2.225 20 0 GEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)cnn1C ZINC000903898189 654291120 /nfs/dbraw/zinc/29/11/20/654291120.db2.gz LSNOBYSASIHLCL-KSSFIOAISA-N 2 1 395.345 2.274 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)nc1C ZINC000804978800 654330600 /nfs/dbraw/zinc/33/06/00/654330600.db2.gz CUAVZWDWPIORCL-HNNXBMFYSA-N 2 1 388.965 2.080 20 0 GEADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Br)nn3C)C2)[C@@H]1C(C)C ZINC000922394711 654389477 /nfs/dbraw/zinc/38/94/77/654389477.db2.gz RPFHLHWXHAGEGS-TXCZRRACSA-N 2 1 385.350 2.142 20 0 GEADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3c(Br)cnn3C)C2)[C@H]1C(C)C ZINC000922395400 654389945 /nfs/dbraw/zinc/38/99/45/654389945.db2.gz XFVMLOWZAPDDJL-MWQQHZPXSA-N 2 1 385.350 2.142 20 0 GEADMP C[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000923334731 654445436 /nfs/dbraw/zinc/44/54/36/654445436.db2.gz JPEHXUVHDGOPMH-LSDHHAIUSA-N 2 1 375.282 2.402 20 0 GEADMP C[C@]12CC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C[C@H]1C2(Br)Br ZINC000923385646 654447763 /nfs/dbraw/zinc/44/77/63/654447763.db2.gz FPSYDUDCUXKODW-UTUOFQBUSA-N 2 1 394.151 2.193 20 0 GEADMP C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484753 654455472 /nfs/dbraw/zinc/45/54/72/654455472.db2.gz BNTJCGANRYUTJF-RYUDHWBXSA-N 2 1 387.265 2.289 20 0 GEADMP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487267 654456012 /nfs/dbraw/zinc/45/60/12/654456012.db2.gz YEIOGFIPBYHYEX-VXGBXAGGSA-N 2 1 387.265 2.289 20 0 GEADMP C[C@@H]1C[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC[C@H]1C[NH3+] ZINC000923494531 654456794 /nfs/dbraw/zinc/45/67/94/654456794.db2.gz YMZKDVLNUMDVFX-XUJVJEKNSA-N 2 1 375.282 2.245 20 0 GEADMP O=C(C[NH2+]Cc1cnc(CC(F)(F)F)s1)NCC[NH+]1CCCCCC1 ZINC000894600238 654489050 /nfs/dbraw/zinc/48/90/50/654489050.db2.gz BVBQQKXGZWPEND-UHFFFAOYSA-N 2 1 378.464 2.330 20 0 GEADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1Br ZINC000907636946 654562561 /nfs/dbraw/zinc/56/25/61/654562561.db2.gz VMUAARQXMMLMHW-KRWDZBQOSA-N 2 1 384.318 2.296 20 0 GEADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc1Br ZINC000907636946 654562567 /nfs/dbraw/zinc/56/25/67/654562567.db2.gz VMUAARQXMMLMHW-KRWDZBQOSA-N 2 1 384.318 2.296 20 0 GEADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC[S@](=O)C(F)(F)F)CC2)CC1 ZINC000929810855 654692568 /nfs/dbraw/zinc/69/25/68/654692568.db2.gz ZQFMHOSUBQAHJM-VWLOTQADSA-N 2 1 383.524 2.383 20 0 GEADMP C[N@H+](CCC1CCN(C2CC[NH+](C)CC2)CC1)CC[S@](=O)C(F)(F)F ZINC000929810855 654692571 /nfs/dbraw/zinc/69/25/71/654692571.db2.gz ZQFMHOSUBQAHJM-VWLOTQADSA-N 2 1 383.524 2.383 20 0 GEADMP C[N@@H+](CCC1CCN(C2CC[NH+](C)CC2)CC1)CC[S@](=O)C(F)(F)F ZINC000929810855 654692572 /nfs/dbraw/zinc/69/25/72/654692572.db2.gz ZQFMHOSUBQAHJM-VWLOTQADSA-N 2 1 383.524 2.383 20 0 GEADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483343 654743692 /nfs/dbraw/zinc/74/36/92/654743692.db2.gz HMGGLPMONIOIFK-UHFFFAOYSA-N 2 1 388.339 2.340 20 0 GEADMP C[NH+](C)CC1(O)CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000931488038 654743934 /nfs/dbraw/zinc/74/39/34/654743934.db2.gz LQQFYUCAEDBTSU-UHFFFAOYSA-N 2 1 395.301 2.388 20 0 GEADMP C[NH+]1CCN(c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)CC1 ZINC001164620367 719056717 /nfs/dbraw/zinc/05/67/17/719056717.db2.gz GJYDIKHTUGTKJX-LEWJYISDSA-N 2 1 392.551 2.329 20 0 GEADMP COC(=O)c1ccc(Cl)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685255 719602799 /nfs/dbraw/zinc/60/27/99/719602799.db2.gz UHYTWWOIEFFFDM-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COC(=O)c1ccc(Cl)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685255 719602809 /nfs/dbraw/zinc/60/28/09/719602809.db2.gz UHYTWWOIEFFFDM-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COC(=O)c1ccc2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164682529 719607193 /nfs/dbraw/zinc/60/71/93/719607193.db2.gz DPCKPFNJOMMAKV-UHFFFAOYSA-N 2 1 394.479 2.088 20 0 GEADMP COC(=O)c1ccc2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164682529 719607198 /nfs/dbraw/zinc/60/71/98/719607198.db2.gz DPCKPFNJOMMAKV-UHFFFAOYSA-N 2 1 394.479 2.088 20 0 GEADMP COc1cc2ncc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2cc1OC ZINC001164683439 719618457 /nfs/dbraw/zinc/61/84/57/719618457.db2.gz SHWKWIKCNZKHEY-UHFFFAOYSA-N 2 1 396.495 2.319 20 0 GEADMP COc1cc2ncc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2cc1OC ZINC001164683439 719618461 /nfs/dbraw/zinc/61/84/61/719618461.db2.gz SHWKWIKCNZKHEY-UHFFFAOYSA-N 2 1 396.495 2.319 20 0 GEADMP COCc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(SC)n1 ZINC001164684606 719621235 /nfs/dbraw/zinc/62/12/35/719621235.db2.gz VIHUPPPDPYOXQI-UHFFFAOYSA-N 2 1 376.530 2.017 20 0 GEADMP COCc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(SC)n1 ZINC001164684606 719621242 /nfs/dbraw/zinc/62/12/42/719621242.db2.gz VIHUPPPDPYOXQI-UHFFFAOYSA-N 2 1 376.530 2.017 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(OCC3CC[NH2+]CC3)cn2)c2c1CC[NH2+]C2 ZINC001164680367 719652404 /nfs/dbraw/zinc/65/24/04/719652404.db2.gz GAJRSPMTHTVRAC-UHFFFAOYSA-N 3 1 398.555 2.132 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(OCC3CC[NH2+]CC3)cn2)c2c1CC[NH2+]C2 ZINC001164680367 719652409 /nfs/dbraw/zinc/65/24/09/719652409.db2.gz GAJRSPMTHTVRAC-UHFFFAOYSA-N 3 1 398.555 2.132 20 0 GEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164807111 720125050 /nfs/dbraw/zinc/12/50/50/720125050.db2.gz BKPHHOCOYZFEPO-XMSQKQJNSA-N 2 1 399.539 2.262 20 0 GEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164807111 720125054 /nfs/dbraw/zinc/12/50/54/720125054.db2.gz BKPHHOCOYZFEPO-XMSQKQJNSA-N 2 1 399.539 2.262 20 0 GEADMP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164721829 720405552 /nfs/dbraw/zinc/40/55/52/720405552.db2.gz BJJVSMGPUWHPPO-PMACEKPBSA-N 2 1 378.524 2.082 20 0 GEADMP c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)nn2)c1 ZINC001164726790 720467198 /nfs/dbraw/zinc/46/71/98/720467198.db2.gz MAFKKCUYRXPURF-PMACEKPBSA-N 2 1 394.523 2.103 20 0 GEADMP CN(C)c1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164738384 720827132 /nfs/dbraw/zinc/82/71/32/720827132.db2.gz FEIMAPBGKDTFSX-YSIASYRMSA-N 2 1 381.528 2.119 20 0 GEADMP c1cn(-c2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2)cn1 ZINC001164983847 722149203 /nfs/dbraw/zinc/14/92/03/722149203.db2.gz VTPAKDKLEBLYSY-CTNGQTDRSA-N 2 1 390.491 2.390 20 0 GEADMP c1cn(-c2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)cn1 ZINC001164983850 722149550 /nfs/dbraw/zinc/14/95/50/722149550.db2.gz VTPAKDKLEBLYSY-PZJWPPBQSA-N 2 1 390.491 2.390 20 0 GEADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(N4CC[NH2+]CC4)nn2)C3)c1 ZINC001164994577 722195156 /nfs/dbraw/zinc/19/51/56/722195156.db2.gz ODERXKWZTAWFAH-JOCHJYFZSA-N 2 1 396.514 2.270 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(F)ccc1F ZINC000060348573 531840240 /nfs/dbraw/zinc/84/02/40/531840240.db2.gz RLALVUCDMSJZPR-HNNXBMFYSA-N 2 1 375.485 2.001 20 0 GEADMP CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000168954776 531881066 /nfs/dbraw/zinc/88/10/66/531881066.db2.gz BCUJMCLJQBWRCE-HUUCEWRRSA-N 2 1 375.460 2.476 20 0 GEADMP CN(CC[N@@H+](C)C[C@H](O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000180940440 532286630 /nfs/dbraw/zinc/28/66/30/532286630.db2.gz XZWZGLSTGVHWBC-SFHVURJKSA-N 2 1 384.362 2.440 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@H]2CCC[C@H]21 ZINC000560538290 532419814 /nfs/dbraw/zinc/41/98/14/532419814.db2.gz VWBXDYGONHHVPE-VNQPRFMTSA-N 2 1 389.924 2.220 20 0 GEADMP CN(CCC[N@@H+](C)Cc1cn2ccc(Br)cc2n1)CC[NH+](C)C ZINC000685847944 532499698 /nfs/dbraw/zinc/49/96/98/532499698.db2.gz VWLGKADQLCGMFH-UHFFFAOYSA-N 2 1 382.350 2.412 20 0 GEADMP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470004741 532518728 /nfs/dbraw/zinc/51/87/28/532518728.db2.gz URDVZCYXTPKCPJ-OAHLLOKOSA-N 2 1 396.329 2.102 20 0 GEADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470004741 532518732 /nfs/dbraw/zinc/51/87/32/532518732.db2.gz URDVZCYXTPKCPJ-OAHLLOKOSA-N 2 1 396.329 2.102 20 0 GEADMP O[C@@H](C[NH2+][C@H]1CCc2ccc(I)cc21)C[NH+]1CCCC1 ZINC000595017262 532541320 /nfs/dbraw/zinc/54/13/20/532541320.db2.gz LEQIQYYEXUQDSW-HOCLYGCPSA-N 2 1 386.277 2.325 20 0 GEADMP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNC[C@@H]1CCC[N@@H+]1C ZINC000296597366 532530529 /nfs/dbraw/zinc/53/05/29/532530529.db2.gz YFDLRXCUNZPNAO-DOMZBBRYSA-N 2 1 384.318 2.146 20 0 GEADMP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNC[C@@H]1CCC[N@H+]1C ZINC000296597366 532530533 /nfs/dbraw/zinc/53/05/33/532530533.db2.gz YFDLRXCUNZPNAO-DOMZBBRYSA-N 2 1 384.318 2.146 20 0 GEADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(=O)n3cc(Br)ccc3n1)CC[NH2+]CC2 ZINC000564832586 532534629 /nfs/dbraw/zinc/53/46/29/532534629.db2.gz LNDHPPUQBHXOBK-CYBMUJFWSA-N 2 1 391.313 2.421 20 0 GEADMP [NH3+]C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000655912815 532602588 /nfs/dbraw/zinc/60/25/88/532602588.db2.gz QCSAJBNMLKGNDQ-AWEZNQCLSA-N 2 1 378.826 2.447 20 0 GEADMP [NH3+]C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000655912815 532602589 /nfs/dbraw/zinc/60/25/89/532602589.db2.gz QCSAJBNMLKGNDQ-AWEZNQCLSA-N 2 1 378.826 2.447 20 0 GEADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCOc1ccc(Br)cc1 ZINC000436057129 532625453 /nfs/dbraw/zinc/62/54/53/532625453.db2.gz UZGGBWRHKVUDHJ-HNNXBMFYSA-N 2 1 384.318 2.147 20 0 GEADMP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442792173 532734739 /nfs/dbraw/zinc/73/47/39/532734739.db2.gz PHNDQXOFAQRJRG-UTUOFQBUSA-N 2 1 387.265 2.287 20 0 GEADMP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442792173 532734745 /nfs/dbraw/zinc/73/47/45/532734745.db2.gz PHNDQXOFAQRJRG-UTUOFQBUSA-N 2 1 387.265 2.287 20 0 GEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(I)cc3)C[C@@H]21 ZINC000584529915 532768143 /nfs/dbraw/zinc/76/81/43/532768143.db2.gz FFFIQNJNFYOYMI-TUKIKUTGSA-N 2 1 399.276 2.289 20 0 GEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(I)cc3)C[C@@H]21 ZINC000584529915 532768148 /nfs/dbraw/zinc/76/81/48/532768148.db2.gz FFFIQNJNFYOYMI-TUKIKUTGSA-N 2 1 399.276 2.289 20 0 GEADMP C[NH2+]CCC[N@H+](C)Cc1cc(I)c(OC)c(OC)c1 ZINC000415124513 532837803 /nfs/dbraw/zinc/83/78/03/532837803.db2.gz CIEFOHPVPKAIPS-UHFFFAOYSA-N 2 1 378.254 2.350 20 0 GEADMP C[NH2+]CCC[N@@H+](C)Cc1cc(I)c(OC)c(OC)c1 ZINC000415124513 532837805 /nfs/dbraw/zinc/83/78/05/532837805.db2.gz CIEFOHPVPKAIPS-UHFFFAOYSA-N 2 1 378.254 2.350 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000415097196 532838179 /nfs/dbraw/zinc/83/81/79/532838179.db2.gz SBZRVZNLEXYAGH-XJKSGUPXSA-N 2 1 381.318 2.178 20 0 GEADMP CCOCCOc1ccc(Br)cc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000415136208 532838902 /nfs/dbraw/zinc/83/89/02/532838902.db2.gz CGKBKECLAQTFSY-UHFFFAOYSA-N 2 1 387.318 2.150 20 0 GEADMP COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC(Nc3cccc(C)[nH+]3)CC2)CC1 ZINC000359874256 206265402 /nfs/dbraw/zinc/26/54/02/206265402.db2.gz MSCYGWOLKOUIND-INIZCTEOSA-N 2 1 388.512 2.066 20 0 GEADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000359977781 206276205 /nfs/dbraw/zinc/27/62/05/206276205.db2.gz MDLMYBPQKTZLEG-IEBWSBKVSA-N 2 1 387.532 2.040 20 0 GEADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000359977781 206276210 /nfs/dbraw/zinc/27/62/10/206276210.db2.gz MDLMYBPQKTZLEG-IEBWSBKVSA-N 2 1 387.532 2.040 20 0 GEADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000274737966 532855363 /nfs/dbraw/zinc/85/53/63/532855363.db2.gz CBKBMBKWIBERNY-UHFFFAOYSA-N 2 1 388.961 2.459 20 0 GEADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000360874046 532891282 /nfs/dbraw/zinc/89/12/82/532891282.db2.gz ZHPHOOVKHKCAON-UHFFFAOYSA-N 2 1 382.555 2.476 20 0 GEADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736565552 598980564 /nfs/dbraw/zinc/98/05/64/598980564.db2.gz LKZGEUBRQONBRL-UHFFFAOYSA-N 2 1 391.907 2.265 20 0 GEADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736565552 598980565 /nfs/dbraw/zinc/98/05/65/598980565.db2.gz LKZGEUBRQONBRL-UHFFFAOYSA-N 2 1 391.907 2.265 20 0 GEADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000736199925 599338058 /nfs/dbraw/zinc/33/80/58/599338058.db2.gz ZLGBXFCSBGCBPT-KSZLIROESA-N 2 1 383.544 2.418 20 0 GEADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822964092 599642008 /nfs/dbraw/zinc/64/20/08/599642008.db2.gz CSQHLRHTZWYPPW-MRXNPFEDSA-N 2 1 383.500 2.003 20 0 GEADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000822324136 606860098 /nfs/dbraw/zinc/86/00/98/606860098.db2.gz WIFVWSQBOFXICV-YJBOKZPZSA-N 2 1 379.468 2.038 20 0 GEADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000822324136 606860100 /nfs/dbraw/zinc/86/01/00/606860100.db2.gz WIFVWSQBOFXICV-YJBOKZPZSA-N 2 1 379.468 2.038 20 0 GEADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626479 609345716 /nfs/dbraw/zinc/34/57/16/609345716.db2.gz OWWRZVPOQZEOGL-CYBMUJFWSA-N 2 1 385.447 2.192 20 0 GEADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626480 609345874 /nfs/dbraw/zinc/34/58/74/609345874.db2.gz OWWRZVPOQZEOGL-ZDUSSCGKSA-N 2 1 385.447 2.192 20 0 GEADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824627336 609407570 /nfs/dbraw/zinc/40/75/70/609407570.db2.gz XDOWKXHMSZCGAG-FOIQADDNSA-N 2 1 378.480 2.284 20 0 GEADMP CSc1ccc([C@@H](CNC(=O)NCC[NH+]2CCSCC2)[NH+](C)C)cc1 ZINC000458387013 650401625 /nfs/dbraw/zinc/40/16/25/650401625.db2.gz OJDOJVJOBZBVPW-QGZVFWFLSA-N 2 1 382.599 2.359 20 0 GEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ncc(I)s1 ZINC000512030038 650544338 /nfs/dbraw/zinc/54/43/38/650544338.db2.gz GJOURLLYAQFVPN-LLVKDONJSA-N 2 1 395.310 2.074 20 0 GEADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000513884878 650570765 /nfs/dbraw/zinc/57/07/65/650570765.db2.gz GSNICPRZNFBJNV-SJLPKXTDSA-N 2 1 386.323 2.047 20 0 GEADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000513884878 650570767 /nfs/dbraw/zinc/57/07/67/650570767.db2.gz GSNICPRZNFBJNV-SJLPKXTDSA-N 2 1 386.323 2.047 20 0 GEADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000513884879 650571041 /nfs/dbraw/zinc/57/10/41/650571041.db2.gz GSNICPRZNFBJNV-WMZOPIPTSA-N 2 1 386.323 2.047 20 0 GEADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000513884879 650571045 /nfs/dbraw/zinc/57/10/45/650571045.db2.gz GSNICPRZNFBJNV-WMZOPIPTSA-N 2 1 386.323 2.047 20 0 GEADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1ccc(Cl)cc1Cl ZINC000514861652 650581543 /nfs/dbraw/zinc/58/15/43/650581543.db2.gz NOEYYKTZHKEHQS-HNNXBMFYSA-N 2 1 377.312 2.170 20 0 GEADMP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000479070971 650595550 /nfs/dbraw/zinc/59/55/50/650595550.db2.gz QVIPTNBROMNCNS-IUODEOHRSA-N 2 1 376.282 2.124 20 0 GEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000545150291 650962778 /nfs/dbraw/zinc/96/27/78/650962778.db2.gz SDZNALKTRNZBBE-CYBMUJFWSA-N 2 1 378.108 2.368 20 0 GEADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000545150291 650962780 /nfs/dbraw/zinc/96/27/80/650962780.db2.gz SDZNALKTRNZBBE-CYBMUJFWSA-N 2 1 378.108 2.368 20 0 GEADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248450386 645526899 /nfs/dbraw/zinc/52/68/99/645526899.db2.gz OXOUUDGRYBGXGA-KBXCAEBGSA-N 2 1 393.329 2.391 20 0 GEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C[C@H]21 ZINC000391428242 647893639 /nfs/dbraw/zinc/89/36/39/647893639.db2.gz JLRJRYQMNGGLRX-KCPJHIHWSA-N 2 1 377.286 2.016 20 0 GEADMP COc1ccc(Br)cc1C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414675355 648099342 /nfs/dbraw/zinc/09/93/42/648099342.db2.gz FUGBFCKEOOJVBV-CYBMUJFWSA-N 2 1 384.318 2.087 20 0 GEADMP [NH3+]C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000417882311 648264454 /nfs/dbraw/zinc/26/44/54/648264454.db2.gz GBBWAEYGEQBGIQ-QGZVFWFLSA-N 2 1 395.345 2.450 20 0 GEADMP [NH3+]C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000417882309 648264594 /nfs/dbraw/zinc/26/45/94/648264594.db2.gz GBBWAEYGEQBGIQ-KRWDZBQOSA-N 2 1 395.345 2.450 20 0 GEADMP CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420353467 648414150 /nfs/dbraw/zinc/41/41/50/648414150.db2.gz BXLLNUSKXWDXAM-INIZCTEOSA-N 2 1 398.345 2.264 20 0 GEADMP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)cc1F ZINC000423376654 648590210 /nfs/dbraw/zinc/59/02/10/648590210.db2.gz DWPSINCTFUTHAI-CABZTGNLSA-N 2 1 399.230 2.470 20 0 GEADMP C[NH+]1CCN(C(=O)CC[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000429675927 648750483 /nfs/dbraw/zinc/75/04/83/648750483.db2.gz ICQFNELQQWMERA-UHFFFAOYSA-N 2 1 388.339 2.342 20 0 GEADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000429675927 648750487 /nfs/dbraw/zinc/75/04/87/648750487.db2.gz ICQFNELQQWMERA-UHFFFAOYSA-N 2 1 388.339 2.342 20 0 GEADMP C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442799090 648848966 /nfs/dbraw/zinc/84/89/66/648848966.db2.gz YRTHRRVHMVIZOF-WOPDTQHZSA-N 2 1 387.265 2.287 20 0 GEADMP C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442799090 648848968 /nfs/dbraw/zinc/84/89/68/648848968.db2.gz YRTHRRVHMVIZOF-WOPDTQHZSA-N 2 1 387.265 2.287 20 0 GEADMP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442799087 648848986 /nfs/dbraw/zinc/84/89/86/648848986.db2.gz YRTHRRVHMVIZOF-UTUOFQBUSA-N 2 1 387.265 2.287 20 0 GEADMP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442799087 648848989 /nfs/dbraw/zinc/84/89/89/648848989.db2.gz YRTHRRVHMVIZOF-UTUOFQBUSA-N 2 1 387.265 2.287 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@@H]2CCC[C@@H]21 ZINC000552266372 651145276 /nfs/dbraw/zinc/14/52/76/651145276.db2.gz JJBDCYLKOKXNML-BPUTZDHNSA-N 2 1 389.924 2.220 20 0 GEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000651976301 651909237 /nfs/dbraw/zinc/90/92/37/651909237.db2.gz FJAHPDSBBZMFLB-UHFFFAOYSA-N 2 1 392.363 2.164 20 0 GEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000651976301 651909249 /nfs/dbraw/zinc/90/92/49/651909249.db2.gz FJAHPDSBBZMFLB-UHFFFAOYSA-N 2 1 392.363 2.164 20 0 GEADMP COc1ccc(Br)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000617503639 651954682 /nfs/dbraw/zinc/95/46/82/651954682.db2.gz SADRQACKOISTSA-ZDUSSCGKSA-N 2 1 386.334 2.460 20 0 GEADMP COc1ccc(Br)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617503639 651954687 /nfs/dbraw/zinc/95/46/87/651954687.db2.gz SADRQACKOISTSA-ZDUSSCGKSA-N 2 1 386.334 2.460 20 0 GEADMP O=c1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc2ccc(Br)cn12 ZINC000574519492 652027103 /nfs/dbraw/zinc/02/71/03/652027103.db2.gz MSLDYVDVYYZSPO-UONOGXRCSA-N 2 1 391.313 2.279 20 0 GEADMP O=c1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc2ccc(Br)cn12 ZINC000574519490 652027143 /nfs/dbraw/zinc/02/71/43/652027143.db2.gz MSLDYVDVYYZSPO-KBPBESRZSA-N 2 1 391.313 2.279 20 0 GEADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000577178087 652168487 /nfs/dbraw/zinc/16/84/87/652168487.db2.gz FQHPCXIJYUHCQY-JKSUJKDBSA-N 2 1 391.339 2.416 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCc3ccc(F)c(Br)c3C2)C1 ZINC000623238786 652228788 /nfs/dbraw/zinc/22/87/88/652228788.db2.gz SSNNYMQBWBINST-LBPRGKRZSA-N 2 1 384.293 2.144 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCc3ccc(F)c(Br)c3C2)C1 ZINC000623238786 652228796 /nfs/dbraw/zinc/22/87/96/652228796.db2.gz SSNNYMQBWBINST-LBPRGKRZSA-N 2 1 384.293 2.144 20 0 GEADMP C[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1(C)C ZINC000623515686 652244287 /nfs/dbraw/zinc/24/42/87/652244287.db2.gz LBFAACIUHKXCTQ-CYBMUJFWSA-N 2 1 377.913 2.220 20 0 GEADMP C[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1(C)C ZINC000623515686 652244296 /nfs/dbraw/zinc/24/42/96/652244296.db2.gz LBFAACIUHKXCTQ-CYBMUJFWSA-N 2 1 377.913 2.220 20 0 GEADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000580166914 652368316 /nfs/dbraw/zinc/36/83/16/652368316.db2.gz WXCOLUXTEVQTQJ-HNNXBMFYSA-N 2 1 380.330 2.481 20 0 GEADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000580166914 652368320 /nfs/dbraw/zinc/36/83/20/652368320.db2.gz WXCOLUXTEVQTQJ-HNNXBMFYSA-N 2 1 380.330 2.481 20 0 GEADMP CN(C)C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000625982465 652377886 /nfs/dbraw/zinc/37/78/86/652377886.db2.gz AFUBGASIVMZTAS-QGZVFWFLSA-N 2 1 387.355 2.350 20 0 GEADMP O=C(N[C@@H]1CC[NH2+]C1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000627000094 652410887 /nfs/dbraw/zinc/41/08/87/652410887.db2.gz JWQGUAKQUVJSNP-MRXNPFEDSA-N 2 1 381.318 2.075 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250118 652454352 /nfs/dbraw/zinc/45/43/52/652454352.db2.gz YHACZYUDRGBIMC-CQSZACIVSA-N 2 1 382.302 2.149 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250118 652454356 /nfs/dbraw/zinc/45/43/56/652454356.db2.gz YHACZYUDRGBIMC-CQSZACIVSA-N 2 1 382.302 2.149 20 0 GEADMP [NH3+][C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccccc1Br ZINC000662467012 652463091 /nfs/dbraw/zinc/46/30/91/652463091.db2.gz LKAFQUBDGGPWBX-KRWDZBQOSA-N 2 1 396.329 2.020 20 0 GEADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662487036 652463731 /nfs/dbraw/zinc/46/37/31/652463731.db2.gz PEESCRYSWJFNSE-RHSMWYFYSA-N 2 1 398.345 2.408 20 0 GEADMP C[NH2+][C@@H](C(=O)NCCN(C)CCC[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662630945 652469722 /nfs/dbraw/zinc/46/97/22/652469722.db2.gz JEAXYUDIAYOAFB-MRXNPFEDSA-N 2 1 375.344 2.254 20 0 GEADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H](N)c2ccccc2Br)C[C@H](C)O1 ZINC000662688571 652470738 /nfs/dbraw/zinc/47/07/38/652470738.db2.gz QIDOVXDHWBLMPQ-JKIFEVAISA-N 2 1 398.345 2.455 20 0 GEADMP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]([NH3+])c2ccccc2Br)C[C@H](C)O1 ZINC000662688571 652470740 /nfs/dbraw/zinc/47/07/40/652470740.db2.gz QIDOVXDHWBLMPQ-JKIFEVAISA-N 2 1 398.345 2.455 20 0 GEADMP [NH3+][C@@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000662832264 652475720 /nfs/dbraw/zinc/47/57/20/652475720.db2.gz GYIMLMPIPYFJHJ-WMLDXEAASA-N 2 1 396.329 2.162 20 0 GEADMP C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000628968855 652476494 /nfs/dbraw/zinc/47/64/94/652476494.db2.gz SZYZYSGPPLFTJD-CXAGYDPISA-N 2 1 387.355 2.348 20 0 GEADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1cccc(Br)c1 ZINC000663364547 652495128 /nfs/dbraw/zinc/49/51/28/652495128.db2.gz RTCAOAAIYPTDDH-DLBZAZTESA-N 2 1 399.329 2.032 20 0 GEADMP C[NH+](CCNc1ncnc(NCC[N@H+](C)C2CC2)c1Br)C1CC1 ZINC000663423503 652498301 /nfs/dbraw/zinc/49/83/01/652498301.db2.gz CMFWDSNCOMRXOO-UHFFFAOYSA-N 2 1 383.338 2.251 20 0 GEADMP O=C(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Nc1cccc(Br)c1 ZINC000584834047 652530874 /nfs/dbraw/zinc/53/08/74/652530874.db2.gz OCSLJNCPTCFFOO-ARFHVFGLSA-N 2 1 382.302 2.134 20 0 GEADMP C[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](C)[S@](=O)CC2)CC[S@@]1=O ZINC000759866673 652589838 /nfs/dbraw/zinc/58/98/38/652589838.db2.gz GZABLFNYSIGYIH-ZJYDQZTPSA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](C)[S@](=O)CC2)CC[S@@]1=O ZINC000759866673 652589842 /nfs/dbraw/zinc/58/98/42/652589842.db2.gz GZABLFNYSIGYIH-ZJYDQZTPSA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](C)[S@](=O)CC2)CC[S@@]1=O ZINC000759866673 652589845 /nfs/dbraw/zinc/58/98/45/652589845.db2.gz GZABLFNYSIGYIH-ZJYDQZTPSA-N 2 1 376.632 2.233 20 0 GEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000671098967 652778799 /nfs/dbraw/zinc/77/87/99/652778799.db2.gz WDLLXPOFXOPJBB-MRXNPFEDSA-N 2 1 399.377 2.007 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000679319408 653143842 /nfs/dbraw/zinc/14/38/42/653143842.db2.gz YYPXJAJRYRYQGU-HNNXBMFYSA-N 2 1 390.355 2.302 20 0 GEADMP Cc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1Br ZINC000641138580 653161717 /nfs/dbraw/zinc/16/17/17/653161717.db2.gz DWRUDNVZPALYBY-UHFFFAOYSA-N 2 1 378.318 2.363 20 0 GEADMP Cn1nc(Br)cc1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000841103688 653706405 /nfs/dbraw/zinc/70/64/05/653706405.db2.gz INTYLJLFPWIYQB-UHFFFAOYSA-N 2 1 392.345 2.266 20 0 GEADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000881415476 653730105 /nfs/dbraw/zinc/73/01/05/653730105.db2.gz UQYDIUXQTCGQHI-KRWDZBQOSA-N 2 1 384.311 2.284 20 0 GEADMP O=C(CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cccc(Br)c1 ZINC000818986585 653739873 /nfs/dbraw/zinc/73/98/73/653739873.db2.gz QDJIJTUBQLWJIR-HOTGVXAUSA-N 2 1 382.302 2.231 20 0 GEADMP O=C(CC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cccc(Br)c1 ZINC000818986585 653739876 /nfs/dbraw/zinc/73/98/76/653739876.db2.gz QDJIJTUBQLWJIR-HOTGVXAUSA-N 2 1 382.302 2.231 20 0 GEADMP O=C(CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(Br)cc1 ZINC000818986356 653739924 /nfs/dbraw/zinc/73/99/24/653739924.db2.gz MERCRELWHKFRMB-HZPDHXFCSA-N 2 1 382.302 2.231 20 0 GEADMP O=C(CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(Br)cc1 ZINC000818986356 653739926 /nfs/dbraw/zinc/73/99/26/653739926.db2.gz MERCRELWHKFRMB-HZPDHXFCSA-N 2 1 382.302 2.231 20 0 GEADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000818997425 653740318 /nfs/dbraw/zinc/74/03/18/653740318.db2.gz AMQNMVDTMVHRDI-DLBZAZTESA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000818997425 653740320 /nfs/dbraw/zinc/74/03/20/653740320.db2.gz AMQNMVDTMVHRDI-DLBZAZTESA-N 2 1 398.345 2.015 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1(C)C ZINC000819286435 653747975 /nfs/dbraw/zinc/74/79/75/653747975.db2.gz HXOPVXAQUFJCBP-INIZCTEOSA-N 2 1 388.325 2.237 20 0 GEADMP C[C@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000843061684 653778268 /nfs/dbraw/zinc/77/82/68/653778268.db2.gz HFGSOBRVRZPHIR-PBHICJAKSA-N 2 1 389.309 2.232 20 0 GEADMP C[C@@](O)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1Cl ZINC000843063230 653778506 /nfs/dbraw/zinc/77/85/06/653778506.db2.gz XSWNIWBAZJAAAO-XJKSGUPXSA-N 2 1 391.737 2.356 20 0 GEADMP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711165 653813834 /nfs/dbraw/zinc/81/38/34/653813834.db2.gz DFQKZUUTYKRPFO-CAPXZKIUSA-N 2 1 380.286 2.377 20 0 GEADMP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711165 653813839 /nfs/dbraw/zinc/81/38/39/653813839.db2.gz DFQKZUUTYKRPFO-CAPXZKIUSA-N 2 1 380.286 2.377 20 0 GEADMP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712753 653814139 /nfs/dbraw/zinc/81/41/39/653814139.db2.gz WMIOZIYSFQWDIM-OAGGEKHMSA-N 2 1 380.286 2.124 20 0 GEADMP Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712753 653814144 /nfs/dbraw/zinc/81/41/44/653814144.db2.gz WMIOZIYSFQWDIM-OAGGEKHMSA-N 2 1 380.286 2.124 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000849102829 654004260 /nfs/dbraw/zinc/00/42/60/654004260.db2.gz BDHXICKEODROSH-DOTOQJQBSA-N 2 1 397.361 2.198 20 0 GEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000849102832 654004360 /nfs/dbraw/zinc/00/43/60/654004360.db2.gz BDHXICKEODROSH-WBVHZDCISA-N 2 1 397.361 2.198 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](CO)Cc1ccccc1Br ZINC000849104424 654004346 /nfs/dbraw/zinc/00/43/46/654004346.db2.gz POHLEGSJKVRWOL-GOEBONIOSA-N 2 1 397.361 2.198 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719451 654281043 /nfs/dbraw/zinc/28/10/43/654281043.db2.gz ZVNJZVCPLXYFST-QAPCUYQASA-N 2 1 396.329 2.396 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719451 654281046 /nfs/dbraw/zinc/28/10/46/654281046.db2.gz ZVNJZVCPLXYFST-QAPCUYQASA-N 2 1 396.329 2.396 20 0 GEADMP O[C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]1c1ccc(Br)cc1 ZINC000903777038 654283436 /nfs/dbraw/zinc/28/34/36/654283436.db2.gz ZGUZBNRVDRCTHO-TVFCKZIOSA-N 2 1 381.314 2.325 20 0 GEADMP O[C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]1c1ccc(Br)cc1 ZINC000903777038 654283441 /nfs/dbraw/zinc/28/34/41/654283441.db2.gz ZGUZBNRVDRCTHO-TVFCKZIOSA-N 2 1 381.314 2.325 20 0 GEADMP COc1cc(Br)c(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1O ZINC000904392637 654308851 /nfs/dbraw/zinc/30/88/51/654308851.db2.gz WEPIDHGAHWJADU-ZDUSSCGKSA-N 2 1 385.302 2.493 20 0 GEADMP Cc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Br)c1 ZINC000872254589 654319887 /nfs/dbraw/zinc/31/98/87/654319887.db2.gz AIWJQLRKLXCMNX-IMJJTQAJSA-N 2 1 380.286 2.124 20 0 GEADMP Cc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Br)c1 ZINC000872254589 654319892 /nfs/dbraw/zinc/31/98/92/654319892.db2.gz AIWJQLRKLXCMNX-IMJJTQAJSA-N 2 1 380.286 2.124 20 0 GEADMP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000905332194 654350810 /nfs/dbraw/zinc/35/08/10/654350810.db2.gz WCCWIYJHCGRQCV-GOSISDBHSA-N 2 1 385.961 2.396 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000855346245 654414192 /nfs/dbraw/zinc/41/41/92/654414192.db2.gz SWVZGMIZBCZFIA-LRDDRELGSA-N 2 1 376.328 2.415 20 0 GEADMP O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923416128 654451622 /nfs/dbraw/zinc/45/16/22/654451622.db2.gz ZPIFZYFUNKZXFD-YLQAJVPDSA-N 2 1 387.293 2.402 20 0 GEADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465196 654454664 /nfs/dbraw/zinc/45/46/64/654454664.db2.gz WVZHGTGTLKJZSO-LLVKDONJSA-N 2 1 378.826 2.181 20 0 GEADMP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487264 654455959 /nfs/dbraw/zinc/45/59/59/654455959.db2.gz YEIOGFIPBYHYEX-NEPJUHHUSA-N 2 1 387.265 2.289 20 0 GEADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1(Br)CC1 ZINC000924678729 654522304 /nfs/dbraw/zinc/52/23/04/654522304.db2.gz GTCDGNLJYBCGKB-CQSZACIVSA-N 2 1 380.330 2.480 20 0 GEADMP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925152805 654535533 /nfs/dbraw/zinc/53/55/33/654535533.db2.gz JGKOGDULBBZNFW-IRXDYDNUSA-N 2 1 382.599 2.401 20 0 GEADMP C[NH+](C)CCCN(Cc1cccs1)C(=S)NCCC[NH+]1CCOCC1 ZINC000916116739 654889011 /nfs/dbraw/zinc/88/90/11/654889011.db2.gz GCTNHDOKMUYMRT-UHFFFAOYSA-N 2 1 384.615 2.099 20 0 GEADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[NH2+]C[C@@H]2C(=O)OC)n1 ZINC001164629700 719136247 /nfs/dbraw/zinc/13/62/47/719136247.db2.gz CEXWMIOWDGYLAW-CQSZACIVSA-N 2 1 391.541 2.101 20 0 GEADMP COC(=O)c1ccc2nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)ncc2c1 ZINC001164686157 719607702 /nfs/dbraw/zinc/60/77/02/719607702.db2.gz YQIAUIFSEHGUNT-UHFFFAOYSA-N 2 1 394.479 2.088 20 0 GEADMP COC(=O)c1ccc2nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)ncc2c1 ZINC001164686157 719607712 /nfs/dbraw/zinc/60/77/12/719607712.db2.gz YQIAUIFSEHGUNT-UHFFFAOYSA-N 2 1 394.479 2.088 20 0 GEADMP CCc1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164733973 720409639 /nfs/dbraw/zinc/40/96/39/720409639.db2.gz RCRYMGNMYZMDRG-WOJBJXKFSA-N 2 1 394.523 2.124 20 0 GEADMP CCc1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164733973 720409645 /nfs/dbraw/zinc/40/96/45/720409645.db2.gz RCRYMGNMYZMDRG-WOJBJXKFSA-N 2 1 394.523 2.124 20 0 GEADMP C[C@@H]1CCCN1C(=O)c1nn(-c2ccc(C[N@@H+](C)C3CC3)cn2)c2c1C[NH2+]CC2 ZINC001164848006 720806427 /nfs/dbraw/zinc/80/64/27/720806427.db2.gz BLFPVTQZYVKZQL-OAHLLOKOSA-N 2 1 394.523 2.132 20 0 GEADMP Cc1nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164762585 721081531 /nfs/dbraw/zinc/08/15/31/721081531.db2.gz FESBFXASQDADRT-MOPGFXCFSA-N 2 1 381.528 2.077 20 0 GEADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@@H+]3C2)c1 ZINC001164909272 721546951 /nfs/dbraw/zinc/54/69/51/721546951.db2.gz RCVZSPZWZPBMLD-QUCCMNQESA-N 2 1 398.482 2.399 20 0 GEADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@H+]3C2)c1 ZINC001164909272 721546957 /nfs/dbraw/zinc/54/69/57/721546957.db2.gz RCVZSPZWZPBMLD-QUCCMNQESA-N 2 1 398.482 2.399 20 0 GEADMP c1cc(C[N@H+]2CCOCC3(CCN(c4ccc5c(n4)CC[NH2+]C5)CC3)C2)ccn1 ZINC001164959529 722053417 /nfs/dbraw/zinc/05/34/17/722053417.db2.gz MJXJKZLZJVXTEM-UHFFFAOYSA-N 2 1 393.535 2.241 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000179315901 532228364 /nfs/dbraw/zinc/22/83/64/532228364.db2.gz DRFRRNDXOLCOGQ-OAHLLOKOSA-N 2 1 384.293 2.329 20 0 GEADMP O=C(NCC[N@@H+]1CCc2sccc2C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000557564435 532368428 /nfs/dbraw/zinc/36/84/28/532368428.db2.gz SDPCIRZRETVIMU-KRWDZBQOSA-N 2 1 379.595 2.440 20 0 GEADMP O=C(NCC[N@H+]1CCc2sccc2C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000557564435 532368436 /nfs/dbraw/zinc/36/84/36/532368436.db2.gz SDPCIRZRETVIMU-KRWDZBQOSA-N 2 1 379.595 2.440 20 0 GEADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)COc1ccc(Cl)cc1Cl ZINC000516970525 532400754 /nfs/dbraw/zinc/40/07/54/532400754.db2.gz RPWHTTJZKBDBCU-HUUCEWRRSA-N 2 1 377.312 2.170 20 0 GEADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000559895417 532408598 /nfs/dbraw/zinc/40/85/98/532408598.db2.gz QPIWUXWULSYZRU-HNNXBMFYSA-N 2 1 398.345 2.234 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc[nH]c(=O)c1Br ZINC000468904319 532480753 /nfs/dbraw/zinc/48/07/53/532480753.db2.gz JTQWWSUQGZCLBE-CYBMUJFWSA-N 2 1 399.333 2.038 20 0 GEADMP Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1Br ZINC000470017056 532517469 /nfs/dbraw/zinc/51/74/69/532517469.db2.gz IXTRUOYVDXVIGH-MRXNPFEDSA-N 2 1 380.330 2.401 20 0 GEADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261735312 532578150 /nfs/dbraw/zinc/57/81/50/532578150.db2.gz LHRPAIIHTZSSPW-WMZOPIPTSA-N 2 1 398.345 2.096 20 0 GEADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000646496840 532724981 /nfs/dbraw/zinc/72/49/81/532724981.db2.gz HWWADWRFVZHKPN-DLBZAZTESA-N 2 1 386.323 2.451 20 0 GEADMP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442792008 532735082 /nfs/dbraw/zinc/73/50/82/532735082.db2.gz PHNDQXOFAQRJRG-IJLUTSLNSA-N 2 1 387.265 2.287 20 0 GEADMP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442792008 532735088 /nfs/dbraw/zinc/73/50/88/532735088.db2.gz PHNDQXOFAQRJRG-IJLUTSLNSA-N 2 1 387.265 2.287 20 0 GEADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)c2cccc(Br)c2)CC1 ZINC000411510044 532765234 /nfs/dbraw/zinc/76/52/34/532765234.db2.gz WAOLSYLGALERDS-KRWDZBQOSA-N 2 1 398.345 2.061 20 0 GEADMP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc(I)c1OC ZINC000414946396 532835988 /nfs/dbraw/zinc/83/59/88/532835988.db2.gz TXRGEEFSTHIWLI-MFKMUULPSA-N 2 1 390.265 2.396 20 0 GEADMP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc(I)c1OC ZINC000414946393 532836099 /nfs/dbraw/zinc/83/60/99/532836099.db2.gz TXRGEEFSTHIWLI-GWCFXTLKSA-N 2 1 390.265 2.396 20 0 GEADMP COc1cc(Br)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1O ZINC000415053206 532837317 /nfs/dbraw/zinc/83/73/17/532837317.db2.gz MADOZYRUWTVBSK-UHFFFAOYSA-N 2 1 398.345 2.469 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000415097195 532838127 /nfs/dbraw/zinc/83/81/27/532838127.db2.gz SBZRVZNLEXYAGH-CZUORRHYSA-N 2 1 381.318 2.178 20 0 GEADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CSCCS1 ZINC000364226926 532905267 /nfs/dbraw/zinc/90/52/67/532905267.db2.gz SRXWADVQECSGGR-SFHVURJKSA-N 2 1 385.643 2.490 20 0 GEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367205143 532923571 /nfs/dbraw/zinc/92/35/71/532923571.db2.gz GSAPXVBRYMHYKU-AWEZNQCLSA-N 2 1 380.539 2.010 20 0 GEADMP CSc1nc2ncnc(N(C)[C@H]3CC[N@H+](C4CCN(C)CC4)C3)c2s1 ZINC000367501822 532925779 /nfs/dbraw/zinc/92/57/79/532925779.db2.gz BSPJTIRDADJZIG-ZDUSSCGKSA-N 2 1 378.571 2.413 20 0 GEADMP CSc1nc2ncnc(N(C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)c2s1 ZINC000367501822 532925781 /nfs/dbraw/zinc/92/57/81/532925781.db2.gz BSPJTIRDADJZIG-ZDUSSCGKSA-N 2 1 378.571 2.413 20 0 GEADMP C[C@@H]1CC[S@](=O)CC[NH+]1CCCCCC[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000369351506 532938910 /nfs/dbraw/zinc/93/89/10/532938910.db2.gz DIUOMGWYSHWPSB-LFVIRAHLSA-N 2 1 376.632 2.233 20 0 GEADMP CS[C@H]1CN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C[C@H]1[NH+](C)C ZINC000371446693 532948194 /nfs/dbraw/zinc/94/81/94/532948194.db2.gz GGMFSRSIFDTCDI-SJORKVTESA-N 2 1 382.599 2.168 20 0 GEADMP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](CC)CC ZINC000736313155 599358883 /nfs/dbraw/zinc/35/88/83/599358883.db2.gz LWPPRKGPXWNTPE-IBGZPJMESA-N 2 1 399.543 2.021 20 0 GEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821625046 606747994 /nfs/dbraw/zinc/74/79/94/606747994.db2.gz DQCYOUXJNQKXKV-IBGZPJMESA-N 2 1 397.527 2.392 20 0 GEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000825459753 608500115 /nfs/dbraw/zinc/50/01/15/608500115.db2.gz MSQIBNRYJKZOEO-FQEVSTJZSA-N 2 1 383.544 2.251 20 0 GEADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000825961953 608687696 /nfs/dbraw/zinc/68/76/96/608687696.db2.gz PQKBKRMDTQVDSR-IBGZPJMESA-N 2 1 396.495 2.337 20 0 GEADMP C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000825961953 608687699 /nfs/dbraw/zinc/68/76/99/608687699.db2.gz PQKBKRMDTQVDSR-IBGZPJMESA-N 2 1 396.495 2.337 20 0 GEADMP COCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000462029182 650464334 /nfs/dbraw/zinc/46/43/34/650464334.db2.gz HVOQLGHJMXOKFB-UHFFFAOYSA-N 2 1 384.318 2.478 20 0 GEADMP CCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000510976094 650522174 /nfs/dbraw/zinc/52/21/74/650522174.db2.gz DWZBXZYGIPPUOB-UHFFFAOYSA-N 2 1 377.913 2.221 20 0 GEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)Nc1ccc(Br)cc1 ZINC000104177204 643178527 /nfs/dbraw/zinc/17/85/27/643178527.db2.gz LKOGPQXIMBVIBJ-HNNXBMFYSA-N 2 1 396.333 2.166 20 0 GEADMP O[C@H](COc1ccc(Br)cc1)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151322268 643937400 /nfs/dbraw/zinc/93/74/00/643937400.db2.gz MGRFTHPBPKCGEC-KRWDZBQOSA-N 2 1 392.297 2.406 20 0 GEADMP C[C@@H](NC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000170912786 644296675 /nfs/dbraw/zinc/29/66/75/644296675.db2.gz FLWMALQDMNWUPK-GFCCVEGCSA-N 2 1 386.327 2.123 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)nc1Cl ZINC000185476736 645046686 /nfs/dbraw/zinc/04/66/86/645046686.db2.gz VRBWPSSCXFIFFP-HNNXBMFYSA-N 2 1 388.965 2.080 20 0 GEADMP CCOc1c(Br)cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000261827931 645603595 /nfs/dbraw/zinc/60/35/95/645603595.db2.gz AEQIIDVNDLPACJ-HNNXBMFYSA-N 2 1 398.345 2.336 20 0 GEADMP CCOc1c(Br)cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000261827931 645603602 /nfs/dbraw/zinc/60/36/02/645603602.db2.gz AEQIIDVNDLPACJ-HNNXBMFYSA-N 2 1 398.345 2.336 20 0 GEADMP O=c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc2ccc(Br)cn12 ZINC000324221113 647300186 /nfs/dbraw/zinc/30/01/86/647300186.db2.gz RTBJYLORPFWJMP-BBRMVZONSA-N 2 1 391.313 2.421 20 0 GEADMP O=c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc2ccc(Br)cn12 ZINC000324221113 647300190 /nfs/dbraw/zinc/30/01/90/647300190.db2.gz RTBJYLORPFWJMP-BBRMVZONSA-N 2 1 391.313 2.421 20 0 GEADMP Cc1cc(N2CCC([NH2+]Cc3ccc(S(C)(=O)=O)s3)CC2)nc(C)[nH+]1 ZINC000332109846 647412304 /nfs/dbraw/zinc/41/23/04/647412304.db2.gz GBBKDYPEWXXRMT-UHFFFAOYSA-N 2 1 380.539 2.317 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@@H]2CCC[C@H]21 ZINC000375803491 647834364 /nfs/dbraw/zinc/83/43/64/647834364.db2.gz CQUVMQAZJMPNIW-SOUVJXGZSA-N 2 1 383.480 2.010 20 0 GEADMP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCOc3ccccc3Br)C2)nn1 ZINC000420387779 648414938 /nfs/dbraw/zinc/41/49/38/648414938.db2.gz WKBCGCUJVWNTOD-AWEZNQCLSA-N 2 1 380.290 2.215 20 0 GEADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCOc3ccccc3Br)C2)nn1 ZINC000420387779 648414941 /nfs/dbraw/zinc/41/49/41/648414941.db2.gz WKBCGCUJVWNTOD-AWEZNQCLSA-N 2 1 380.290 2.215 20 0 GEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423531186 648594760 /nfs/dbraw/zinc/59/47/60/648594760.db2.gz ZPKBSSJAJXKHOA-MSOLQXFVSA-N 2 1 382.346 2.410 20 0 GEADMP COC(=O)c1ccc(C[NH2+]CCCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000556595061 651247344 /nfs/dbraw/zinc/24/73/44/651247344.db2.gz ONIFGKQVSNUJOD-UHFFFAOYSA-N 2 1 398.345 2.353 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)[C@@H]2CCC[C@H]21 ZINC000556881144 651255518 /nfs/dbraw/zinc/25/55/18/651255518.db2.gz FMLUKSWSNLDHNP-BHYGNILZSA-N 2 1 385.961 2.471 20 0 GEADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000603433361 651491267 /nfs/dbraw/zinc/49/12/67/651491267.db2.gz MNJDWLSGWXXSPB-XDTLVQLUSA-N 2 1 387.265 2.334 20 0 GEADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(O)c2Br)C1)[C@H]1CCC[NH2+]1 ZINC000563137678 651511275 /nfs/dbraw/zinc/51/12/75/651511275.db2.gz DWYPSFOAFGNWKR-DZGCQCFKSA-N 2 1 396.329 2.235 20 0 GEADMP CC1CC[NH+](C[C@@H](O)C[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000563144681 651512009 /nfs/dbraw/zinc/51/20/09/651512009.db2.gz XXZMXKGLSVOQQF-KRWDZBQOSA-N 2 1 398.345 2.460 20 0 GEADMP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000647835384 651762628 /nfs/dbraw/zinc/76/26/28/651762628.db2.gz WNTRSKYVOVXKRM-ZIAGYGMSSA-N 2 1 387.355 2.396 20 0 GEADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000647835384 651762631 /nfs/dbraw/zinc/76/26/31/651762631.db2.gz WNTRSKYVOVXKRM-ZIAGYGMSSA-N 2 1 387.355 2.396 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ncsc1Br ZINC000570712508 651786101 /nfs/dbraw/zinc/78/61/01/651786101.db2.gz QTNOBDLXDTVFTB-GFCCVEGCSA-N 2 1 389.363 2.394 20 0 GEADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000571283961 651823260 /nfs/dbraw/zinc/82/32/60/651823260.db2.gz JJMKDBOIEONCQA-CABCVRRESA-N 2 1 391.339 2.416 20 0 GEADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)COc1cc(F)cc(Br)c1 ZINC000573595354 651967433 /nfs/dbraw/zinc/96/74/33/651967433.db2.gz KEMNZGSWAUURAE-WBMJQRKESA-N 2 1 387.293 2.402 20 0 GEADMP O=C(NCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000655697659 652008388 /nfs/dbraw/zinc/00/83/88/652008388.db2.gz RZSXDRGHKJYDGO-KRWDZBQOSA-N 2 1 396.329 2.022 20 0 GEADMP OC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccc(Br)cc1 ZINC000655758791 652010645 /nfs/dbraw/zinc/01/06/45/652010645.db2.gz CZZYNBHSTXKKHY-LPHOPBHVSA-N 2 1 397.357 2.443 20 0 GEADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000577178085 652168312 /nfs/dbraw/zinc/16/83/12/652168312.db2.gz FQHPCXIJYUHCQY-HZPDHXFCSA-N 2 1 391.339 2.416 20 0 GEADMP O=C(NC[C@@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000577486459 652192485 /nfs/dbraw/zinc/19/24/85/652192485.db2.gz WIOBZUBAQKABFV-KRWDZBQOSA-N 2 1 395.345 2.465 20 0 GEADMP CCN(CC[NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000627000251 652410845 /nfs/dbraw/zinc/41/08/45/652410845.db2.gz LVJMAIFWXPGFMH-UHFFFAOYSA-N 2 1 383.334 2.404 20 0 GEADMP CS[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@@H](N(C)C)[C@@H](SC)C2)C[C@@H]1N(C)C ZINC000582318365 652445183 /nfs/dbraw/zinc/44/51/83/652445183.db2.gz PGHJNKQTPWBISV-SEXKYXSUSA-N 2 1 388.691 2.112 20 0 GEADMP CS[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](N(C)C)[C@@H](SC)C2)C[C@@H]1N(C)C ZINC000582318365 652445185 /nfs/dbraw/zinc/44/51/85/652445185.db2.gz PGHJNKQTPWBISV-SEXKYXSUSA-N 2 1 388.691 2.112 20 0 GEADMP CS[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](N(C)C)[C@@H](SC)C2)C[C@@H]1N(C)C ZINC000582318365 652445187 /nfs/dbraw/zinc/44/51/87/652445187.db2.gz PGHJNKQTPWBISV-SEXKYXSUSA-N 2 1 388.691 2.112 20 0 GEADMP CS[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](SC)[C@@H](N(C)C)C2)C[C@@H]1N(C)C ZINC000582318362 652445204 /nfs/dbraw/zinc/44/52/04/652445204.db2.gz PGHJNKQTPWBISV-CADBVGFASA-N 2 1 388.691 2.112 20 0 GEADMP CS[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](SC)[C@@H](N(C)C)C2)C[C@@H]1N(C)C ZINC000582318362 652445206 /nfs/dbraw/zinc/44/52/06/652445206.db2.gz PGHJNKQTPWBISV-CADBVGFASA-N 2 1 388.691 2.112 20 0 GEADMP CS[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](SC)[C@@H](N(C)C)C2)C[C@@H]1N(C)C ZINC000582318362 652445208 /nfs/dbraw/zinc/44/52/08/652445208.db2.gz PGHJNKQTPWBISV-CADBVGFASA-N 2 1 388.691 2.112 20 0 GEADMP [NH3+][C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccccc1Br ZINC000662467013 652463044 /nfs/dbraw/zinc/46/30/44/652463044.db2.gz LKAFQUBDGGPWBX-QGZVFWFLSA-N 2 1 396.329 2.020 20 0 GEADMP [NH3+][C@H](C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1Br ZINC000662574195 652468580 /nfs/dbraw/zinc/46/85/80/652468580.db2.gz JFLYRLZPNZGVRB-IXDOHACOSA-N 2 1 396.329 2.194 20 0 GEADMP C[NH2+][C@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Cl)c1Cl ZINC000662570315 652468592 /nfs/dbraw/zinc/46/85/92/652468592.db2.gz JWEWTKSSDXFZJC-LRDDRELGSA-N 2 1 386.323 2.468 20 0 GEADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000662796133 652474983 /nfs/dbraw/zinc/47/49/83/652474983.db2.gz IPRLOMHERLJBKV-IRXDYDNUSA-N 2 1 386.323 2.438 20 0 GEADMP [NH3+][C@@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000662832262 652475831 /nfs/dbraw/zinc/47/58/31/652475831.db2.gz GYIMLMPIPYFJHJ-RHSMWYFYSA-N 2 1 396.329 2.162 20 0 GEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Br)cn2)CC1 ZINC000589323404 652565655 /nfs/dbraw/zinc/56/56/55/652565655.db2.gz SAMVPVXEHZGVHK-UHFFFAOYSA-N 2 1 376.258 2.243 20 0 GEADMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Br)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764463857 652801556 /nfs/dbraw/zinc/80/15/56/652801556.db2.gz ACXPQRPGVUYXQE-MNEFBYGVSA-N 2 1 396.373 2.440 20 0 GEADMP O=S(=O)(NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000671766683 652812107 /nfs/dbraw/zinc/81/21/07/652812107.db2.gz SHHCHGRVDFTDOA-OLZOCXBDSA-N 2 1 392.352 2.488 20 0 GEADMP O=S(=O)(NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000671766683 652812109 /nfs/dbraw/zinc/81/21/09/652812109.db2.gz SHHCHGRVDFTDOA-OLZOCXBDSA-N 2 1 392.352 2.488 20 0 GEADMP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000638601287 652898791 /nfs/dbraw/zinc/89/87/91/652898791.db2.gz DAKRDRBYEUVRDH-INIZCTEOSA-N 2 1 396.329 2.162 20 0 GEADMP C[C@H](C[NH2+]Cc1nc(Cl)ccc1Br)CN1CC[NH+](C)CC1 ZINC000877017355 653460305 /nfs/dbraw/zinc/46/03/05/653460305.db2.gz SYVUQOGCQDFBIC-GFCCVEGCSA-N 2 1 375.742 2.471 20 0 GEADMP [NH3+]C[C@H]1CN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C[C@@H]1C(F)(F)F ZINC000877355073 653478007 /nfs/dbraw/zinc/47/80/07/653478007.db2.gz GGHHRIHSBYFXGB-XPUUQOCRSA-N 2 1 398.248 2.323 20 0 GEADMP [NH3+]C[C@@H]1CN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C[C@@H]1C(F)(F)F ZINC000877355072 653478079 /nfs/dbraw/zinc/47/80/79/653478079.db2.gz GGHHRIHSBYFXGB-SVRRBLITSA-N 2 1 398.248 2.323 20 0 GEADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@H]1C(F)(F)F ZINC000877357885 653478618 /nfs/dbraw/zinc/47/86/18/653478618.db2.gz VECSODUBCBZILZ-UISBYWKRSA-N 2 1 380.208 2.045 20 0 GEADMP COC(=O)c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000877499334 653539285 /nfs/dbraw/zinc/53/92/85/653539285.db2.gz OBBAGFPMZXRULV-UHFFFAOYSA-N 2 1 398.345 2.351 20 0 GEADMP C[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000878557346 653640739 /nfs/dbraw/zinc/64/07/39/653640739.db2.gz SSROMHQTQDQXBH-HNNXBMFYSA-N 2 1 382.302 2.073 20 0 GEADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2sccc2Br)CC1 ZINC000863550314 653715446 /nfs/dbraw/zinc/71/54/46/653715446.db2.gz UGMBYBDSMDFFBV-OLZOCXBDSA-N 2 1 386.315 2.268 20 0 GEADMP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ncc1F ZINC000817972107 653723069 /nfs/dbraw/zinc/72/30/69/653723069.db2.gz JRYLIGWLZMTGBE-CABZTGNLSA-N 2 1 399.230 2.470 20 0 GEADMP O=C(CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cccc(Br)c1 ZINC000818986586 653739914 /nfs/dbraw/zinc/73/99/14/653739914.db2.gz QDJIJTUBQLWJIR-HZPDHXFCSA-N 2 1 382.302 2.231 20 0 GEADMP O=C(CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1cccc(Br)c1 ZINC000818986586 653739917 /nfs/dbraw/zinc/73/99/17/653739917.db2.gz QDJIJTUBQLWJIR-HZPDHXFCSA-N 2 1 382.302 2.231 20 0 GEADMP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711168 653813876 /nfs/dbraw/zinc/81/38/76/653813876.db2.gz DFQKZUUTYKRPFO-SRMUXQRQSA-N 2 1 380.286 2.377 20 0 GEADMP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711168 653813881 /nfs/dbraw/zinc/81/38/81/653813881.db2.gz DFQKZUUTYKRPFO-SRMUXQRQSA-N 2 1 380.286 2.377 20 0 GEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2nc(F)ccc2Br)CC1 ZINC000847381613 653926542 /nfs/dbraw/zinc/92/65/42/653926542.db2.gz QFSONASDGOUXRO-UHFFFAOYSA-N 2 1 394.248 2.382 20 0 GEADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(F)(F)Br)CC2)CC1 ZINC000848070590 653958407 /nfs/dbraw/zinc/95/84/07/653958407.db2.gz FHWUZFSTVNOAGM-UHFFFAOYSA-N 2 1 382.293 2.287 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](CO)Cc1ccccc1Br ZINC000849104422 654004213 /nfs/dbraw/zinc/00/42/13/654004213.db2.gz POHLEGSJKVRWOL-GDBMZVCRSA-N 2 1 397.361 2.198 20 0 GEADMP CCn1c(Br)ncc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000900338544 654059466 /nfs/dbraw/zinc/05/94/66/654059466.db2.gz ARPIYWLGDSRTRX-UHFFFAOYSA-N 2 1 393.289 2.065 20 0 GEADMP O=C(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(Br)cn1 ZINC000903199844 654226058 /nfs/dbraw/zinc/22/60/58/654226058.db2.gz NMDXJZVIOHQGMF-VHRNVKJDSA-N 2 1 393.329 2.321 20 0 GEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(I)cc2)C[C@H]1CC[NH3+] ZINC000903494545 654241506 /nfs/dbraw/zinc/24/15/06/654241506.db2.gz JHXHOVWIMZUORV-VXGBXAGGSA-N 2 1 387.265 2.146 20 0 GEADMP O=S(=O)(Cc1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562370 654256587 /nfs/dbraw/zinc/25/65/87/654256587.db2.gz KGISJHJLEKYNMV-HDICACEKSA-N 2 1 383.945 2.070 20 0 GEADMP O=S(=O)(Cc1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562370 654256589 /nfs/dbraw/zinc/25/65/89/654256589.db2.gz KGISJHJLEKYNMV-HDICACEKSA-N 2 1 383.945 2.070 20 0 GEADMP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1sc2c(c1Br)C[NH2+]C2 ZINC000852875941 654264822 /nfs/dbraw/zinc/26/48/22/654264822.db2.gz UEOSOMXBIYUAPA-UHFFFAOYSA-N 2 1 396.314 2.487 20 0 GEADMP C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C1(C[NH3+])CCOCC1 ZINC000903807639 654284064 /nfs/dbraw/zinc/28/40/64/654284064.db2.gz MXPYFCXVSADAIF-UHFFFAOYSA-N 2 1 388.281 2.357 20 0 GEADMP C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)C1(C[NH3+])CCOCC1 ZINC000903807639 654284069 /nfs/dbraw/zinc/28/40/69/654284069.db2.gz MXPYFCXVSADAIF-UHFFFAOYSA-N 2 1 388.281 2.357 20 0 GEADMP COC[C@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000903937226 654292499 /nfs/dbraw/zinc/29/24/99/654292499.db2.gz FJVDAQHWAFUGHD-RDJZCZTQSA-N 2 1 394.317 2.442 20 0 GEADMP CC[N@@H+](CCNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)CCC(F)(F)F ZINC000891857210 654315354 /nfs/dbraw/zinc/31/53/54/654315354.db2.gz RWHNKHHDBMCJOW-GHMZBOCLSA-N 2 1 378.361 2.039 20 0 GEADMP Cc1cc(Br)c(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872257527 654320345 /nfs/dbraw/zinc/32/03/45/654320345.db2.gz SHAROLTXBRUBHB-UHTWSYAYSA-N 2 1 386.315 2.186 20 0 GEADMP Cc1cc(Br)c(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872257527 654320346 /nfs/dbraw/zinc/32/03/46/654320346.db2.gz SHAROLTXBRUBHB-UHTWSYAYSA-N 2 1 386.315 2.186 20 0 GEADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(S(C)(=O)=O)s3)C2)[C@H]1C(C)C ZINC000922396168 654389891 /nfs/dbraw/zinc/38/98/91/654389891.db2.gz VQTYTQMIRXQLNB-JOCBIADPSA-N 2 1 386.583 2.111 20 0 GEADMP O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923367372 654446956 /nfs/dbraw/zinc/44/69/56/654446956.db2.gz UJWPHEOGKOEUMO-WBVHZDCISA-N 2 1 387.293 2.403 20 0 GEADMP O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923367372 654446959 /nfs/dbraw/zinc/44/69/59/654446959.db2.gz UJWPHEOGKOEUMO-WBVHZDCISA-N 2 1 387.293 2.403 20 0 GEADMP C[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923412197 654451213 /nfs/dbraw/zinc/45/12/13/654451213.db2.gz PYODGVFCSAJYFS-GOEBONIOSA-N 2 1 375.296 2.043 20 0 GEADMP C[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000923497942 654457177 /nfs/dbraw/zinc/45/71/77/654457177.db2.gz NLQSJYSVCQXMHV-OLZOCXBDSA-N 2 1 375.332 2.140 20 0 GEADMP C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000923497942 654457182 /nfs/dbraw/zinc/45/71/82/654457182.db2.gz NLQSJYSVCQXMHV-OLZOCXBDSA-N 2 1 375.332 2.140 20 0 GEADMP C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC000923502227 654457353 /nfs/dbraw/zinc/45/73/53/654457353.db2.gz AKHUWIGTCRQONQ-STQMWFEESA-N 2 1 375.332 2.140 20 0 GEADMP C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC000923502227 654457357 /nfs/dbraw/zinc/45/73/57/654457357.db2.gz AKHUWIGTCRQONQ-STQMWFEESA-N 2 1 375.332 2.140 20 0 GEADMP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925152803 654535442 /nfs/dbraw/zinc/53/54/42/654535442.db2.gz JGKOGDULBBZNFW-IAGOWNOFSA-N 2 1 382.599 2.401 20 0 GEADMP CCOC(=O)C1CC[NH+](C2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)CC1 ZINC001164614133 719022037 /nfs/dbraw/zinc/02/20/37/719022037.db2.gz NTHYABVCSYYERH-UHFFFAOYSA-N 2 1 375.517 2.095 20 0 GEADMP C[NH+]1CCN(c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)CC1 ZINC001164620368 719057403 /nfs/dbraw/zinc/05/74/03/719057403.db2.gz GJYDIKHTUGTKJX-NHCUHLMSSA-N 2 1 392.551 2.329 20 0 GEADMP C[NH+]1CCN(c2nccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164628618 719105118 /nfs/dbraw/zinc/10/51/18/719105118.db2.gz NUSYDBKKRBXDRX-LEWJYISDSA-N 2 1 392.551 2.329 20 0 GEADMP C[NH+]1CCN(c2nccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164628618 719105119 /nfs/dbraw/zinc/10/51/19/719105119.db2.gz NUSYDBKKRBXDRX-LEWJYISDSA-N 2 1 392.551 2.329 20 0 GEADMP COC(=O)c1ccc2c(c1)ncnc2-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683610 719607903 /nfs/dbraw/zinc/60/79/03/719607903.db2.gz KBSCXWZXVDBEIP-UHFFFAOYSA-N 2 1 394.479 2.088 20 0 GEADMP COC(=O)c1ccc2c(c1)ncnc2-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683610 719607913 /nfs/dbraw/zinc/60/79/13/719607913.db2.gz KBSCXWZXVDBEIP-UHFFFAOYSA-N 2 1 394.479 2.088 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3cc4c(cc32)OCCO4)c2c1CC[NH2+]C2 ZINC001164686140 719609776 /nfs/dbraw/zinc/60/97/76/719609776.db2.gz YJRUVOCYGXAGLQ-UHFFFAOYSA-N 2 1 394.479 2.073 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3cc4c(cc32)OCCO4)c2c1CC[NH2+]C2 ZINC001164686140 719609779 /nfs/dbraw/zinc/60/97/79/719609779.db2.gz YJRUVOCYGXAGLQ-UHFFFAOYSA-N 2 1 394.479 2.073 20 0 GEADMP CCOC(=O)c1cc2ccnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2[nH]1 ZINC001164686040 719617599 /nfs/dbraw/zinc/61/75/99/719617599.db2.gz XPXCFAWFFZOYQF-UHFFFAOYSA-N 2 1 396.495 2.411 20 0 GEADMP CCOC(=O)c1cc2ccnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2[nH]1 ZINC001164686040 719617603 /nfs/dbraw/zinc/61/76/03/719617603.db2.gz XPXCFAWFFZOYQF-UHFFFAOYSA-N 2 1 396.495 2.411 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2cc(N3CCC[C@@H](C)C3)ncn2)c2c1CC[NH2+]C2 ZINC001164680624 719646190 /nfs/dbraw/zinc/64/61/90/719646190.db2.gz ZAKFPTUGQVLGBW-MRXNPFEDSA-N 2 1 383.544 2.385 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(N3CCC[C@@H](C)C3)ncn2)c2c1CC[NH2+]C2 ZINC001164680624 719646201 /nfs/dbraw/zinc/64/62/01/719646201.db2.gz ZAKFPTUGQVLGBW-MRXNPFEDSA-N 2 1 383.544 2.385 20 0 GEADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001164813771 720148581 /nfs/dbraw/zinc/14/85/81/720148581.db2.gz FAWPTLLSRLSZCS-DENIHFKCSA-N 2 1 386.540 2.103 20 0 GEADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164840530 720688845 /nfs/dbraw/zinc/68/88/45/720688845.db2.gz FWYDBAXWSSKJFX-LJQANCHMSA-N 2 1 379.508 2.340 20 0 GEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(C[NH+](C)C5CC5)cn4)C[C@@H]3C2)cn1 ZINC001164762518 721213425 /nfs/dbraw/zinc/21/34/25/721213425.db2.gz CPGNXZBHZDACSE-UXHICEINSA-N 2 1 380.540 2.368 20 0 GEADMP Cn1cc(C[NH+]2CC[C@@H]3CN(c4ccc(C[N@H+](C)C5CC5)cn4)C[C@@H]3C2)cn1 ZINC001164762518 721213432 /nfs/dbraw/zinc/21/34/32/721213432.db2.gz CPGNXZBHZDACSE-UXHICEINSA-N 2 1 380.540 2.368 20 0 GEADMP Cn1cc(C[NH+]2CC[C@@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)C[C@@H]3C2)cn1 ZINC001164762518 721213450 /nfs/dbraw/zinc/21/34/50/721213450.db2.gz CPGNXZBHZDACSE-UXHICEINSA-N 2 1 380.540 2.368 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4c(nn3)CC[NH2+]C4)C[C@@H]21 ZINC001165029532 721818025 /nfs/dbraw/zinc/81/80/25/721818025.db2.gz ZOSVHQAPSCNJQU-NBHGPNQESA-N 2 1 378.524 2.254 20 0 GEADMP C[NH+](C)CCOCc1ncn2c1CN(c1ccc(C[N@@H+](C)C3CC3)cn1)CCC2 ZINC001165003860 722257128 /nfs/dbraw/zinc/25/71/28/722257128.db2.gz KBDIPGBYAGZLMV-UHFFFAOYSA-N 2 1 398.555 2.361 20 0 GEADMP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)CC1 ZINC000187123452 532343292 /nfs/dbraw/zinc/34/32/92/532343292.db2.gz OBMNAMBWONHGFR-HNNXBMFYSA-N 2 1 387.977 2.249 20 0 GEADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000373615074 532460898 /nfs/dbraw/zinc/46/08/98/532460898.db2.gz GABWQXKETKILPI-APWZRJJASA-N 2 1 396.373 2.376 20 0 GEADMP C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000563014334 532494461 /nfs/dbraw/zinc/49/44/61/532494461.db2.gz UBDLQWMBLFFLFL-CYBMUJFWSA-N 2 1 387.343 2.463 20 0 GEADMP C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1=CC[N@@H+](C)CC1 ZINC000563014334 532494467 /nfs/dbraw/zinc/49/44/67/532494467.db2.gz UBDLQWMBLFFLFL-CYBMUJFWSA-N 2 1 387.343 2.463 20 0 GEADMP C[NH2+]CCOCC[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000629528901 532495841 /nfs/dbraw/zinc/49/58/41/532495841.db2.gz MPTLBENYLKIJCV-LBPRGKRZSA-N 2 1 382.306 2.225 20 0 GEADMP Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000470009550 532518011 /nfs/dbraw/zinc/51/80/11/532518011.db2.gz PSKNYBPKKWLQFA-MRXNPFEDSA-N 2 1 380.330 2.401 20 0 GEADMP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000565046066 532544636 /nfs/dbraw/zinc/54/46/36/532544636.db2.gz ATEBJXRHBZXXKE-KGLIPLIRSA-N 2 1 381.318 2.494 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncccc1I ZINC000596360087 532592489 /nfs/dbraw/zinc/59/24/89/532592489.db2.gz HATMNHGEXBUNDT-LBPRGKRZSA-N 2 1 376.286 2.370 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncccc1I ZINC000596360087 532592492 /nfs/dbraw/zinc/59/24/92/532592492.db2.gz HATMNHGEXBUNDT-LBPRGKRZSA-N 2 1 376.286 2.370 20 0 GEADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000261753531 532578182 /nfs/dbraw/zinc/57/81/82/532578182.db2.gz VALBEMRIJZZCHE-AWEZNQCLSA-N 2 1 391.313 2.284 20 0 GEADMP C[C@@]1(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CC[NH2+]C1 ZINC000261742078 532578513 /nfs/dbraw/zinc/57/85/13/532578513.db2.gz IOLCHRFKPXCDTK-SUMWQHHRSA-N 2 1 381.318 2.494 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284750522 532616626 /nfs/dbraw/zinc/61/66/26/532616626.db2.gz LKXZGIXEPGJBBF-QGZVFWFLSA-N 2 1 381.318 2.049 20 0 GEADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cccc(I)c1 ZINC000314929537 532781554 /nfs/dbraw/zinc/78/15/54/532781554.db2.gz NLONYCLCXQNMLU-BETUJISGSA-N 2 1 399.276 2.161 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000414750052 532834564 /nfs/dbraw/zinc/83/45/64/532834564.db2.gz QKHQQVZPNNOHLV-YOEHRIQHSA-N 2 1 396.329 2.020 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000414750052 532834567 /nfs/dbraw/zinc/83/45/67/532834567.db2.gz QKHQQVZPNNOHLV-YOEHRIQHSA-N 2 1 396.329 2.020 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3c(Cl)cccc3Cl)CC2)C1 ZINC000414760431 532834672 /nfs/dbraw/zinc/83/46/72/532834672.db2.gz YSEJZWYHGJEFKH-AWEZNQCLSA-N 2 1 385.339 2.313 20 0 GEADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000414744066 532834913 /nfs/dbraw/zinc/83/49/13/532834913.db2.gz JGKAQXFREZJKGF-LSKLOWJMSA-N 2 1 386.323 2.081 20 0 GEADMP C[C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000414726849 532834917 /nfs/dbraw/zinc/83/49/17/532834917.db2.gz AOBVGCNSFPJBQA-STQMWFEESA-N 2 1 377.963 2.096 20 0 GEADMP Cn1c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)nc2cc(Cl)ccc21 ZINC000414991638 532836625 /nfs/dbraw/zinc/83/66/25/532836625.db2.gz SPFKKLQJZGFMAH-CQSZACIVSA-N 2 1 375.826 2.152 20 0 GEADMP Brc1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc2c1OCO2 ZINC000415057133 532837356 /nfs/dbraw/zinc/83/73/56/532837356.db2.gz RAEOMIHBYNYWKB-UHFFFAOYSA-N 2 1 396.329 2.484 20 0 GEADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3c(F)cccc3Br)C2)CC1 ZINC000365908707 532913101 /nfs/dbraw/zinc/91/31/01/532913101.db2.gz PZJWSAARBWISFQ-GFCCVEGCSA-N 2 1 384.293 2.487 20 0 GEADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3c(F)cccc3Br)C2)CC1 ZINC000365908707 532913102 /nfs/dbraw/zinc/91/31/02/532913102.db2.gz PZJWSAARBWISFQ-GFCCVEGCSA-N 2 1 384.293 2.487 20 0 GEADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)nc(C)[nH+]1 ZINC000737271127 598347386 /nfs/dbraw/zinc/34/73/86/598347386.db2.gz JCSFQKXEBATPGP-MRXNPFEDSA-N 2 1 382.447 2.171 20 0 GEADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000736199924 599337920 /nfs/dbraw/zinc/33/79/20/599337920.db2.gz ZLGBXFCSBGCBPT-FGTMMUONSA-N 2 1 383.544 2.418 20 0 GEADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822356652 606854754 /nfs/dbraw/zinc/85/47/54/606854754.db2.gz XNFYGYKLMJQYGX-NRFANRHFSA-N 2 1 392.507 2.463 20 0 GEADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000822373833 606859774 /nfs/dbraw/zinc/85/97/74/606859774.db2.gz DJVYONYHYGMUDW-CRAIPNDOSA-N 2 1 379.468 2.038 20 0 GEADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000822373833 606859775 /nfs/dbraw/zinc/85/97/75/606859775.db2.gz DJVYONYHYGMUDW-CRAIPNDOSA-N 2 1 379.468 2.038 20 0 GEADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000826263812 608016293 /nfs/dbraw/zinc/01/62/93/608016293.db2.gz RPNZNZKIKHUDEA-INIZCTEOSA-N 2 1 393.495 2.119 20 0 GEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000826331057 608453931 /nfs/dbraw/zinc/45/39/31/608453931.db2.gz RTAPEVVIYAFECM-UHFFFAOYSA-N 2 1 377.399 2.495 20 0 GEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000826331057 608453932 /nfs/dbraw/zinc/45/39/32/608453932.db2.gz RTAPEVVIYAFECM-UHFFFAOYSA-N 2 1 377.399 2.495 20 0 GEADMP c1ccc(-c2nn[nH]n2)c(COc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)c1 ZINC000826515848 608859564 /nfs/dbraw/zinc/85/95/64/608859564.db2.gz NJNRSZSSHVSQLX-HDICACEKSA-N 2 1 376.464 2.097 20 0 GEADMP c1ccc(-c2nn[nH]n2)c(COc2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)c1 ZINC000826515848 608859565 /nfs/dbraw/zinc/85/95/65/608859565.db2.gz NJNRSZSSHVSQLX-HDICACEKSA-N 2 1 376.464 2.097 20 0 GEADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826508959 609381736 /nfs/dbraw/zinc/38/17/36/609381736.db2.gz HQUNFPZPOUJPPA-LJQANCHMSA-N 2 1 396.470 2.252 20 0 GEADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826508959 609381738 /nfs/dbraw/zinc/38/17/38/609381738.db2.gz HQUNFPZPOUJPPA-LJQANCHMSA-N 2 1 396.470 2.252 20 0 GEADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451147493 650090332 /nfs/dbraw/zinc/09/03/32/650090332.db2.gz RKKKSYRRDZNFJO-HZPDHXFCSA-N 2 1 381.533 2.100 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451147493 650090333 /nfs/dbraw/zinc/09/03/33/650090333.db2.gz RKKKSYRRDZNFJO-HZPDHXFCSA-N 2 1 381.533 2.100 20 0 GEADMP O[C@]1(C(F)(F)F)CC[NH+](CCCCC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000177283684 644412866 /nfs/dbraw/zinc/41/28/66/644412866.db2.gz MLCUUIFPFSAPGD-BETUJISGSA-N 2 1 378.357 2.155 20 0 GEADMP O[C@]1(C(F)(F)F)CC[N@@H+](CCCCC[NH+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000177283684 644412870 /nfs/dbraw/zinc/41/28/70/644412870.db2.gz MLCUUIFPFSAPGD-BETUJISGSA-N 2 1 378.357 2.155 20 0 GEADMP O[C@]1(C(F)(F)F)CC[N@H+](CCCCC[NH+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000177283684 644412872 /nfs/dbraw/zinc/41/28/72/644412872.db2.gz MLCUUIFPFSAPGD-BETUJISGSA-N 2 1 378.357 2.155 20 0 GEADMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc(Br)c1OC(F)F ZINC000546565320 651002239 /nfs/dbraw/zinc/00/22/39/651002239.db2.gz PRDZUDYYJAPVIP-HNNXBMFYSA-N 2 1 395.244 2.215 20 0 GEADMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc(Br)c1OC(F)F ZINC000546565320 651002242 /nfs/dbraw/zinc/00/22/42/651002242.db2.gz PRDZUDYYJAPVIP-HNNXBMFYSA-N 2 1 395.244 2.215 20 0 GEADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000261772345 645598902 /nfs/dbraw/zinc/59/89/02/645598902.db2.gz WZCQOJFUPCJLNP-GFCCVEGCSA-N 2 1 387.311 2.109 20 0 GEADMP Clc1ccc(OCC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000262443438 645630144 /nfs/dbraw/zinc/63/01/44/645630144.db2.gz HARAJRPPORFJQL-CQSZACIVSA-N 2 1 388.737 2.461 20 0 GEADMP Clc1ccc(OCC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000262443438 645630149 /nfs/dbraw/zinc/63/01/49/645630149.db2.gz HARAJRPPORFJQL-CQSZACIVSA-N 2 1 388.737 2.461 20 0 GEADMP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[C@H]1[NH3+] ZINC000332339031 647435026 /nfs/dbraw/zinc/43/50/26/647435026.db2.gz SHOUIKJGEQLKFT-SUMWQHHRSA-N 2 1 395.345 2.402 20 0 GEADMP C[C@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]1CC[NH3+] ZINC000404267417 647907096 /nfs/dbraw/zinc/90/70/96/647907096.db2.gz IJJVSCCDALOTCC-SWLSCSKDSA-N 2 1 379.302 2.406 20 0 GEADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)N1CC[NH2+]CC1 ZINC000417881110 648264075 /nfs/dbraw/zinc/26/40/75/648264075.db2.gz DOFITQIDFGQSQO-UHFFFAOYSA-N 2 1 381.318 2.028 20 0 GEADMP C[C@H](C[NH3+])CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417882977 648264682 /nfs/dbraw/zinc/26/46/82/648264682.db2.gz GWDMRUDNNSYFAB-CYBMUJFWSA-N 2 1 383.334 2.308 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Br)cc3c2OCC3)CC1(C)C ZINC000441372674 648826419 /nfs/dbraw/zinc/82/64/19/648826419.db2.gz PRFXKKUKDDIYQI-UHFFFAOYSA-N 2 1 382.346 2.500 20 0 GEADMP O=C(NC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000561190850 651476705 /nfs/dbraw/zinc/47/67/05/651476705.db2.gz FNCCSQLKJSPHIG-UHFFFAOYSA-N 2 1 395.345 2.465 20 0 GEADMP CN(CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)S(=O)(=O)c1cccs1 ZINC000643475108 651488569 /nfs/dbraw/zinc/48/85/69/651488569.db2.gz CELYYNUEFXUWFD-DLBZAZTESA-N 2 1 379.551 2.452 20 0 GEADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1c(Cl)cccc1Cl ZINC000647517811 651749616 /nfs/dbraw/zinc/74/96/16/651749616.db2.gz GQVYIDCQAGGUDB-UONOGXRCSA-N 2 1 377.312 2.170 20 0 GEADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000571283962 651823284 /nfs/dbraw/zinc/82/32/84/651823284.db2.gz JJMKDBOIEONCQA-GJZGRUSLSA-N 2 1 391.339 2.416 20 0 GEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Br)cn2)C1 ZINC000652362472 651916868 /nfs/dbraw/zinc/91/68/68/651916868.db2.gz IAMYPTWSVMCWRB-RBSFLKMASA-N 2 1 397.317 2.143 20 0 GEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Br)cn2)C1 ZINC000652362472 651916871 /nfs/dbraw/zinc/91/68/71/651916871.db2.gz IAMYPTWSVMCWRB-RBSFLKMASA-N 2 1 397.317 2.143 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1cscc1Br ZINC000617507758 651955925 /nfs/dbraw/zinc/95/59/25/651955925.db2.gz INPUVNNQZDCIEU-LBPRGKRZSA-N 2 1 376.364 2.441 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1cscc1Br ZINC000617507758 651955929 /nfs/dbraw/zinc/95/59/29/651955929.db2.gz INPUVNNQZDCIEU-LBPRGKRZSA-N 2 1 376.364 2.441 20 0 GEADMP [NH3+]CCCOC1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662427947 652460603 /nfs/dbraw/zinc/46/06/03/652460603.db2.gz FQHCGFQTOCZQPL-UHFFFAOYSA-N 2 1 388.331 2.084 20 0 GEADMP C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000628968857 652476892 /nfs/dbraw/zinc/47/68/92/652476892.db2.gz SZYZYSGPPLFTJD-GUYCJALGSA-N 2 1 387.355 2.348 20 0 GEADMP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1cccc(Br)c1 ZINC000663364554 652495538 /nfs/dbraw/zinc/49/55/38/652495538.db2.gz RTCAOAAIYPTDDH-IRXDYDNUSA-N 2 1 399.329 2.032 20 0 GEADMP [NH3+][C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)c2ccccc21 ZINC000665236340 652549377 /nfs/dbraw/zinc/54/93/77/652549377.db2.gz KRFDCJXYBCVMLE-ZBFHGGJFSA-N 2 1 375.270 2.308 20 0 GEADMP Cc1c(Br)cncc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000667561687 652613215 /nfs/dbraw/zinc/61/32/15/652613215.db2.gz CVEJCFHSZXNXTO-UHFFFAOYSA-N 2 1 383.334 2.042 20 0 GEADMP C[NH+](C)CCNC(=S)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000761828033 652658682 /nfs/dbraw/zinc/65/86/82/652658682.db2.gz DECZMMBNAXVKHV-UHFFFAOYSA-N 2 1 399.402 2.439 20 0 GEADMP CN1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1c1ccc(Br)cc1 ZINC000639049075 652917537 /nfs/dbraw/zinc/91/75/37/652917537.db2.gz HKPROKZDYHYGBH-SQNIBIBYSA-N 2 1 382.346 2.241 20 0 GEADMP CN1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1c1ccc(Br)cc1 ZINC000639049075 652917540 /nfs/dbraw/zinc/91/75/40/652917540.db2.gz HKPROKZDYHYGBH-SQNIBIBYSA-N 2 1 382.346 2.241 20 0 GEADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639174831 652925751 /nfs/dbraw/zinc/92/57/51/652925751.db2.gz HHEXFRQCGMTPTA-UHFFFAOYSA-N 2 1 392.363 2.260 20 0 GEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639174831 652925757 /nfs/dbraw/zinc/92/57/57/652925757.db2.gz HHEXFRQCGMTPTA-UHFFFAOYSA-N 2 1 392.363 2.260 20 0 GEADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ncc(Br)cc3Cl)nn2)CC1 ZINC000641205961 653169741 /nfs/dbraw/zinc/16/97/41/653169741.db2.gz IVTUUEFCFRISRZ-UHFFFAOYSA-N 2 1 399.724 2.103 20 0 GEADMP C[Si](C)(CC[NH+]1CC[C@@](O)(C(F)F)C1)CC[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000859323534 653441773 /nfs/dbraw/zinc/44/17/73/653441773.db2.gz GJNCGBJPKHKHDK-HOTGVXAUSA-N 2 1 386.506 2.099 20 0 GEADMP NS(=O)(=O)c1cccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000876988614 653458528 /nfs/dbraw/zinc/45/85/28/653458528.db2.gz JGFAHFCSPVWTJV-MRXNPFEDSA-N 2 1 379.551 2.397 20 0 GEADMP NS(=O)(=O)c1cccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000876988614 653458532 /nfs/dbraw/zinc/45/85/32/653458532.db2.gz JGFAHFCSPVWTJV-MRXNPFEDSA-N 2 1 379.551 2.397 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(Br)cs1 ZINC000779763579 653609532 /nfs/dbraw/zinc/60/95/32/653609532.db2.gz KKHVXFVGSCQCEN-GFCCVEGCSA-N 2 1 389.363 2.394 20 0 GEADMP O[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cc(Br)no1 ZINC000878154930 653630316 /nfs/dbraw/zinc/63/03/16/653630316.db2.gz IBYMZDRWZDMWLL-CQSZACIVSA-N 2 1 388.306 2.047 20 0 GEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(Br)no2)[C@@H](C)C1 ZINC000878448980 653637871 /nfs/dbraw/zinc/63/78/71/653637871.db2.gz XPJSCNJPNYFZIO-MELADBBJSA-N 2 1 390.322 2.197 20 0 GEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(Br)no2)[C@@H](C)C1 ZINC000878448980 653637873 /nfs/dbraw/zinc/63/78/73/653637873.db2.gz XPJSCNJPNYFZIO-MELADBBJSA-N 2 1 390.322 2.197 20 0 GEADMP O=C(CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cccc(Br)c1 ZINC000818986587 653740153 /nfs/dbraw/zinc/74/01/53/653740153.db2.gz QDJIJTUBQLWJIR-JKSUJKDBSA-N 2 1 382.302 2.231 20 0 GEADMP O=C(CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cccc(Br)c1 ZINC000818986587 653740154 /nfs/dbraw/zinc/74/01/54/653740154.db2.gz QDJIJTUBQLWJIR-JKSUJKDBSA-N 2 1 382.302 2.231 20 0 GEADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819060944 653742079 /nfs/dbraw/zinc/74/20/79/653742079.db2.gz JEFCZJXQNADZKZ-GOSISDBHSA-N 2 1 384.362 2.490 20 0 GEADMP O=[S@]1C[C@@H]2C[C@H]1C[NH+]2CCCCCCCCC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844435929 653806247 /nfs/dbraw/zinc/80/62/47/653806247.db2.gz ZZNFJWJOZBPAHM-APBQFUJFSA-N 2 1 386.627 2.128 20 0 GEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000849064004 654003493 /nfs/dbraw/zinc/00/34/93/654003493.db2.gz SPNMTGRPYSQWMD-STQMWFEESA-N 2 1 389.327 2.331 20 0 GEADMP C[C@]12CC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@H]1C2(Br)Br ZINC000852754408 654259097 /nfs/dbraw/zinc/25/90/97/654259097.db2.gz GGXWNHLBPUWFOO-UTUOFQBUSA-N 2 1 394.151 2.335 20 0 GEADMP [NH3+][C@@H](C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000852858170 654263849 /nfs/dbraw/zinc/26/38/49/654263849.db2.gz SGJBPQYOTDRADW-RHSMWYFYSA-N 2 1 396.329 2.209 20 0 GEADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2)CC1 ZINC000921696233 654306295 /nfs/dbraw/zinc/30/62/95/654306295.db2.gz JLENWWMMLQHCTE-UHFFFAOYSA-N 2 1 379.302 2.419 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCc3cc(F)c(Br)cc3C2)C1 ZINC000904433919 654310101 /nfs/dbraw/zinc/31/01/01/654310101.db2.gz QTPUJWWJFCWQOE-GFCCVEGCSA-N 2 1 384.293 2.144 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCc3cc(F)c(Br)cc3C2)C1 ZINC000904433919 654310107 /nfs/dbraw/zinc/31/01/07/654310107.db2.gz QTPUJWWJFCWQOE-GFCCVEGCSA-N 2 1 384.293 2.144 20 0 GEADMP O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923354668 654445814 /nfs/dbraw/zinc/44/58/14/654445814.db2.gz CWESAIJBCTXDSN-RDJZCZTQSA-N 2 1 387.293 2.403 20 0 GEADMP O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923354668 654445817 /nfs/dbraw/zinc/44/58/17/654445817.db2.gz CWESAIJBCTXDSN-RDJZCZTQSA-N 2 1 387.293 2.403 20 0 GEADMP C[N@@H+]1CC[C@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000923634247 654472880 /nfs/dbraw/zinc/47/28/80/654472880.db2.gz LGKASNSLPLMNLR-CPUCHLNUSA-N 2 1 389.924 2.143 20 0 GEADMP C[N@H+]1CC[C@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000923634247 654472887 /nfs/dbraw/zinc/47/28/87/654472887.db2.gz LGKASNSLPLMNLR-CPUCHLNUSA-N 2 1 389.924 2.143 20 0 GEADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3ncc(Br)cc32)C1 ZINC000924966760 654530011 /nfs/dbraw/zinc/53/00/11/654530011.db2.gz UYAABCPMOHYCOK-BBRMVZONSA-N 2 1 395.345 2.399 20 0 GEADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3ncc(Br)cc32)C1 ZINC000924966760 654530017 /nfs/dbraw/zinc/53/00/17/654530017.db2.gz UYAABCPMOHYCOK-BBRMVZONSA-N 2 1 395.345 2.399 20 0 GEADMP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000925566365 654546012 /nfs/dbraw/zinc/54/60/12/654546012.db2.gz HGJHBDPFSVZQAQ-BLLLJJGKSA-N 2 1 384.318 2.308 20 0 GEADMP COc1ccc(C[C@H](CO)C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1Br ZINC000925687677 654547605 /nfs/dbraw/zinc/54/76/05/654547605.db2.gz LXIUOWXMJBHMEB-HSGSIZQLSA-N 2 1 395.341 2.195 20 0 GEADMP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ncc(Br)cc1F ZINC000925849090 654551342 /nfs/dbraw/zinc/55/13/42/654551342.db2.gz HNRHBAOBXWKPOB-CMPLNLGQSA-N 2 1 386.265 2.319 20 0 GEADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484159 654743659 /nfs/dbraw/zinc/74/36/59/654743659.db2.gz OHXKLNRXWLHULW-CYBMUJFWSA-N 2 1 384.318 2.165 20 0 GEADMP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)ccc1Br ZINC000931484738 654743684 /nfs/dbraw/zinc/74/36/84/654743684.db2.gz QMNSOKKODAELOW-AWEZNQCLSA-N 2 1 398.345 2.473 20 0 GEADMP CC(C)n1cc(Br)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000912305401 654749640 /nfs/dbraw/zinc/74/96/40/654749640.db2.gz YKICLFCKKIFRSM-ZDUSSCGKSA-N 2 1 388.354 2.228 20 0 GEADMP CC(C)n1cc(Br)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000912305401 654749642 /nfs/dbraw/zinc/74/96/42/654749642.db2.gz YKICLFCKKIFRSM-ZDUSSCGKSA-N 2 1 388.354 2.228 20 0 GEADMP C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000932210319 654770390 /nfs/dbraw/zinc/77/03/90/654770390.db2.gz ZWRVIVNFAYLLLJ-OAHLLOKOSA-N 2 1 382.302 2.073 20 0 GEADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC000301674374 719441546 /nfs/dbraw/zinc/44/15/46/719441546.db2.gz RPISOJQSQUQREL-HOTGVXAUSA-N 2 1 387.553 2.423 20 0 GEADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC000301674374 719441552 /nfs/dbraw/zinc/44/15/52/719441552.db2.gz RPISOJQSQUQREL-HOTGVXAUSA-N 2 1 387.553 2.423 20 0 GEADMP COC(=O)c1ccc2cnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2c1 ZINC001164681822 719607490 /nfs/dbraw/zinc/60/74/90/719607490.db2.gz AQLCLEINTBZWJW-UHFFFAOYSA-N 2 1 394.479 2.088 20 0 GEADMP COC(=O)c1ccc2cnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2c1 ZINC001164681822 719607498 /nfs/dbraw/zinc/60/74/98/719607498.db2.gz AQLCLEINTBZWJW-UHFFFAOYSA-N 2 1 394.479 2.088 20 0 GEADMP COC(=O)/C=C\c1cc(C)cnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684610 719633697 /nfs/dbraw/zinc/63/36/97/719633697.db2.gz VJAIRLBVQFQXCR-SREVYHEPSA-N 2 1 383.496 2.248 20 0 GEADMP COC(=O)/C=C\c1cc(C)cnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684610 719633716 /nfs/dbraw/zinc/63/37/16/719633716.db2.gz VJAIRLBVQFQXCR-SREVYHEPSA-N 2 1 383.496 2.248 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164726429 720421096 /nfs/dbraw/zinc/42/10/96/720421096.db2.gz CBRJHYIPKQCSGN-WOJBJXKFSA-N 2 1 378.524 2.257 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)[nH+]2)CC1 ZINC001164726429 720421112 /nfs/dbraw/zinc/42/11/12/720421112.db2.gz CBRJHYIPKQCSGN-WOJBJXKFSA-N 3 1 378.524 2.257 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)[nH+]2)CC1 ZINC001164726429 720421128 /nfs/dbraw/zinc/42/11/28/720421128.db2.gz CBRJHYIPKQCSGN-WOJBJXKFSA-N 3 1 378.524 2.257 20 0 GEADMP CN(C)c1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164738382 720827327 /nfs/dbraw/zinc/82/73/27/720827327.db2.gz FEIMAPBGKDTFSX-DFQSSKMNSA-N 2 1 381.528 2.119 20 0 GEADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@@H+]3C2)c1 ZINC001164909270 721546714 /nfs/dbraw/zinc/54/67/14/721546714.db2.gz RCVZSPZWZPBMLD-ICSRJNTNSA-N 2 1 398.482 2.399 20 0 GEADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@H+]3C2)c1 ZINC001164909270 721546719 /nfs/dbraw/zinc/54/67/19/721546719.db2.gz RCVZSPZWZPBMLD-ICSRJNTNSA-N 2 1 398.482 2.399 20 0 GEADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc3c(nn1)CC[NH2+]C3)C2 ZINC001164911694 721758000 /nfs/dbraw/zinc/75/80/00/721758000.db2.gz XEHBODSZCLPZSC-UHFFFAOYSA-N 2 1 390.491 2.305 20 0 GEADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc3c(nn1)CC[NH2+]C3)C2 ZINC001164911694 721758010 /nfs/dbraw/zinc/75/80/10/721758010.db2.gz XEHBODSZCLPZSC-UHFFFAOYSA-N 2 1 390.491 2.305 20 0 GEADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C3C[NH2+]C3)ncn1)C2 ZINC001164910569 721766763 /nfs/dbraw/zinc/76/67/63/721766763.db2.gz IMBUONVOHFYVKG-UHFFFAOYSA-N 2 1 390.491 2.346 20 0 GEADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C3C[NH2+]C3)ncn1)C2 ZINC001164910569 721766768 /nfs/dbraw/zinc/76/67/68/721766768.db2.gz IMBUONVOHFYVKG-UHFFFAOYSA-N 2 1 390.491 2.346 20 0 GEADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc(N4CC[NH2+]CC4)nn2)C3)c1 ZINC001164994580 722195234 /nfs/dbraw/zinc/19/52/34/722195234.db2.gz ODERXKWZTAWFAH-QFIPXVFZSA-N 2 1 396.514 2.270 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000178670310 532209411 /nfs/dbraw/zinc/20/94/11/532209411.db2.gz DDELQDOQVLANNT-INIZCTEOSA-N 2 1 396.329 2.417 20 0 GEADMP COc1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(Br)c1 ZINC000181686454 532305413 /nfs/dbraw/zinc/30/54/13/532305413.db2.gz CRZJXAGMHFNRQC-CYBMUJFWSA-N 2 1 384.318 2.272 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187366878 532344185 /nfs/dbraw/zinc/34/41/85/532344185.db2.gz MEXIYIVXCQGARU-KRWDZBQOSA-N 2 1 388.325 2.191 20 0 GEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000372060844 532369972 /nfs/dbraw/zinc/36/99/72/532369972.db2.gz MNMIUAADJOYBNY-AWEZNQCLSA-N 2 1 382.555 2.332 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000560538283 532419721 /nfs/dbraw/zinc/41/97/21/532419721.db2.gz VWBXDYGONHHVPE-BPUTZDHNSA-N 2 1 389.924 2.220 20 0 GEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000562381250 532463453 /nfs/dbraw/zinc/46/34/53/532463453.db2.gz AOZAPBHSRSSITN-NEPJUHHUSA-N 2 1 390.347 2.089 20 0 GEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000562381250 532463458 /nfs/dbraw/zinc/46/34/58/532463458.db2.gz AOZAPBHSRSSITN-NEPJUHHUSA-N 2 1 390.347 2.089 20 0 GEADMP COc1cc(C[N@@H+](C)CCOCC[NH3+])cc(Br)c1OC(F)F ZINC000629663875 532499625 /nfs/dbraw/zinc/49/96/25/532499625.db2.gz MLRCKUWJUHZBDT-UHFFFAOYSA-N 2 1 383.233 2.466 20 0 GEADMP Brc1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc2c1OCCCO2 ZINC000262158611 532587263 /nfs/dbraw/zinc/58/72/63/532587263.db2.gz SGXDSZNYZRTYDX-OAHLLOKOSA-N 2 1 396.329 2.090 20 0 GEADMP Brc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc2c1OCCCO2 ZINC000262158611 532587273 /nfs/dbraw/zinc/58/72/73/532587273.db2.gz SGXDSZNYZRTYDX-OAHLLOKOSA-N 2 1 396.329 2.090 20 0 GEADMP O=C(CC[NH2+]C[C@@H](O)C[NH+]1CCCCC1)Nc1cccc(Br)c1 ZINC000567872908 532668702 /nfs/dbraw/zinc/66/87/02/532668702.db2.gz JZWWBEWMAMBJOW-MRXNPFEDSA-N 2 1 384.318 2.214 20 0 GEADMP [NH3+][C@H](C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1Br ZINC000638785586 532687846 /nfs/dbraw/zinc/68/78/46/532687846.db2.gz DHDSVPQUTBVVON-YOEHRIQHSA-N 2 1 396.329 2.066 20 0 GEADMP Oc1ccc(Br)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414993282 532836538 /nfs/dbraw/zinc/83/65/38/532836538.db2.gz UIQFGTGRKTZSDO-CYBMUJFWSA-N 2 1 382.224 2.080 20 0 GEADMP Cn1c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)nc2ccc(Cl)cc21 ZINC000414996117 532836970 /nfs/dbraw/zinc/83/69/70/532836970.db2.gz XBMKOZXRYQBCMW-CQSZACIVSA-N 2 1 375.826 2.152 20 0 GEADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000359998969 209212695 /nfs/dbraw/zinc/21/26/95/209212695.db2.gz MSPAPNUPVRBBKR-UHFFFAOYSA-N 2 1 388.430 2.243 20 0 GEADMP CCOC(=O)N1CCC[NH+](CCCC[N@@H+]2CCCN(C(=O)OCC)CC2)CC1 ZINC000359866191 209197277 /nfs/dbraw/zinc/19/72/77/209197277.db2.gz FUSHOUZJGXEAIK-UHFFFAOYSA-N 2 1 398.548 2.095 20 0 GEADMP C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415738438 532854961 /nfs/dbraw/zinc/85/49/61/532854961.db2.gz FIXIXALPZUZKAZ-GFCCVEGCSA-N 2 1 399.333 2.083 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Br)c2c(c1)OCCO2 ZINC000289536118 532857726 /nfs/dbraw/zinc/85/77/26/532857726.db2.gz WKPXXKCXNUYKBB-UHFFFAOYSA-N 2 1 398.345 2.290 20 0 GEADMP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1nc2ccccn2c1Br ZINC000290423059 532880523 /nfs/dbraw/zinc/88/05/23/532880523.db2.gz RDIBEWLVAIKQQP-CQSZACIVSA-N 2 1 381.318 2.423 20 0 GEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1nc2ccccn2c1Br ZINC000290423059 532880525 /nfs/dbraw/zinc/88/05/25/532880525.db2.gz RDIBEWLVAIKQQP-CQSZACIVSA-N 2 1 381.318 2.423 20 0 GEADMP Cc1nn(C)c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1Br ZINC000368448936 532932567 /nfs/dbraw/zinc/93/25/67/532932567.db2.gz GMOUCQSZZGPFMG-UHFFFAOYSA-N 2 1 384.366 2.139 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000735550242 598809370 /nfs/dbraw/zinc/80/93/70/598809370.db2.gz GVDQYMMWNOGXPY-LBPRGKRZSA-N 2 1 391.907 2.121 20 0 GEADMP c1cn(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738405409 599579776 /nfs/dbraw/zinc/57/97/76/599579776.db2.gz OJLFQRCUCPARRI-UHFFFAOYSA-N 2 1 392.511 2.496 20 0 GEADMP c1ccc(NC[C@@H]2CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)nc1 ZINC000823788275 606901819 /nfs/dbraw/zinc/90/18/19/606901819.db2.gz WWQIPIMLIVYVND-INIZCTEOSA-N 2 1 379.468 2.465 20 0 GEADMP Cc1nn(-c2ccccc2)c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1-c1nn[nH]n1 ZINC000826332065 608314889 /nfs/dbraw/zinc/31/48/89/608314889.db2.gz IREWVPAOFMKTJU-MRXNPFEDSA-N 2 1 380.500 2.134 20 0 GEADMP CC1CC[NH+](CCC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824956142 609335670 /nfs/dbraw/zinc/33/56/70/609335670.db2.gz QKRRNBQRARPREL-UHFFFAOYSA-N 2 1 394.527 2.479 20 0 GEADMP Ic1ccc([C@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000518376491 650603970 /nfs/dbraw/zinc/60/39/70/650603970.db2.gz VAYJVRAJQJZDKZ-MRXNPFEDSA-N 2 1 385.293 2.333 20 0 GEADMP Ic1ccc([C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000518376491 650603972 /nfs/dbraw/zinc/60/39/72/650603972.db2.gz VAYJVRAJQJZDKZ-MRXNPFEDSA-N 2 1 385.293 2.333 20 0 GEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000518413125 650604893 /nfs/dbraw/zinc/60/48/93/650604893.db2.gz VGLSKRSDAOMKIH-YPMHNXCESA-N 2 1 380.341 2.202 20 0 GEADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000103500539 643169384 /nfs/dbraw/zinc/16/93/84/643169384.db2.gz RHBAOAXOOHTGJF-MRXNPFEDSA-N 2 1 394.313 2.355 20 0 GEADMP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261819143 645602936 /nfs/dbraw/zinc/60/29/36/645602936.db2.gz IEXRUFIGZOZSIB-KBPBESRZSA-N 2 1 381.318 2.494 20 0 GEADMP O=C(NCC[NH+]1CCSCC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000264857689 645724280 /nfs/dbraw/zinc/72/42/80/645724280.db2.gz MWADOBZFBFRJQM-MRXNPFEDSA-N 2 1 382.599 2.308 20 0 GEADMP O=C(NCC[NH+]1CCSCC1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264857689 645724287 /nfs/dbraw/zinc/72/42/87/645724287.db2.gz MWADOBZFBFRJQM-MRXNPFEDSA-N 2 1 382.599 2.308 20 0 GEADMP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[C@@H]1[NH3+] ZINC000332339029 647435125 /nfs/dbraw/zinc/43/51/25/647435125.db2.gz SHOUIKJGEQLKFT-GUYCJALGSA-N 2 1 395.345 2.402 20 0 GEADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3CCS(=O)(=O)CC3)CC2)cs1 ZINC000364463427 647627370 /nfs/dbraw/zinc/62/73/70/647627370.db2.gz FHIQFCBQZRBUMJ-CQSZACIVSA-N 2 1 385.599 2.466 20 0 GEADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCOc3cc(F)cc(Br)c3)C2)nn1 ZINC000420369679 648414558 /nfs/dbraw/zinc/41/45/58/648414558.db2.gz BYLADISKTQXSLF-HNNXBMFYSA-N 2 1 398.280 2.354 20 0 GEADMP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422907237 648576798 /nfs/dbraw/zinc/57/67/98/648576798.db2.gz LEJJFTZWNVETHZ-MLGOLLRUSA-N 2 1 384.318 2.165 20 0 GEADMP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423511845 648593634 /nfs/dbraw/zinc/59/36/34/648593634.db2.gz KIPKJOLDOKCGEQ-BBRMVZONSA-N 2 1 387.309 2.106 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@@H]2CCC[C@H]21 ZINC000552266373 651145421 /nfs/dbraw/zinc/14/54/21/651145421.db2.gz JJBDCYLKOKXNML-CWRNSKLLSA-N 2 1 389.924 2.220 20 0 GEADMP Cc1cc(I)ccc1NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603435808 651492475 /nfs/dbraw/zinc/49/24/75/651492475.db2.gz ZNHFOJWGKXQVPY-OLZOCXBDSA-N 2 1 387.265 2.254 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000569825569 651727412 /nfs/dbraw/zinc/72/74/12/651727412.db2.gz LCLZHQGVJSWQBT-UHFFFAOYSA-N 2 1 380.286 2.449 20 0 GEADMP CC1CC[NH+](C[C@@H](O)C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000570082387 651745495 /nfs/dbraw/zinc/74/54/95/651745495.db2.gz ZIGRVWBMGXOUAE-KRWDZBQOSA-N 2 1 398.345 2.460 20 0 GEADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(Br)cn1 ZINC000649417965 651825745 /nfs/dbraw/zinc/82/57/45/651825745.db2.gz RLPPUJHHWVSFKQ-KBPBESRZSA-N 2 1 381.318 2.494 20 0 GEADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000571563194 651840529 /nfs/dbraw/zinc/84/05/29/651840529.db2.gz UMVSVTTYQFYBAE-KGLIPLIRSA-N 2 1 396.329 2.463 20 0 GEADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000571563194 651840535 /nfs/dbraw/zinc/84/05/35/651840535.db2.gz UMVSVTTYQFYBAE-KGLIPLIRSA-N 2 1 396.329 2.463 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nscc1Br ZINC000651221860 651876293 /nfs/dbraw/zinc/87/62/93/651876293.db2.gz DNSXCOSDTWFDMQ-LBPRGKRZSA-N 2 1 389.363 2.394 20 0 GEADMP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000573742168 651976854 /nfs/dbraw/zinc/97/68/54/651976854.db2.gz WIRZFYMSDYHFQJ-WMZOPIPTSA-N 2 1 385.346 2.253 20 0 GEADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000573742168 651976859 /nfs/dbraw/zinc/97/68/59/651976859.db2.gz WIRZFYMSDYHFQJ-WMZOPIPTSA-N 2 1 385.346 2.253 20 0 GEADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000573742168 651976863 /nfs/dbraw/zinc/97/68/63/651976863.db2.gz WIRZFYMSDYHFQJ-WMZOPIPTSA-N 2 1 385.346 2.253 20 0 GEADMP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000573742168 651976866 /nfs/dbraw/zinc/97/68/66/651976866.db2.gz WIRZFYMSDYHFQJ-WMZOPIPTSA-N 2 1 385.346 2.253 20 0 GEADMP OC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1cccc(Br)c1 ZINC000655759109 652010616 /nfs/dbraw/zinc/01/06/16/652010616.db2.gz IZBLGGIFNNGINJ-LPHOPBHVSA-N 2 1 397.357 2.443 20 0 GEADMP C[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CC1(C)C ZINC000623514259 652243938 /nfs/dbraw/zinc/24/39/38/652243938.db2.gz GCJFENRMCXGCCJ-ZDUSSCGKSA-N 2 1 377.913 2.220 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CC1(C)C ZINC000623514259 652243946 /nfs/dbraw/zinc/24/39/46/652243946.db2.gz GCJFENRMCXGCCJ-ZDUSSCGKSA-N 2 1 377.913 2.220 20 0 GEADMP Ic1ccccc1[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000582003967 652431247 /nfs/dbraw/zinc/43/12/47/652431247.db2.gz WKDBVYAKQOQLPX-MRXNPFEDSA-N 2 1 385.293 2.333 20 0 GEADMP C[NH2+][C@@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Cl)c1Cl ZINC000662570313 652468507 /nfs/dbraw/zinc/46/85/07/652468507.db2.gz JWEWTKSSDXFZJC-BLLLJJGKSA-N 2 1 386.323 2.468 20 0 GEADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662756060 652473520 /nfs/dbraw/zinc/47/35/20/652473520.db2.gz HGRWMPFSBHSOBB-SUMWQHHRSA-N 2 1 387.355 2.396 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634700978 652654586 /nfs/dbraw/zinc/65/45/86/652654586.db2.gz IHPZRINKYVFNAY-MRXNPFEDSA-N 2 1 377.312 2.434 20 0 GEADMP CC[NH+]1CCC([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000775424475 653313069 /nfs/dbraw/zinc/31/30/69/653313069.db2.gz SPESROOJKGWYBV-UHFFFAOYSA-N 2 1 380.432 2.433 20 0 GEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000879581771 653673576 /nfs/dbraw/zinc/67/35/76/653673576.db2.gz NUUOTYBMHDAFPF-VMGRFDJRSA-N 2 1 387.293 2.354 20 0 GEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000879581771 653673578 /nfs/dbraw/zinc/67/35/78/653673578.db2.gz NUUOTYBMHDAFPF-VMGRFDJRSA-N 2 1 387.293 2.354 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000879581771 653673582 /nfs/dbraw/zinc/67/35/82/653673582.db2.gz NUUOTYBMHDAFPF-VMGRFDJRSA-N 2 1 387.293 2.354 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000879581771 653673585 /nfs/dbraw/zinc/67/35/85/653673585.db2.gz NUUOTYBMHDAFPF-VMGRFDJRSA-N 2 1 387.293 2.354 20 0 GEADMP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ncc1F ZINC000817972112 653723104 /nfs/dbraw/zinc/72/31/04/653723104.db2.gz JRYLIGWLZMTGBE-SKDRFNHKSA-N 2 1 399.230 2.470 20 0 GEADMP O=C(CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(Br)cc1 ZINC000818986354 653739957 /nfs/dbraw/zinc/73/99/57/653739957.db2.gz MERCRELWHKFRMB-CVEARBPZSA-N 2 1 382.302 2.231 20 0 GEADMP O=C(CC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(Br)cc1 ZINC000818986354 653739958 /nfs/dbraw/zinc/73/99/58/653739958.db2.gz MERCRELWHKFRMB-CVEARBPZSA-N 2 1 382.302 2.231 20 0 GEADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000818997792 653740381 /nfs/dbraw/zinc/74/03/81/653740381.db2.gz LDHUXFQXQOAGCD-IAGOWNOFSA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000818997792 653740385 /nfs/dbraw/zinc/74/03/85/653740385.db2.gz LDHUXFQXQOAGCD-IAGOWNOFSA-N 2 1 398.345 2.015 20 0 GEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843099553 653779352 /nfs/dbraw/zinc/77/93/52/653779352.db2.gz ANKNWMBGNKGYKG-CJNGLKHVSA-N 2 1 377.298 2.304 20 0 GEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000843100663 653779535 /nfs/dbraw/zinc/77/95/35/653779535.db2.gz DWOBLDCEVQQKHG-WMLDXEAASA-N 2 1 391.325 2.478 20 0 GEADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)C2 ZINC000843111188 653779683 /nfs/dbraw/zinc/77/96/83/653779683.db2.gz DSBRMPGUOVEFQA-MAUKXSAKSA-N 2 1 394.313 2.127 20 0 GEADMP [NH3+][C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1cccc(Br)c1 ZINC000867961445 654011111 /nfs/dbraw/zinc/01/11/11/654011111.db2.gz WUIBANLOSVGXMR-KRWDZBQOSA-N 2 1 396.329 2.020 20 0 GEADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C[C@H](C)O1 ZINC000870860786 654200414 /nfs/dbraw/zinc/20/04/14/654200414.db2.gz QGOZCGQNOOKHQN-ZENOOKHLSA-N 2 1 384.318 2.064 20 0 GEADMP C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1CC[NH3+] ZINC000903497441 654241908 /nfs/dbraw/zinc/24/19/08/654241908.db2.gz XJNSTYGLZQRKCD-CHWSQXEVSA-N 2 1 375.332 2.140 20 0 GEADMP [NH3+][C@H](C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccccc1Br ZINC000852875585 654264857 /nfs/dbraw/zinc/26/48/57/654264857.db2.gz KJIMNVHLTNEKSU-HNNXBMFYSA-N 2 1 378.274 2.209 20 0 GEADMP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC000903871506 654288427 /nfs/dbraw/zinc/28/84/27/654288427.db2.gz QGCMNZGHIPASMT-WFDRTZIDSA-N 2 1 380.476 2.349 20 0 GEADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(OC)c(Br)c1)C2 ZINC000903979170 654293895 /nfs/dbraw/zinc/29/38/95/654293895.db2.gz XKWIDCVPSYJQQY-AHIWAGSCSA-N 2 1 383.286 2.170 20 0 GEADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000904337289 654307926 /nfs/dbraw/zinc/30/79/26/654307926.db2.gz TYNZAISLMSPQIV-TXEJJXNPSA-N 2 1 378.325 2.037 20 0 GEADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@H]3C[C@@]3(C)Br)cc2)CC1 ZINC000892582809 654352646 /nfs/dbraw/zinc/35/26/46/654352646.db2.gz MXCACPZZJCGUHW-SJLPKXTDSA-N 2 1 380.330 2.337 20 0 GEADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cc(Br)no3)CC2)CC1 ZINC000854705796 654375672 /nfs/dbraw/zinc/37/56/72/654375672.db2.gz PKDNHIJINMEMFB-UHFFFAOYSA-N 2 1 399.333 2.250 20 0 GEADMP Cn1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(I)n1 ZINC000893969804 654435094 /nfs/dbraw/zinc/43/50/94/654435094.db2.gz QJNYRMHTZFFGAK-UHFFFAOYSA-N 2 1 376.286 2.188 20 0 GEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923290512 654441823 /nfs/dbraw/zinc/44/18/23/654441823.db2.gz XXKAYQPSBDPIDP-ZOWXZIJZSA-N 2 1 375.282 2.387 20 0 GEADMP C[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000923334729 654445462 /nfs/dbraw/zinc/44/54/62/654445462.db2.gz JPEHXUVHDGOPMH-HUUCEWRRSA-N 2 1 375.282 2.402 20 0 GEADMP C[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000923334723 654445473 /nfs/dbraw/zinc/44/54/73/654445473.db2.gz JPEHXUVHDGOPMH-CABCVRRESA-N 2 1 375.282 2.402 20 0 GEADMP O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923354669 654446067 /nfs/dbraw/zinc/44/60/67/654446067.db2.gz CWESAIJBCTXDSN-WBVHZDCISA-N 2 1 387.293 2.403 20 0 GEADMP O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923354669 654446070 /nfs/dbraw/zinc/44/60/70/654446070.db2.gz CWESAIJBCTXDSN-WBVHZDCISA-N 2 1 387.293 2.403 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487265 654456021 /nfs/dbraw/zinc/45/60/21/654456021.db2.gz YEIOGFIPBYHYEX-NWDGAFQWSA-N 2 1 387.265 2.289 20 0 GEADMP CC(=O)Nc1cc(Br)ccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000894465299 654478078 /nfs/dbraw/zinc/47/80/78/654478078.db2.gz LAYDXAXKCKRMHS-UHFFFAOYSA-N 2 1 397.361 2.477 20 0 GEADMP O=C(Nc1cccc(Br)n1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000926089928 654558622 /nfs/dbraw/zinc/55/86/22/654558622.db2.gz BSRZBWHANOAGNH-OKILXGFUSA-N 2 1 394.317 2.277 20 0 GEADMP Clc1ccc(C[NH+]2CCCC2)c(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)n1 ZINC001164414970 718885127 /nfs/dbraw/zinc/88/51/27/718885127.db2.gz BWEOEVPQKIEQCQ-UHFFFAOYSA-N 2 1 387.919 2.021 20 0 GEADMP COC(=O)c1cc(Cl)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164685981 719604533 /nfs/dbraw/zinc/60/45/33/719604533.db2.gz XKKSSSMDCVPBLQ-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COC(=O)c1cc(Cl)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164685981 719604541 /nfs/dbraw/zinc/60/45/41/719604541.db2.gz XKKSSSMDCVPBLQ-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP CCOC(=O)/C=C/c1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164684702 719630668 /nfs/dbraw/zinc/63/06/68/719630668.db2.gz WSEJRFBOBNTZKZ-VQHVLOKHSA-N 2 1 383.496 2.330 20 0 GEADMP CCOC(=O)/C=C/c1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164684702 719630671 /nfs/dbraw/zinc/63/06/71/719630671.db2.gz WSEJRFBOBNTZKZ-VQHVLOKHSA-N 2 1 383.496 2.330 20 0 GEADMP CCOCc1cnc(Cl)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679434 719633875 /nfs/dbraw/zinc/63/38/75/719633875.db2.gz ALCNVOFJJYTBJH-UHFFFAOYSA-N 2 1 378.908 2.338 20 0 GEADMP CCOCc1cnc(Cl)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679434 719633883 /nfs/dbraw/zinc/63/38/83/719633883.db2.gz ALCNVOFJJYTBJH-UHFFFAOYSA-N 2 1 378.908 2.338 20 0 GEADMP CNC(=O)C[N@H+]1CCCC12CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)CC2 ZINC001164689659 719744187 /nfs/dbraw/zinc/74/41/87/719744187.db2.gz JYZDLTJFNFBVEM-UHFFFAOYSA-N 2 1 398.507 2.433 20 0 GEADMP CCOc1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164741244 720827159 /nfs/dbraw/zinc/82/71/59/720827159.db2.gz MROMAJDDQNRGGP-NLWGTHIKSA-N 2 1 382.512 2.451 20 0 GEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(N3CC[NH2+]CC3)cn1)[C@@H]2C ZINC001164859795 720985297 /nfs/dbraw/zinc/98/52/97/720985297.db2.gz MQBWICASBBPCLC-QGZVFWFLSA-N 2 1 383.544 2.109 20 0 GEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(C[NH+](C)C5CC5)cn4)C[C@H]3C2)cn1 ZINC001164762522 721214512 /nfs/dbraw/zinc/21/45/12/721214512.db2.gz CPGNXZBHZDACSE-VQTJNVASSA-N 2 1 380.540 2.368 20 0 GEADMP Cn1cc(C[NH+]2CC[C@H]3CN(c4ccc(C[N@H+](C)C5CC5)cn4)C[C@H]3C2)cn1 ZINC001164762522 721214522 /nfs/dbraw/zinc/21/45/22/721214522.db2.gz CPGNXZBHZDACSE-VQTJNVASSA-N 2 1 380.540 2.368 20 0 GEADMP Cn1cc(C[NH+]2CC[C@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)C[C@H]3C2)cn1 ZINC001164762522 721214535 /nfs/dbraw/zinc/21/45/35/721214535.db2.gz CPGNXZBHZDACSE-VQTJNVASSA-N 2 1 380.540 2.368 20 0 GEADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(C(C)(C)C)cn3)CC2)C1 ZINC001164876585 721292944 /nfs/dbraw/zinc/29/29/44/721292944.db2.gz IUMKILGJZHBOJP-UHFFFAOYSA-N 2 1 388.556 2.386 20 0 GEADMP Clc1cc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164785467 721423087 /nfs/dbraw/zinc/42/30/87/721423087.db2.gz MQLBIAGLCZDESI-BETUJISGSA-N 2 1 375.929 2.405 20 0 GEADMP Clc1cc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164785467 721423089 /nfs/dbraw/zinc/42/30/89/721423089.db2.gz MQLBIAGLCZDESI-BETUJISGSA-N 2 1 375.929 2.405 20 0 GEADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164909314 721545846 /nfs/dbraw/zinc/54/58/46/721545846.db2.gz RIOXMBCZFGUZGZ-ICSRJNTNSA-N 2 1 397.498 2.425 20 0 GEADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@@H+]3C2)c1 ZINC001164909274 721546619 /nfs/dbraw/zinc/54/66/19/721546619.db2.gz RCVZSPZWZPBMLD-UYAOXDASSA-N 2 1 398.482 2.399 20 0 GEADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@H+]3C2)c1 ZINC001164909274 721546621 /nfs/dbraw/zinc/54/66/21/721546621.db2.gz RCVZSPZWZPBMLD-UYAOXDASSA-N 2 1 398.482 2.399 20 0 GEADMP CC[NH+](CC)C1CCN(c2nc(N3CCC(C(=O)OC)CC3)cc[nH+]2)CC1 ZINC001165054014 722004406 /nfs/dbraw/zinc/00/44/06/722004406.db2.gz XHGLGEFVMYIXFL-UHFFFAOYSA-N 2 1 375.517 2.177 20 0 GEADMP O=C1COc2cc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2N1 ZINC001164952468 722018042 /nfs/dbraw/zinc/01/80/42/722018042.db2.gz LFYGHGCKKBKYLG-UHFFFAOYSA-N 2 1 379.464 2.300 20 0 GEADMP O=C1COc2cc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2N1 ZINC001164952468 722018045 /nfs/dbraw/zinc/01/80/45/722018045.db2.gz LFYGHGCKKBKYLG-UHFFFAOYSA-N 2 1 379.464 2.300 20 0 GEADMP CSc1ncc(Cl)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000516207978 532382389 /nfs/dbraw/zinc/38/23/89/532382389.db2.gz ORIZTHFELYKGAT-UHFFFAOYSA-N 2 1 378.889 2.251 20 0 GEADMP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000516847791 532392670 /nfs/dbraw/zinc/39/26/70/532392670.db2.gz KWNZLWJFJBVMPW-UONOGXRCSA-N 2 1 398.345 2.394 20 0 GEADMP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000516847791 532392675 /nfs/dbraw/zinc/39/26/75/532392675.db2.gz KWNZLWJFJBVMPW-UONOGXRCSA-N 2 1 398.345 2.394 20 0 GEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000466384871 532425714 /nfs/dbraw/zinc/42/57/14/532425714.db2.gz WOWQAKKRUCTVBE-UHFFFAOYSA-N 2 1 382.917 2.259 20 0 GEADMP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000295370931 532440810 /nfs/dbraw/zinc/44/08/10/532440810.db2.gz JTNLSDJPOUBYQF-CYBMUJFWSA-N 2 1 396.329 2.314 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1(C)C ZINC000282235743 532449278 /nfs/dbraw/zinc/44/92/78/532449278.db2.gz FULJNLYBZVCOTR-UHFFFAOYSA-N 2 1 384.318 2.293 20 0 GEADMP CC[N@@H+](C)C[C@H](O)CN(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000519177299 532458241 /nfs/dbraw/zinc/45/82/41/532458241.db2.gz ZXAGLWFVYQSYTE-AWEZNQCLSA-N 2 1 385.306 2.053 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ncc(Br)s1 ZINC000683405730 532458508 /nfs/dbraw/zinc/45/85/08/532458508.db2.gz QXOPTZKJKFIKPC-GFCCVEGCSA-N 2 1 389.363 2.394 20 0 GEADMP COCC[NH2+]C1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000519641235 532472479 /nfs/dbraw/zinc/47/24/79/532472479.db2.gz LSEKGXQZADOYDL-UHFFFAOYSA-N 2 1 384.318 2.478 20 0 GEADMP Cc1c([C@H](C)[NH2+]CCOCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000629538637 532494926 /nfs/dbraw/zinc/49/49/26/532494926.db2.gz MRPSETGGRNVCLN-LBPRGKRZSA-N 2 1 382.306 2.354 20 0 GEADMP O=C([C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000469996301 532517955 /nfs/dbraw/zinc/51/79/55/532517955.db2.gz LOCAWCMSZXYWRF-CQSZACIVSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000469996301 532517960 /nfs/dbraw/zinc/51/79/60/532517960.db2.gz LOCAWCMSZXYWRF-CQSZACIVSA-N 2 1 384.293 2.232 20 0 GEADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470010380 532518790 /nfs/dbraw/zinc/51/87/90/532518790.db2.gz WRAFYFRPDCZDRP-INIZCTEOSA-N 2 1 380.330 2.401 20 0 GEADMP O=C([C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1)N1CC[NH2+]CC1 ZINC000430599363 532501578 /nfs/dbraw/zinc/50/15/78/532501578.db2.gz AOMGDODAYMQOBK-CQSZACIVSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1)N1CC[NH2+]CC1 ZINC000430599363 532501582 /nfs/dbraw/zinc/50/15/82/532501582.db2.gz AOMGDODAYMQOBK-CQSZACIVSA-N 2 1 384.293 2.232 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1(C)C ZINC000564864561 532535914 /nfs/dbraw/zinc/53/59/14/532535914.db2.gz RFZYLXYSHDKWQZ-UHFFFAOYSA-N 2 1 397.361 2.393 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000432407607 532538542 /nfs/dbraw/zinc/53/85/42/532538542.db2.gz NOQKTPORHOPGSH-UHFFFAOYSA-N 2 1 380.330 2.449 20 0 GEADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccncc2Br)cc1 ZINC000631075652 532542084 /nfs/dbraw/zinc/54/20/84/532542084.db2.gz DYCQAMZDPFUKGM-UHFFFAOYSA-N 2 1 391.313 2.425 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1ccccc1Br ZINC000471188299 532544680 /nfs/dbraw/zinc/54/46/80/532544680.db2.gz PTHPKHFYQYIPGN-UHFFFAOYSA-N 2 1 397.361 2.347 20 0 GEADMP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000565046068 532544721 /nfs/dbraw/zinc/54/47/21/532544721.db2.gz ATEBJXRHBZXXKE-UONOGXRCSA-N 2 1 381.318 2.494 20 0 GEADMP O[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C[NH+]1CCCC1 ZINC000527645461 532549848 /nfs/dbraw/zinc/54/98/48/532549848.db2.gz NYUNPKAMGPQJCK-LBPRGKRZSA-N 2 1 385.331 2.447 20 0 GEADMP COc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000262067485 532584485 /nfs/dbraw/zinc/58/44/85/532584485.db2.gz RUMWIAIVOAVCNG-AWEZNQCLSA-N 2 1 384.318 2.277 20 0 GEADMP COc1ccc(Br)c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000262067485 532584489 /nfs/dbraw/zinc/58/44/89/532584489.db2.gz RUMWIAIVOAVCNG-AWEZNQCLSA-N 2 1 384.318 2.277 20 0 GEADMP O=C(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000565949577 532586345 /nfs/dbraw/zinc/58/63/45/532586345.db2.gz ZVCCFNJVXSZFCR-KRWDZBQOSA-N 2 1 386.323 2.453 20 0 GEADMP O=c1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc2ccc(Br)cn12 ZINC000569206113 532692820 /nfs/dbraw/zinc/69/28/20/532692820.db2.gz CRYOZBQTSILKCG-CJNGLKHVSA-N 2 1 391.313 2.421 20 0 GEADMP O=c1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc2ccc(Br)cn12 ZINC000569206113 532692823 /nfs/dbraw/zinc/69/28/23/532692823.db2.gz CRYOZBQTSILKCG-CJNGLKHVSA-N 2 1 391.313 2.421 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000414750046 532834482 /nfs/dbraw/zinc/83/44/82/532834482.db2.gz QKHQQVZPNNOHLV-RHSMWYFYSA-N 2 1 396.329 2.020 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000414750046 532834486 /nfs/dbraw/zinc/83/44/86/532834486.db2.gz QKHQQVZPNNOHLV-RHSMWYFYSA-N 2 1 396.329 2.020 20 0 GEADMP CCCOc1c(Br)cc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1OCC ZINC000415052122 532837384 /nfs/dbraw/zinc/83/73/84/532837384.db2.gz HRORWQDBEBTAEE-ZDUSSCGKSA-N 2 1 375.307 2.388 20 0 GEADMP CCCOc1c(Br)cc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1OCC ZINC000415052122 532837387 /nfs/dbraw/zinc/83/73/87/532837387.db2.gz HRORWQDBEBTAEE-ZDUSSCGKSA-N 2 1 375.307 2.388 20 0 GEADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CSCCS1 ZINC000364226923 532905223 /nfs/dbraw/zinc/90/52/23/532905223.db2.gz SRXWADVQECSGGR-GOSISDBHSA-N 2 1 385.643 2.490 20 0 GEADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000368416300 532932188 /nfs/dbraw/zinc/93/21/88/532932188.db2.gz JBSSYMLCYYZLSG-IJEWVQPXSA-N 2 1 385.961 2.497 20 0 GEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000368416300 532932190 /nfs/dbraw/zinc/93/21/90/532932190.db2.gz JBSSYMLCYYZLSG-IJEWVQPXSA-N 2 1 385.961 2.497 20 0 GEADMP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3c(Cl)cccc3S(C)(=O)=O)C2)CC1 ZINC000368282440 532931242 /nfs/dbraw/zinc/93/12/42/532931242.db2.gz FZPZVKGFGWPXJV-AWEZNQCLSA-N 2 1 385.961 2.002 20 0 GEADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)oc1C ZINC000737478901 598714800 /nfs/dbraw/zinc/71/48/00/598714800.db2.gz VAKHIOCWMAUQQJ-UHFFFAOYSA-N 2 1 381.484 2.473 20 0 GEADMP c1cc(-c2nn[nH]n2)cc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)o2)c1 ZINC000823738235 599566036 /nfs/dbraw/zinc/56/60/36/599566036.db2.gz RJOXPXOWWIMFAJ-UHFFFAOYSA-N 2 1 394.483 2.225 20 0 GEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821159947 599643871 /nfs/dbraw/zinc/64/38/71/599643871.db2.gz DWUDWNLTAYBMEW-ZDUSSCGKSA-N 2 1 391.907 2.122 20 0 GEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821159947 599643872 /nfs/dbraw/zinc/64/38/72/599643872.db2.gz DWUDWNLTAYBMEW-ZDUSSCGKSA-N 2 1 391.907 2.122 20 0 GEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821159947 599643873 /nfs/dbraw/zinc/64/38/73/599643873.db2.gz DWUDWNLTAYBMEW-ZDUSSCGKSA-N 2 1 391.907 2.122 20 0 GEADMP C[N@H+]1CCCC[C@H]1CCN1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625330 606721620 /nfs/dbraw/zinc/72/16/20/606721620.db2.gz LGKWRRDHULESSS-FQEVSTJZSA-N 2 1 383.544 2.249 20 0 GEADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625330 606721622 /nfs/dbraw/zinc/72/16/22/606721622.db2.gz LGKWRRDHULESSS-FQEVSTJZSA-N 2 1 383.544 2.249 20 0 GEADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625330 606721624 /nfs/dbraw/zinc/72/16/24/606721624.db2.gz LGKWRRDHULESSS-FQEVSTJZSA-N 2 1 383.544 2.249 20 0 GEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821625047 606747648 /nfs/dbraw/zinc/74/76/48/606747648.db2.gz DQCYOUXJNQKXKV-LJQANCHMSA-N 2 1 397.527 2.392 20 0 GEADMP O[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681569 606893660 /nfs/dbraw/zinc/89/36/60/606893660.db2.gz GVTYPGXTTRUTFW-XLIONFOSSA-N 2 1 384.528 2.488 20 0 GEADMP O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681569 606893663 /nfs/dbraw/zinc/89/36/63/606893663.db2.gz GVTYPGXTTRUTFW-XLIONFOSSA-N 2 1 384.528 2.488 20 0 GEADMP c1cc2c(cc1-c1nn[nH]n1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000826517661 608511514 /nfs/dbraw/zinc/51/15/14/608511514.db2.gz KWIQYGHMJKUIHR-AZUAARDMSA-N 2 1 382.512 2.477 20 0 GEADMP C[NH+]1CCC(C)(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826022828 609167880 /nfs/dbraw/zinc/16/78/80/609167880.db2.gz SXTHULIJHLGWPG-UHFFFAOYSA-N 3 1 383.544 2.153 20 0 GEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826330638 609340358 /nfs/dbraw/zinc/34/03/58/609340358.db2.gz BSJUIKUNWKVFMG-UHFFFAOYSA-N 2 1 391.483 2.342 20 0 GEADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824626401 609372164 /nfs/dbraw/zinc/37/21/64/609372164.db2.gz NRFHPWLLAFNICP-YWZLYKJASA-N 2 1 378.480 2.284 20 0 GEADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCOc1cccc(Br)c1 ZINC000515060636 650585859 /nfs/dbraw/zinc/58/58/59/650585859.db2.gz XKNHQEUTPYSDHP-HNNXBMFYSA-N 2 1 384.318 2.147 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000482434522 650665413 /nfs/dbraw/zinc/66/54/13/650665413.db2.gz GWNTZZSGEWBGOV-INIZCTEOSA-N 2 1 384.293 2.329 20 0 GEADMP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240939 650719449 /nfs/dbraw/zinc/71/94/49/650719449.db2.gz NWDXXFGLJNZWBR-HNNXBMFYSA-N 2 1 385.961 2.450 20 0 GEADMP C[C@@H](C[NH3+])CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417882978 648264498 /nfs/dbraw/zinc/26/44/98/648264498.db2.gz GWDMRUDNNSYFAB-ZDUSSCGKSA-N 2 1 383.334 2.308 20 0 GEADMP C[NH2+]CCN(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417885394 648264564 /nfs/dbraw/zinc/26/45/64/648264564.db2.gz IVDJCUHSZLYLQB-UHFFFAOYSA-N 2 1 383.334 2.274 20 0 GEADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417885401 648264608 /nfs/dbraw/zinc/26/46/08/648264608.db2.gz IWQNYZZRBVRMJH-CHWSQXEVSA-N 2 1 383.334 2.448 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420401607 648415887 /nfs/dbraw/zinc/41/58/87/648415887.db2.gz GVSKYSLPBJXPLG-JTQLQIEISA-N 2 1 379.810 2.471 20 0 GEADMP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)s1 ZINC000423386936 648590479 /nfs/dbraw/zinc/59/04/79/648590479.db2.gz LSZWRXHGVAYMIF-DTWKUNHWSA-N 2 1 387.269 2.392 20 0 GEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000603433359 651491260 /nfs/dbraw/zinc/49/12/60/651491260.db2.gz MNJDWLSGWXXSPB-TVYUQYBPSA-N 2 1 387.265 2.334 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000569920936 651733950 /nfs/dbraw/zinc/73/39/50/651733950.db2.gz MEDCZZLHJKEYQC-CQSZACIVSA-N 2 1 377.312 2.434 20 0 GEADMP CCN1CCN(C(=O)[C@@H](C)[N@@H+](C)CCOc2ccc(Br)cc2)CC1 ZINC000612122146 651745833 /nfs/dbraw/zinc/74/58/33/651745833.db2.gz LWGFXYHVECAAHW-OAHLLOKOSA-N 2 1 398.345 2.312 20 0 GEADMP CCN1CCN(C(=O)[C@@H](C)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000612122146 651745841 /nfs/dbraw/zinc/74/58/41/651745841.db2.gz LWGFXYHVECAAHW-OAHLLOKOSA-N 2 1 398.345 2.312 20 0 GEADMP O=C(CC[NH2+]C[C@H](O)C[NH+]1CCCCC1)Nc1ccc(Br)cc1 ZINC000647517830 651749553 /nfs/dbraw/zinc/74/95/53/651749553.db2.gz KETTVMAVAVSCRK-INIZCTEOSA-N 2 1 384.318 2.214 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000617504875 651955183 /nfs/dbraw/zinc/95/51/83/651955183.db2.gz NSOAESAFCTYRFM-LBPRGKRZSA-N 2 1 383.587 2.426 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000617504875 651955187 /nfs/dbraw/zinc/95/51/87/651955187.db2.gz NSOAESAFCTYRFM-LBPRGKRZSA-N 2 1 383.587 2.426 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000617506354 651955966 /nfs/dbraw/zinc/95/59/66/651955966.db2.gz KPWVHFUKMQROHO-XJKSGUPXSA-N 2 1 398.345 2.313 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000617506354 651955970 /nfs/dbraw/zinc/95/59/70/651955970.db2.gz KPWVHFUKMQROHO-XJKSGUPXSA-N 2 1 398.345 2.313 20 0 GEADMP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000573742166 651977086 /nfs/dbraw/zinc/97/70/86/651977086.db2.gz WIRZFYMSDYHFQJ-FUHWJXTLSA-N 2 1 385.346 2.253 20 0 GEADMP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000573742166 651977088 /nfs/dbraw/zinc/97/70/88/651977088.db2.gz WIRZFYMSDYHFQJ-FUHWJXTLSA-N 2 1 385.346 2.253 20 0 GEADMP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000573742166 651977092 /nfs/dbraw/zinc/97/70/92/651977092.db2.gz WIRZFYMSDYHFQJ-FUHWJXTLSA-N 2 1 385.346 2.253 20 0 GEADMP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000573742166 651977097 /nfs/dbraw/zinc/97/70/97/651977097.db2.gz WIRZFYMSDYHFQJ-FUHWJXTLSA-N 2 1 385.346 2.253 20 0 GEADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1ccccc1Br ZINC000655733682 652009063 /nfs/dbraw/zinc/00/90/63/652009063.db2.gz PPNQARLYBCWGOH-HZPDHXFCSA-N 2 1 399.329 2.032 20 0 GEADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000574642847 652033564 /nfs/dbraw/zinc/03/35/64/652033564.db2.gz FOCYMAVLZUQVKB-GJZGRUSLSA-N 2 1 386.334 2.090 20 0 GEADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000574642847 652033569 /nfs/dbraw/zinc/03/35/69/652033569.db2.gz FOCYMAVLZUQVKB-GJZGRUSLSA-N 2 1 386.334 2.090 20 0 GEADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H](C)CC(F)(F)F ZINC000656890347 652062905 /nfs/dbraw/zinc/06/29/05/652062905.db2.gz GZWMDMPDLPRKJA-GJZGRUSLSA-N 2 1 387.512 2.253 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H](C)CC(F)(F)F ZINC000656890347 652062909 /nfs/dbraw/zinc/06/29/09/652062909.db2.gz GZWMDMPDLPRKJA-GJZGRUSLSA-N 2 1 387.512 2.253 20 0 GEADMP C[NH+]1CCC(NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)CC1 ZINC000749102821 652235057 /nfs/dbraw/zinc/23/50/57/652235057.db2.gz SPMRZTBYEHTDGO-UHFFFAOYSA-N 2 1 381.977 2.472 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)[C@@H]2CCC[C@@H]21 ZINC000658095258 652236450 /nfs/dbraw/zinc/23/64/50/652236450.db2.gz FUFZJVISHZQDRA-DZKIICNBSA-N 2 1 381.318 2.036 20 0 GEADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662246055 652454287 /nfs/dbraw/zinc/45/42/87/652454287.db2.gz XYXYDPPSAMQRGB-LBPRGKRZSA-N 2 1 380.286 2.482 20 0 GEADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000662357411 652457207 /nfs/dbraw/zinc/45/72/07/652457207.db2.gz YVSOQVYSAKCDHQ-UHFFFAOYSA-N 2 1 393.310 2.471 20 0 GEADMP COCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662439198 652460887 /nfs/dbraw/zinc/46/08/87/652460887.db2.gz KHLJXWQJBNKAJD-INIZCTEOSA-N 2 1 384.318 2.066 20 0 GEADMP [NH3+][C@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Br ZINC000662467189 652462886 /nfs/dbraw/zinc/46/28/86/652462886.db2.gz QYCHTLQKKARMHO-DYVFJYSZSA-N 2 1 396.329 2.066 20 0 GEADMP [NH3+][C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000662467191 652463067 /nfs/dbraw/zinc/46/30/67/652463067.db2.gz QYCHTLQKKARMHO-SUMWQHHRSA-N 2 1 396.329 2.066 20 0 GEADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000662796130 652474692 /nfs/dbraw/zinc/47/46/92/652474692.db2.gz IPRLOMHERLJBKV-DLBZAZTESA-N 2 1 386.323 2.438 20 0 GEADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000662796134 652474948 /nfs/dbraw/zinc/47/49/48/652474948.db2.gz IPRLOMHERLJBKV-SJORKVTESA-N 2 1 386.323 2.438 20 0 GEADMP C[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](C)[S@@](=O)CC2)CC[S@]1=O ZINC000759866626 652589434 /nfs/dbraw/zinc/58/94/34/652589434.db2.gz GZABLFNYSIGYIH-LYWNTADJSA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](C)[S@@](=O)CC2)CC[S@]1=O ZINC000759866626 652589440 /nfs/dbraw/zinc/58/94/40/652589440.db2.gz GZABLFNYSIGYIH-LYWNTADJSA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](C)[S@@](=O)CC2)CC[S@]1=O ZINC000759866626 652589443 /nfs/dbraw/zinc/58/94/43/652589443.db2.gz GZABLFNYSIGYIH-LYWNTADJSA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Br)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764463850 652801539 /nfs/dbraw/zinc/80/15/39/652801539.db2.gz ACXPQRPGVUYXQE-LZQZEXGQSA-N 2 1 396.373 2.440 20 0 GEADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000639761152 652951794 /nfs/dbraw/zinc/95/17/94/652951794.db2.gz KMAWMEZKOQDAHO-KRWDZBQOSA-N 2 1 384.318 2.166 20 0 GEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000639761152 652951797 /nfs/dbraw/zinc/95/17/97/652951797.db2.gz KMAWMEZKOQDAHO-KRWDZBQOSA-N 2 1 384.318 2.166 20 0 GEADMP Cc1ccc(Br)cc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641138711 653161902 /nfs/dbraw/zinc/16/19/02/653161902.db2.gz IEJZTXBUUUQXLX-UHFFFAOYSA-N 2 1 378.318 2.363 20 0 GEADMP Oc1ccc(Br)c(CN[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1 ZINC000641787516 653233846 /nfs/dbraw/zinc/23/38/46/653233846.db2.gz CGZAFLBKYZOTEB-INIZCTEOSA-N 2 1 398.345 2.041 20 0 GEADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876894435 653452474 /nfs/dbraw/zinc/45/24/74/653452474.db2.gz VPTALVADXBSBGE-FDRIWYBQSA-N 2 1 375.822 2.428 20 0 GEADMP C[NH+]1CCC(NC(=O)C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000878091548 653628467 /nfs/dbraw/zinc/62/84/67/653628467.db2.gz GFXAAIWEILRKJU-UHFFFAOYSA-N 2 1 388.339 2.388 20 0 GEADMP C[NH+]1CCC(NC(=O)C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000878091548 653628469 /nfs/dbraw/zinc/62/84/69/653628469.db2.gz GFXAAIWEILRKJU-UHFFFAOYSA-N 2 1 388.339 2.388 20 0 GEADMP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccccc3I)C2)nn1 ZINC000841099773 653706375 /nfs/dbraw/zinc/70/63/75/653706375.db2.gz ORZILROUVATKGW-AWEZNQCLSA-N 2 1 397.264 2.179 20 0 GEADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccccc3I)C2)nn1 ZINC000841099773 653706377 /nfs/dbraw/zinc/70/63/77/653706377.db2.gz ORZILROUVATKGW-AWEZNQCLSA-N 2 1 397.264 2.179 20 0 GEADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)C2 ZINC000843111186 653779721 /nfs/dbraw/zinc/77/97/21/653779721.db2.gz DSBRMPGUOVEFQA-CRAIPNDOSA-N 2 1 394.313 2.127 20 0 GEADMP C[NH+]1CCN(c2ccc(NC(=O)c3csc(CC[NH3+])n3)cc2Cl)CC1 ZINC000844190844 653803058 /nfs/dbraw/zinc/80/30/58/653803058.db2.gz ROGILFQTDDFSFH-UHFFFAOYSA-N 2 1 379.917 2.302 20 0 GEADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000866706153 653813098 /nfs/dbraw/zinc/81/30/98/653813098.db2.gz AAOBKOSGLNHELC-BJJXKVORSA-N 2 1 386.279 2.239 20 0 GEADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000866706153 653813102 /nfs/dbraw/zinc/81/31/02/653813102.db2.gz AAOBKOSGLNHELC-BJJXKVORSA-N 2 1 386.279 2.239 20 0 GEADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000866706483 653813182 /nfs/dbraw/zinc/81/31/82/653813182.db2.gz ATINXACBAGIQTE-XPKDYRNWSA-N 2 1 386.279 2.239 20 0 GEADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000866706483 653813185 /nfs/dbraw/zinc/81/31/85/653813185.db2.gz ATINXACBAGIQTE-XPKDYRNWSA-N 2 1 386.279 2.239 20 0 GEADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714052 653814082 /nfs/dbraw/zinc/81/40/82/653814082.db2.gz DXEUYCTVJPMURA-MPESAESLSA-N 2 1 380.286 2.377 20 0 GEADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714052 653814085 /nfs/dbraw/zinc/81/40/85/653814085.db2.gz DXEUYCTVJPMURA-MPESAESLSA-N 2 1 380.286 2.377 20 0 GEADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714050 653814289 /nfs/dbraw/zinc/81/42/89/653814289.db2.gz DXEUYCTVJPMURA-CAPXZKIUSA-N 2 1 380.286 2.377 20 0 GEADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714050 653814291 /nfs/dbraw/zinc/81/42/91/653814291.db2.gz DXEUYCTVJPMURA-CAPXZKIUSA-N 2 1 380.286 2.377 20 0 GEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000846221731 653891672 /nfs/dbraw/zinc/89/16/72/653891672.db2.gz DLPASLFBVXXGCW-KYJSFNMBSA-N 2 1 386.945 2.332 20 0 GEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000846221731 653891673 /nfs/dbraw/zinc/89/16/73/653891673.db2.gz DLPASLFBVXXGCW-KYJSFNMBSA-N 2 1 386.945 2.332 20 0 GEADMP CN(C)Cc1ccc(NC(=O)C2CN([C@H]3CCOC3)C2)cc1Br ZINC000897516496 653925260 /nfs/dbraw/zinc/92/52/60/653925260.db2.gz HOFSHHYVMMISRW-HNNXBMFYSA-N 2 1 382.302 2.170 20 0 GEADMP Cc1cccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1Br ZINC000903779258 654283175 /nfs/dbraw/zinc/28/31/75/654283175.db2.gz XMEWYRLUMXPJHB-ZNMIVQPWSA-N 2 1 380.286 2.124 20 0 GEADMP Cc1cccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1Br ZINC000903779258 654283178 /nfs/dbraw/zinc/28/31/78/654283178.db2.gz XMEWYRLUMXPJHB-ZNMIVQPWSA-N 2 1 380.286 2.124 20 0 GEADMP CCS(=O)(=O)c1ccc(N2CCC([NH2+]C[C@H]([NH3+])CC(F)F)CC2)cc1 ZINC000903923534 654291973 /nfs/dbraw/zinc/29/19/73/654291973.db2.gz WLJDAFPXYZOAID-CYBMUJFWSA-N 2 1 375.485 2.021 20 0 GEADMP C[C@@H](C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(Br)c1 ZINC000872255638 654319875 /nfs/dbraw/zinc/31/98/75/654319875.db2.gz KQTWGLCGKUDADU-SJWGOKEGSA-N 2 1 394.313 2.420 20 0 GEADMP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000905332402 654350794 /nfs/dbraw/zinc/35/07/94/654350794.db2.gz WCCWIYJHCGRQCV-SFHVURJKSA-N 2 1 385.961 2.396 20 0 GEADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(Br)nn3C)CC2)CC1 ZINC000854588661 654369003 /nfs/dbraw/zinc/36/90/03/654369003.db2.gz IRDOQQBMWTXXCM-UHFFFAOYSA-N 2 1 398.349 2.317 20 0 GEADMP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873207733 654422481 /nfs/dbraw/zinc/42/24/81/654422481.db2.gz PPAPZHZXZLCPIA-UHFFFAOYSA-N 2 1 379.551 2.113 20 0 GEADMP Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873207733 654422487 /nfs/dbraw/zinc/42/24/87/654422487.db2.gz PPAPZHZXZLCPIA-UHFFFAOYSA-N 2 1 379.551 2.113 20 0 GEADMP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484754 654455439 /nfs/dbraw/zinc/45/54/39/654455439.db2.gz BNTJCGANRYUTJF-VXGBXAGGSA-N 2 1 387.265 2.289 20 0 GEADMP C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC000923502222 654457114 /nfs/dbraw/zinc/45/71/14/654457114.db2.gz AKHUWIGTCRQONQ-CHWSQXEVSA-N 2 1 375.332 2.140 20 0 GEADMP C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC000923502222 654457118 /nfs/dbraw/zinc/45/71/18/654457118.db2.gz AKHUWIGTCRQONQ-CHWSQXEVSA-N 2 1 375.332 2.140 20 0 GEADMP COc1ccc(C[C@@H](CO)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1Br ZINC000925684370 654547736 /nfs/dbraw/zinc/54/77/36/654547736.db2.gz ABQSQMNPTVQZDP-PBHICJAKSA-N 2 1 383.330 2.483 20 0 GEADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000925775703 654549097 /nfs/dbraw/zinc/54/90/97/654549097.db2.gz RLSIEKVTLZGJGI-ZLIFDBKOSA-N 2 1 379.302 2.477 20 0 GEADMP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ncc(Br)cc1F ZINC000925849093 654551308 /nfs/dbraw/zinc/55/13/08/654551308.db2.gz HNRHBAOBXWKPOB-ZYHUDNBSSA-N 2 1 386.265 2.319 20 0 GEADMP [NH3+][C@@H](C(=O)NCC1([NH3+])CCCCC1)c1ccccc1I ZINC000911652937 654729196 /nfs/dbraw/zinc/72/91/96/654729196.db2.gz YVIPNQVDJUKADB-CYBMUJFWSA-N 2 1 387.265 2.069 20 0 GEADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(CC[S@@](=O)C(F)(F)F)C2)ccn1 ZINC000931094217 654729321 /nfs/dbraw/zinc/72/93/21/654729321.db2.gz OZIDYOJRRZPINO-SGANQWHYSA-N 2 1 379.448 2.255 20 0 GEADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)n1 ZINC001164410070 718853022 /nfs/dbraw/zinc/85/30/22/718853022.db2.gz YNYWAHWCSUIEOG-QRWLVFNGSA-N 2 1 389.569 2.168 20 0 GEADMP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)CC2 ZINC001164683624 719722705 /nfs/dbraw/zinc/72/27/05/719722705.db2.gz BDYQUODQWUGRMS-UHFFFAOYSA-N 2 1 398.507 2.433 20 0 GEADMP CCOc1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164741246 720827456 /nfs/dbraw/zinc/82/74/56/720827456.db2.gz MROMAJDDQNRGGP-WSTZPKSXSA-N 2 1 382.512 2.451 20 0 GEADMP Cc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164866897 721053725 /nfs/dbraw/zinc/05/37/25/721053725.db2.gz GUECCKFYQNCEJQ-WOJBJXKFSA-N 2 1 394.523 2.260 20 0 GEADMP Cn1ccc2c1cc[nH+]c2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912838 721775264 /nfs/dbraw/zinc/77/52/64/721775264.db2.gz QRPULEKEELUWCO-JOCHJYFZSA-N 2 1 393.491 2.076 20 0 GEADMP Cn1ccc2c1cc[nH+]c2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912838 721775267 /nfs/dbraw/zinc/77/52/67/721775267.db2.gz QRPULEKEELUWCO-JOCHJYFZSA-N 2 1 393.491 2.076 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164981855 722109370 /nfs/dbraw/zinc/10/93/70/722109370.db2.gz VJRHSOCBXPZHDI-MJGOQNOKSA-N 2 1 378.480 2.389 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164981855 722109373 /nfs/dbraw/zinc/10/93/73/722109373.db2.gz VJRHSOCBXPZHDI-MJGOQNOKSA-N 2 1 378.480 2.389 20 0 GEADMP c1cn(-c2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2)cn1 ZINC001164983848 722149783 /nfs/dbraw/zinc/14/97/83/722149783.db2.gz VTPAKDKLEBLYSY-FPOVZHCZSA-N 2 1 390.491 2.390 20 0 GEADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174713527 532074873 /nfs/dbraw/zinc/07/48/73/532074873.db2.gz QXJMSRQBLNSHHS-OAHLLOKOSA-N 2 1 397.361 2.345 20 0 GEADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721676 532076020 /nfs/dbraw/zinc/07/60/20/532076020.db2.gz QFIYUQFCNAIAPB-HNNXBMFYSA-N 2 1 397.361 2.345 20 0 GEADMP C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCSCC2)[C@@H]1c1cccs1 ZINC000465914284 532421296 /nfs/dbraw/zinc/42/12/96/532421296.db2.gz ALRFTYIHJRQZDN-NVXWUHKLSA-N 2 1 382.599 2.479 20 0 GEADMP C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCSCC2)[C@@H]1c1cccs1 ZINC000465914284 532421307 /nfs/dbraw/zinc/42/13/07/532421307.db2.gz ALRFTYIHJRQZDN-NVXWUHKLSA-N 2 1 382.599 2.479 20 0 GEADMP C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCSCC2)[C@@H]1c1cccs1 ZINC000465914278 532421780 /nfs/dbraw/zinc/42/17/80/532421780.db2.gz ALRFTYIHJRQZDN-DOTOQJQBSA-N 2 1 382.599 2.479 20 0 GEADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCSCC2)[C@@H]1c1cccs1 ZINC000465914278 532421786 /nfs/dbraw/zinc/42/17/86/532421786.db2.gz ALRFTYIHJRQZDN-DOTOQJQBSA-N 2 1 382.599 2.479 20 0 GEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3cccc(I)c3)C[C@H]21 ZINC000228477483 532489872 /nfs/dbraw/zinc/48/98/72/532489872.db2.gz AFDFWDGAZWQOHT-NILFDRSVSA-N 2 1 399.276 2.289 20 0 GEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cccc(I)c3)C[C@H]21 ZINC000228477483 532489879 /nfs/dbraw/zinc/48/98/79/532489879.db2.gz AFDFWDGAZWQOHT-NILFDRSVSA-N 2 1 399.276 2.289 20 0 GEADMP O=C(CC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1)N1CC[NH2+]CC1 ZINC000629549621 532495449 /nfs/dbraw/zinc/49/54/49/532495449.db2.gz KHGXRCLJGWAUSW-INIZCTEOSA-N 2 1 398.370 2.437 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1 ZINC000429415178 532475385 /nfs/dbraw/zinc/47/53/85/532475385.db2.gz HMXLUIBXJQXFHW-OAHLLOKOSA-N 2 1 385.346 2.301 20 0 GEADMP O=S(=O)(CC[NH+]1CCC2(CC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000431024496 532502783 /nfs/dbraw/zinc/50/27/83/532502783.db2.gz PBYQECSANFUTBU-UHFFFAOYSA-N 2 1 387.343 2.298 20 0 GEADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000469850883 532514430 /nfs/dbraw/zinc/51/44/30/532514430.db2.gz GHFBKWVZDCGTIA-DYVFJYSZSA-N 2 1 396.329 2.235 20 0 GEADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(O)ccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000469850883 532514438 /nfs/dbraw/zinc/51/44/38/532514438.db2.gz GHFBKWVZDCGTIA-DYVFJYSZSA-N 2 1 396.329 2.235 20 0 GEADMP C[C@H](C[NH2+]Cc1ncc(Br)cc1Cl)CN1CC[NH+](C)CC1 ZINC000631063059 532542927 /nfs/dbraw/zinc/54/29/27/532542927.db2.gz GVTZSSLNGMSMHY-GFCCVEGCSA-N 2 1 375.742 2.471 20 0 GEADMP CC(C)[N@H+](C)CCNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595949298 532580269 /nfs/dbraw/zinc/58/02/69/532580269.db2.gz WSBMUKBJKGSCAC-UHFFFAOYSA-N 2 1 393.294 2.026 20 0 GEADMP CC(C)[N@@H+](C)CCNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595949298 532580272 /nfs/dbraw/zinc/58/02/72/532580272.db2.gz WSBMUKBJKGSCAC-UHFFFAOYSA-N 2 1 393.294 2.026 20 0 GEADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000582784658 532761816 /nfs/dbraw/zinc/76/18/16/532761816.db2.gz OAXQAPCMCHNXOE-CYBMUJFWSA-N 2 1 380.330 2.385 20 0 GEADMP C[C@@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000414726847 532834924 /nfs/dbraw/zinc/83/49/24/532834924.db2.gz AOBVGCNSFPJBQA-OLZOCXBDSA-N 2 1 377.963 2.096 20 0 GEADMP [NH3+]C[C@@H]1C[N@H+](CCCOc2cccc(I)c2)CCCO1 ZINC000415107162 532838149 /nfs/dbraw/zinc/83/81/49/532838149.db2.gz KOCMDMJRPJLNLO-OAHLLOKOSA-N 2 1 390.265 2.110 20 0 GEADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2cccc(I)c2)CCCO1 ZINC000415107162 532838151 /nfs/dbraw/zinc/83/81/51/532838151.db2.gz KOCMDMJRPJLNLO-OAHLLOKOSA-N 2 1 390.265 2.110 20 0 GEADMP Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)C2=O)n1 ZINC000359998334 209211966 /nfs/dbraw/zinc/21/19/66/209211966.db2.gz LQGKXGZKUKRGRJ-WTGUMLROSA-N 2 1 379.508 2.026 20 0 GEADMP Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)C2=O)n1 ZINC000359998334 209211969 /nfs/dbraw/zinc/21/19/69/209211969.db2.gz LQGKXGZKUKRGRJ-WTGUMLROSA-N 2 1 379.508 2.026 20 0 GEADMP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000290190363 532875311 /nfs/dbraw/zinc/87/53/11/532875311.db2.gz CCPIDMGCJQKIGU-OAHLLOKOSA-N 2 1 394.361 2.460 20 0 GEADMP CSc1nc2ncnc(N(C)[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)c2s1 ZINC000367501821 532925680 /nfs/dbraw/zinc/92/56/80/532925680.db2.gz BSPJTIRDADJZIG-CYBMUJFWSA-N 2 1 378.571 2.413 20 0 GEADMP CSc1nc2ncnc(N(C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)c2s1 ZINC000367501821 532925682 /nfs/dbraw/zinc/92/56/82/532925682.db2.gz BSPJTIRDADJZIG-CYBMUJFWSA-N 2 1 378.571 2.413 20 0 GEADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735876052 598914910 /nfs/dbraw/zinc/91/49/10/598914910.db2.gz UGCMNXIDHDKNDH-UHFFFAOYSA-N 2 1 399.543 2.066 20 0 GEADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccccc2C[NH+]2CCC(O)CC2)[nH+]1 ZINC000822193453 607327533 /nfs/dbraw/zinc/32/75/33/607327533.db2.gz YHAFDNSEFPIZPX-UHFFFAOYSA-N 2 1 393.495 2.447 20 0 GEADMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000821190150 599564548 /nfs/dbraw/zinc/56/45/48/599564548.db2.gz ZNRJVHZOUSMFCT-UHFFFAOYSA-N 2 1 396.499 2.471 20 0 GEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826330639 607562890 /nfs/dbraw/zinc/56/28/90/607562890.db2.gz BTCHRCAPMWELHF-UHFFFAOYSA-N 2 1 380.500 2.364 20 0 GEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826330639 607562891 /nfs/dbraw/zinc/56/28/91/607562891.db2.gz BTCHRCAPMWELHF-UHFFFAOYSA-N 2 1 380.500 2.364 20 0 GEADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@@H](c2ccccc2)C1 ZINC000821627377 606409642 /nfs/dbraw/zinc/40/96/42/606409642.db2.gz YVLAMLMFKZHNDM-GOSISDBHSA-N 2 1 397.552 2.397 20 0 GEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826330670 608104789 /nfs/dbraw/zinc/10/47/89/608104789.db2.gz CTDZPYYGJYZHOU-UHFFFAOYSA-N 2 1 394.483 2.112 20 0 GEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826034669 608451099 /nfs/dbraw/zinc/45/10/99/608451099.db2.gz VEQQIIFGYZMSET-GOSISDBHSA-N 2 1 383.500 2.002 20 0 GEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000825866090 608509076 /nfs/dbraw/zinc/50/90/76/608509076.db2.gz QVHZSJRGOBFTSB-HXUWFJFHSA-N 2 1 383.544 2.107 20 0 GEADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826508958 609381927 /nfs/dbraw/zinc/38/19/27/609381927.db2.gz HQUNFPZPOUJPPA-IBGZPJMESA-N 2 1 396.470 2.252 20 0 GEADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826508958 609381930 /nfs/dbraw/zinc/38/19/30/609381930.db2.gz HQUNFPZPOUJPPA-IBGZPJMESA-N 2 1 396.470 2.252 20 0 GEADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000451560907 650125277 /nfs/dbraw/zinc/12/52/77/650125277.db2.gz BDPUJLXSJSSJOZ-INIZCTEOSA-N 2 1 380.330 2.403 20 0 GEADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000451560907 650125278 /nfs/dbraw/zinc/12/52/78/650125278.db2.gz BDPUJLXSJSSJOZ-INIZCTEOSA-N 2 1 380.330 2.403 20 0 GEADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000520211765 650613866 /nfs/dbraw/zinc/61/38/66/650613866.db2.gz SCNNZKLGAMUTKQ-ZDUSSCGKSA-N 2 1 378.108 2.368 20 0 GEADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000520211765 650613868 /nfs/dbraw/zinc/61/38/68/650613868.db2.gz SCNNZKLGAMUTKQ-ZDUSSCGKSA-N 2 1 378.108 2.368 20 0 GEADMP C[NH+](C)[C@]1(CNC(=O)N2CC[NH+](CCc3cccs3)CC2)CCSC1 ZINC000481785868 650653226 /nfs/dbraw/zinc/65/32/26/650653226.db2.gz VJBIIRLNIOTSPY-SFHVURJKSA-N 2 1 382.599 2.055 20 0 GEADMP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cn1 ZINC000482968105 650671900 /nfs/dbraw/zinc/67/19/00/650671900.db2.gz YOPCQXUOIHFMSI-GFCCVEGCSA-N 2 1 381.318 2.238 20 0 GEADMP C[C@H]([NH3+])C1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000110649913 643316404 /nfs/dbraw/zinc/31/64/04/643316404.db2.gz LVPFOPVJLQGMSQ-LBPRGKRZSA-N 2 1 375.332 2.282 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)nc1Cl ZINC000185476718 645046988 /nfs/dbraw/zinc/04/69/88/645046988.db2.gz VRBWPSSCXFIFFP-OAHLLOKOSA-N 2 1 388.965 2.080 20 0 GEADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261854584 645606000 /nfs/dbraw/zinc/60/60/00/645606000.db2.gz JUDVZEBXEQRXMH-LXZKKBNFSA-N 2 1 380.330 2.467 20 0 GEADMP Brc1cccc(-c2c[nH]c(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000262123669 645618384 /nfs/dbraw/zinc/61/83/84/645618384.db2.gz MPTCPTYXVDTEKL-MRXNPFEDSA-N 2 1 390.329 2.319 20 0 GEADMP Brc1cccc(-c2c[nH]c(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000262123669 645618390 /nfs/dbraw/zinc/61/83/90/645618390.db2.gz MPTCPTYXVDTEKL-MRXNPFEDSA-N 2 1 390.329 2.319 20 0 GEADMP C[C@H]1C[C@@H](C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000333104285 647461962 /nfs/dbraw/zinc/46/19/62/647461962.db2.gz FIPLCMPWVCGCBW-KBPBESRZSA-N 2 1 391.990 2.486 20 0 GEADMP C[N@H+](C[C@H](O)CC(F)(F)F)[C@H]1CCC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000364890806 647647334 /nfs/dbraw/zinc/64/73/34/647647334.db2.gz BNFGUFCPOPSBNK-XQQFMLRXSA-N 2 1 380.373 2.399 20 0 GEADMP C[N@@H+](C[C@H](O)CC(F)(F)F)[C@H]1CCC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000364890806 647647337 /nfs/dbraw/zinc/64/73/37/647647337.db2.gz BNFGUFCPOPSBNK-XQQFMLRXSA-N 2 1 380.373 2.399 20 0 GEADMP C[NH+](C[C@H](O)CC(F)(F)F)[C@H]1CCC[N@H+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000364890806 647647339 /nfs/dbraw/zinc/64/73/39/647647339.db2.gz BNFGUFCPOPSBNK-XQQFMLRXSA-N 2 1 380.373 2.399 20 0 GEADMP C[NH+](C[C@H](O)CC(F)(F)F)[C@H]1CCC[N@@H+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000364890806 647647341 /nfs/dbraw/zinc/64/73/41/647647341.db2.gz BNFGUFCPOPSBNK-XQQFMLRXSA-N 2 1 380.373 2.399 20 0 GEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C[NH3+] ZINC000397335291 647898074 /nfs/dbraw/zinc/89/80/74/647898074.db2.gz STZICNUZHQUQFS-AGIUHOORSA-N 2 1 379.302 2.262 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCc3c(Br)ccc(F)c3C2)C1 ZINC000414717222 648101343 /nfs/dbraw/zinc/10/13/43/648101343.db2.gz UAPHUFKJPFDZQD-GFCCVEGCSA-N 2 1 384.293 2.144 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCc3c(Br)ccc(F)c3C2)C1 ZINC000414717222 648101346 /nfs/dbraw/zinc/10/13/46/648101346.db2.gz UAPHUFKJPFDZQD-GFCCVEGCSA-N 2 1 384.293 2.144 20 0 GEADMP O=C1[C@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000420345241 648413359 /nfs/dbraw/zinc/41/33/59/648413359.db2.gz ADWQJEKHGTVQEZ-WMLDXEAASA-N 2 1 383.323 2.078 20 0 GEADMP O=C1[C@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000420345241 648413364 /nfs/dbraw/zinc/41/33/64/648413364.db2.gz ADWQJEKHGTVQEZ-WMLDXEAASA-N 2 1 383.323 2.078 20 0 GEADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)s1 ZINC000422721576 648574229 /nfs/dbraw/zinc/57/42/29/648574229.db2.gz VPXLRHURFINPCF-ZDUSSCGKSA-N 2 1 382.555 2.479 20 0 GEADMP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)CC[NH2+]CC1 ZINC000423134411 648583984 /nfs/dbraw/zinc/58/39/84/648583984.db2.gz RUJGHOGNHNKQPF-NEPJUHHUSA-N 2 1 385.306 2.211 20 0 GEADMP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)cc1F ZINC000423376657 648590136 /nfs/dbraw/zinc/59/01/36/648590136.db2.gz DWPSINCTFUTHAI-JOYOIKCWSA-N 2 1 399.230 2.470 20 0 GEADMP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423511848 648593590 /nfs/dbraw/zinc/59/35/90/648593590.db2.gz KIPKJOLDOKCGEQ-XJKSGUPXSA-N 2 1 387.309 2.106 20 0 GEADMP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000560581246 651312032 /nfs/dbraw/zinc/31/20/32/651312032.db2.gz OQSJHGYTAYVWIT-ZACQAIPSSA-N 2 1 385.961 2.389 20 0 GEADMP CC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000569094917 651700521 /nfs/dbraw/zinc/70/05/21/651700521.db2.gz FNVQWAHRWGSXIS-HNNXBMFYSA-N 2 1 375.282 2.402 20 0 GEADMP Cc1[nH+]ccn1CCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000570036632 651741591 /nfs/dbraw/zinc/74/15/91/651741591.db2.gz CBSBMHBHVHWZAB-UHFFFAOYSA-N 2 1 386.315 2.408 20 0 GEADMP CCO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000652357579 651916884 /nfs/dbraw/zinc/91/68/84/651916884.db2.gz ZMRSENAQIINLDK-IAQYHMDHSA-N 2 1 388.281 2.212 20 0 GEADMP COc1ccc(Br)cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505571 651954837 /nfs/dbraw/zinc/95/48/37/651954837.db2.gz INDZHFPXLUEHJV-ZDUSSCGKSA-N 2 1 386.334 2.460 20 0 GEADMP COc1ccc(Br)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505571 651954841 /nfs/dbraw/zinc/95/48/41/651954841.db2.gz INDZHFPXLUEHJV-ZDUSSCGKSA-N 2 1 386.334 2.460 20 0 GEADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)COc1cc(F)cc(Br)c1 ZINC000573595352 651967613 /nfs/dbraw/zinc/96/76/13/651967613.db2.gz KEMNZGSWAUURAE-LRDDRELGSA-N 2 1 387.293 2.402 20 0 GEADMP O=c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc2ccc(Br)cn12 ZINC000574519493 652027263 /nfs/dbraw/zinc/02/72/63/652027263.db2.gz MSLDYVDVYYZSPO-ZIAGYGMSSA-N 2 1 391.313 2.279 20 0 GEADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000574642848 652033845 /nfs/dbraw/zinc/03/38/45/652033845.db2.gz FOCYMAVLZUQVKB-HUUCEWRRSA-N 2 1 386.334 2.090 20 0 GEADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000574642848 652033853 /nfs/dbraw/zinc/03/38/53/652033853.db2.gz FOCYMAVLZUQVKB-HUUCEWRRSA-N 2 1 386.334 2.090 20 0 GEADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)CC12CCOCC2 ZINC000574692304 652036858 /nfs/dbraw/zinc/03/68/58/652036858.db2.gz YRWZAFUCIKASOE-AWEZNQCLSA-N 2 1 396.329 2.465 20 0 GEADMP COCC1(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC[NH2+]CC1 ZINC000575986416 652089384 /nfs/dbraw/zinc/08/93/84/652089384.db2.gz CFQXHEUTVQFZNQ-UHFFFAOYSA-N 2 1 384.318 2.465 20 0 GEADMP O=C(CCOC1C[NH2+]C1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000576028892 652091218 /nfs/dbraw/zinc/09/12/18/652091218.db2.gz AGZXKHPYQVUBIP-UHFFFAOYSA-N 2 1 386.323 2.453 20 0 GEADMP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623085920 652224724 /nfs/dbraw/zinc/22/47/24/652224724.db2.gz NJKUSCASUDUJRD-LBPRGKRZSA-N 2 1 395.301 2.028 20 0 GEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000623086243 652224836 /nfs/dbraw/zinc/22/48/36/652224836.db2.gz DSDFJXARHAQSMM-UHFFFAOYSA-N 2 1 379.302 2.352 20 0 GEADMP [NH3+][C@@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1Br ZINC000662446988 652461442 /nfs/dbraw/zinc/46/14/42/652461442.db2.gz LNXJTTMJOOSSGY-MRXNPFEDSA-N 2 1 396.329 2.210 20 0 GEADMP O=C1[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1cccc(Br)c1 ZINC000582845982 652463792 /nfs/dbraw/zinc/46/37/92/652463792.db2.gz SEIAQJBLVAUPCV-JKIFEVAISA-N 2 1 378.314 2.486 20 0 GEADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000662728762 652471886 /nfs/dbraw/zinc/47/18/86/652471886.db2.gz XAFOSTVCVQUYCV-WMLDXEAASA-N 2 1 386.323 2.438 20 0 GEADMP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CCO1 ZINC000662973222 652480071 /nfs/dbraw/zinc/48/00/71/652480071.db2.gz QIJPYGUJFSPILG-XJKSGUPXSA-N 2 1 384.318 2.018 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCSC[C@@H]1c1nccs1 ZINC000665760892 652559541 /nfs/dbraw/zinc/55/95/41/652559541.db2.gz RICBCGGFCCKYLH-LSDHHAIUSA-N 2 1 385.603 2.215 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCSC[C@@H]1c1nccs1 ZINC000665760892 652559544 /nfs/dbraw/zinc/55/95/44/652559544.db2.gz RICBCGGFCCKYLH-LSDHHAIUSA-N 2 1 385.603 2.215 20 0 GEADMP Cc1cc(Br)c2c(c1)CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000634997496 652681700 /nfs/dbraw/zinc/68/17/00/652681700.db2.gz MTZZNSJGTQJEBU-CQSZACIVSA-N 2 1 380.330 2.313 20 0 GEADMP C[C@H](CCCC[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595952102 652742843 /nfs/dbraw/zinc/74/28/43/652742843.db2.gz WVBNVUFVHCAQOY-MRVPVSSYSA-N 2 1 393.294 2.203 20 0 GEADMP COc1nsc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1Br ZINC000638350898 652887122 /nfs/dbraw/zinc/88/71/22/652887122.db2.gz ADRIQHMKGBPPRL-LBPRGKRZSA-N 2 1 391.379 2.276 20 0 GEADMP C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Br)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878323576 653634448 /nfs/dbraw/zinc/63/44/48/653634448.db2.gz ACXPQRPGVUYXQE-ZYSHUDEJSA-N 2 1 396.373 2.440 20 0 GEADMP C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Br)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878323574 653634555 /nfs/dbraw/zinc/63/45/55/653634555.db2.gz ACXPQRPGVUYXQE-KFKAGJAMSA-N 2 1 396.373 2.440 20 0 GEADMP COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C)CC1 ZINC000878492711 653638810 /nfs/dbraw/zinc/63/88/10/653638810.db2.gz QAQOAGMDXWTWCX-LBPRGKRZSA-N 2 1 384.318 2.319 20 0 GEADMP C[NH+](C)C[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000879052614 653656938 /nfs/dbraw/zinc/65/69/38/653656938.db2.gz ALRRPJQVBFUEMZ-KRWDZBQOSA-N 2 1 387.355 2.396 20 0 GEADMP Cn1nc(Br)cc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000785411904 653708869 /nfs/dbraw/zinc/70/88/69/653708869.db2.gz XOMJSFRZOBXQON-CQSZACIVSA-N 2 1 398.374 2.322 20 0 GEADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccnc2Br)cc1 ZINC000865471058 653766135 /nfs/dbraw/zinc/76/61/35/653766135.db2.gz JSMWHWACFVRTHH-UHFFFAOYSA-N 2 1 391.313 2.425 20 0 GEADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCCCCCC[NH3+])cc1Br ZINC000843051574 653778134 /nfs/dbraw/zinc/77/81/34/653778134.db2.gz GKZUUJJWSKOFOV-UHFFFAOYSA-N 2 1 399.333 2.085 20 0 GEADMP C[C@](O)(C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000843061690 653778241 /nfs/dbraw/zinc/77/82/41/653778241.db2.gz HFGSOBRVRZPHIR-YOEHRIQHSA-N 2 1 389.309 2.232 20 0 GEADMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)c(Br)c1 ZINC000843061740 653778378 /nfs/dbraw/zinc/77/83/78/653778378.db2.gz HSJYMRSWHVQPRE-MRXNPFEDSA-N 2 1 375.282 2.058 20 0 GEADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000843116112 653779990 /nfs/dbraw/zinc/77/99/90/653779990.db2.gz WDNRWDYHFPJRHK-CRAIPNDOSA-N 2 1 394.313 2.127 20 0 GEADMP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707705 653813242 /nfs/dbraw/zinc/81/32/42/653813242.db2.gz BHNNEHISUYWJKH-OJDYBEQGSA-N 2 1 380.286 2.377 20 0 GEADMP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707705 653813247 /nfs/dbraw/zinc/81/32/47/653813247.db2.gz BHNNEHISUYWJKH-OJDYBEQGSA-N 2 1 380.286 2.377 20 0 GEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)cc1Br ZINC000849107890 654004739 /nfs/dbraw/zinc/00/47/39/654004739.db2.gz FIAAJBIVESTGJL-AWEZNQCLSA-N 2 1 397.317 2.334 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]Cc2ccccc2I)CC1(C)C ZINC000799345627 654093100 /nfs/dbraw/zinc/09/31/00/654093100.db2.gz JLKYSQQOLXXRKU-UHFFFAOYSA-N 2 1 387.309 2.407 20 0 GEADMP C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717653 654281062 /nfs/dbraw/zinc/28/10/62/654281062.db2.gz CRMLEJHSCXAPIX-CQSZACIVSA-N 2 1 396.329 2.478 20 0 GEADMP C[N@H+](CC(=O)Nc1ccccc1Br)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717653 654281063 /nfs/dbraw/zinc/28/10/63/654281063.db2.gz CRMLEJHSCXAPIX-CQSZACIVSA-N 2 1 396.329 2.478 20 0 GEADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@H]3C[C@]3(C)Br)cc2)CC1 ZINC000892582806 654352731 /nfs/dbraw/zinc/35/27/31/654352731.db2.gz MXCACPZZJCGUHW-AEFFLSMTSA-N 2 1 380.330 2.337 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855345562 654414222 /nfs/dbraw/zinc/41/42/22/654414222.db2.gz CZHIJYGHYKNQKP-BLLLJJGKSA-N 2 1 376.328 2.415 20 0 GEADMP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210005 654422809 /nfs/dbraw/zinc/42/28/09/654422809.db2.gz UNNYNIJRHONDQF-KRWDZBQOSA-N 2 1 383.583 2.220 20 0 GEADMP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210005 654422813 /nfs/dbraw/zinc/42/28/13/654422813.db2.gz UNNYNIJRHONDQF-KRWDZBQOSA-N 2 1 383.583 2.220 20 0 GEADMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923283758 654441543 /nfs/dbraw/zinc/44/15/43/654441543.db2.gz YBAXXZURXYPODX-WFASDCNBSA-N 2 1 375.282 2.259 20 0 GEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923283758 654441544 /nfs/dbraw/zinc/44/15/44/654441544.db2.gz YBAXXZURXYPODX-WFASDCNBSA-N 2 1 375.282 2.259 20 0 GEADMP O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923331700 654444859 /nfs/dbraw/zinc/44/48/59/654444859.db2.gz NPXBAVHGIUWYAQ-OAHLLOKOSA-N 2 1 387.293 2.403 20 0 GEADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911842399 654734112 /nfs/dbraw/zinc/73/41/12/654734112.db2.gz VJGRHZSYKBMMKN-QGZVFWFLSA-N 2 1 396.329 2.448 20 0 GEADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])c1ccccc1I ZINC000911867023 654734546 /nfs/dbraw/zinc/73/45/46/654734546.db2.gz GEFDOLOLMBGTNM-KGLIPLIRSA-N 2 1 389.281 2.123 20 0 GEADMP C[NH+](C)CC1(O)CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000931487464 654743977 /nfs/dbraw/zinc/74/39/77/654743977.db2.gz BFRMHTWFQXRKTG-UHFFFAOYSA-N 2 1 385.302 2.109 20 0 GEADMP COC(=O)c1ccc(Cl)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164684658 719624413 /nfs/dbraw/zinc/62/44/13/719624413.db2.gz VWSNIRKQSYCZOL-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COC(=O)c1ccc(Cl)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164684658 719624420 /nfs/dbraw/zinc/62/44/20/719624420.db2.gz VWSNIRKQSYCZOL-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164721836 720406189 /nfs/dbraw/zinc/40/61/89/720406189.db2.gz BJJVSMGPUWHPPO-WOJBJXKFSA-N 2 1 378.524 2.082 20 0 GEADMP c1csc(C[N@@H+]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@H]3C2)n1 ZINC001164780857 721437852 /nfs/dbraw/zinc/43/78/52/721437852.db2.gz AQTJQYXDJHXABM-HDICACEKSA-N 2 1 399.564 2.485 20 0 GEADMP c1csc(C[N@H+]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@H]3C2)n1 ZINC001164780857 721437856 /nfs/dbraw/zinc/43/78/56/721437856.db2.gz AQTJQYXDJHXABM-HDICACEKSA-N 2 1 399.564 2.485 20 0 GEADMP FC1(F)CCN(c2ncnc3c2C[NH2+]C3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906010 721697290 /nfs/dbraw/zinc/69/72/90/721697290.db2.gz KVZWSCPSUWNECH-LJQANCHMSA-N 2 1 386.450 2.213 20 0 GEADMP FC1(F)CCN(c2ncnc3c2C[NH2+]C3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906010 721697291 /nfs/dbraw/zinc/69/72/91/721697291.db2.gz KVZWSCPSUWNECH-LJQANCHMSA-N 2 1 386.450 2.213 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CC[NH2+]CC4)C[C@H]21 ZINC001165026899 721799914 /nfs/dbraw/zinc/79/99/14/721799914.db2.gz SCSBRVNTOLZMPE-UCNVEGJOSA-N 2 1 392.551 2.297 20 0 GEADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975476 722098820 /nfs/dbraw/zinc/09/88/20/722098820.db2.gz BWJQKXYYBDTYSP-WOJBJXKFSA-N 2 1 396.539 2.363 20 0 GEADMP Cc1[nH]c2nc[nH+]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1C ZINC001165002167 722253870 /nfs/dbraw/zinc/25/38/70/722253870.db2.gz KKTUNUFJOXKBJR-UHFFFAOYSA-N 2 1 383.500 2.260 20 0 GEADMP O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178955270 532218448 /nfs/dbraw/zinc/21/84/48/532218448.db2.gz BYVASDQGUYQVAN-UHFFFAOYSA-N 2 1 392.352 2.299 20 0 GEADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000647522879 532374442 /nfs/dbraw/zinc/37/44/42/532374442.db2.gz PYEHBULBFJHWLY-CVEARBPZSA-N 2 1 391.339 2.416 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429451874 532476787 /nfs/dbraw/zinc/47/67/87/532476787.db2.gz MUTFVHUOUCMMQQ-INIZCTEOSA-N 2 1 385.346 2.301 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000429415177 532474456 /nfs/dbraw/zinc/47/44/56/532474456.db2.gz HMXLUIBXJQXFHW-HNNXBMFYSA-N 2 1 385.346 2.301 20 0 GEADMP Cc1cc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)sc1Br ZINC000469993543 532518144 /nfs/dbraw/zinc/51/81/44/532518144.db2.gz TXKZOQAZRIVMLY-CYBMUJFWSA-N 2 1 386.359 2.463 20 0 GEADMP O[C@@H](C[NH2+][C@@H]1CCc2ccc(I)cc21)C[NH+]1CCCC1 ZINC000595017261 532540486 /nfs/dbraw/zinc/54/04/86/532540486.db2.gz LEQIQYYEXUQDSW-GOEBONIOSA-N 2 1 386.277 2.325 20 0 GEADMP CC[N@H+]1CC[C@H](CNCc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000296582457 532528549 /nfs/dbraw/zinc/52/85/49/532528549.db2.gz WXIWQSSWPMTGEH-ZIAGYGMSSA-N 2 1 398.345 2.394 20 0 GEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000296582457 532528554 /nfs/dbraw/zinc/52/85/54/532528554.db2.gz WXIWQSSWPMTGEH-ZIAGYGMSSA-N 2 1 398.345 2.394 20 0 GEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000296582457 532528560 /nfs/dbraw/zinc/52/85/60/532528560.db2.gz WXIWQSSWPMTGEH-ZIAGYGMSSA-N 2 1 398.345 2.394 20 0 GEADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632158690 532583854 /nfs/dbraw/zinc/58/38/54/532583854.db2.gz DYMAZMXLOXZVPV-WMLDXEAASA-N 2 1 391.940 2.343 20 0 GEADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632158690 532583859 /nfs/dbraw/zinc/58/38/59/532583859.db2.gz DYMAZMXLOXZVPV-WMLDXEAASA-N 2 1 391.940 2.343 20 0 GEADMP CCOc1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(Br)c1OC ZINC000262082838 532584661 /nfs/dbraw/zinc/58/46/61/532584661.db2.gz FNKYTTWCUILGLR-OAHLLOKOSA-N 2 1 398.345 2.336 20 0 GEADMP CCOc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(Br)c1OC ZINC000262082838 532584663 /nfs/dbraw/zinc/58/46/63/532584663.db2.gz FNKYTTWCUILGLR-OAHLLOKOSA-N 2 1 398.345 2.336 20 0 GEADMP Brc1ccc(-c2c[nH]c(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000262181484 532587449 /nfs/dbraw/zinc/58/74/49/532587449.db2.gz WWMYRRJJAVOKQC-MRXNPFEDSA-N 2 1 390.329 2.319 20 0 GEADMP Brc1ccc(-c2c[nH]c(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000262181484 532587454 /nfs/dbraw/zinc/58/74/54/532587454.db2.gz WWMYRRJJAVOKQC-MRXNPFEDSA-N 2 1 390.329 2.319 20 0 GEADMP C[N@@H+](CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCSC1 ZINC000473520361 532592601 /nfs/dbraw/zinc/59/26/01/532592601.db2.gz PCAOHPVXYKRSNQ-SHARSMKWSA-N 2 1 379.492 2.345 20 0 GEADMP COc1cc(C[NH+]2CCC(C[NH3+])CC2)cc(I)c1OC ZINC000435397377 532615000 /nfs/dbraw/zinc/61/50/00/532615000.db2.gz GILLHYCMXQOTKK-UHFFFAOYSA-N 2 1 390.265 2.479 20 0 GEADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000566732556 532626329 /nfs/dbraw/zinc/62/63/29/532626329.db2.gz BTTQJSNYDCIFSQ-KBXCAEBGSA-N 2 1 382.346 2.320 20 0 GEADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000566732556 532626336 /nfs/dbraw/zinc/62/63/36/532626336.db2.gz BTTQJSNYDCIFSQ-KBXCAEBGSA-N 2 1 382.346 2.320 20 0 GEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000638131304 532681107 /nfs/dbraw/zinc/68/11/07/532681107.db2.gz ARYAZLZVAZAYDH-MRXNPFEDSA-N 2 1 396.333 2.425 20 0 GEADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000267143651 532734015 /nfs/dbraw/zinc/73/40/15/532734015.db2.gz JGGWGCUZQWQLOA-UHFFFAOYSA-N 2 1 386.309 2.478 20 0 GEADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)COc1c(Cl)cccc1Cl ZINC000582606050 532760829 /nfs/dbraw/zinc/76/08/29/532760829.db2.gz GQVYIDCQAGGUDB-ZIAGYGMSSA-N 2 1 377.312 2.170 20 0 GEADMP Cc1cc(Br)cc2c1C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000414753608 532834953 /nfs/dbraw/zinc/83/49/53/532834953.db2.gz DYZHSBBCMUXIQW-AWEZNQCLSA-N 2 1 380.330 2.313 20 0 GEADMP Brc1ccc2ncc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)n2c1 ZINC000415055875 532837403 /nfs/dbraw/zinc/83/74/03/532837403.db2.gz PDPZJMSRHSECTC-UHFFFAOYSA-N 2 1 392.345 2.403 20 0 GEADMP Brc1cc2c(cc1C[NH2+]C1CCC([NH+]3CCNCC3)CC1)OCO2 ZINC000415053778 532837465 /nfs/dbraw/zinc/83/74/65/532837465.db2.gz MVRGEMAZNZKKJC-UHFFFAOYSA-N 2 1 396.329 2.484 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000415097193 532837927 /nfs/dbraw/zinc/83/79/27/532837927.db2.gz SBZRVZNLEXYAGH-BBRMVZONSA-N 2 1 381.318 2.178 20 0 GEADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736759832 599135424 /nfs/dbraw/zinc/13/54/24/599135424.db2.gz XBFPSRPFNHGOAT-UHFFFAOYSA-N 2 1 391.907 2.122 20 0 GEADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736231790 599135912 /nfs/dbraw/zinc/13/59/12/599135912.db2.gz XTAUFILVROBSLC-TZMCWYRMSA-N 2 1 391.907 2.263 20 0 GEADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@H+]1C ZINC000736231790 599135913 /nfs/dbraw/zinc/13/59/13/599135913.db2.gz XTAUFILVROBSLC-TZMCWYRMSA-N 2 1 391.907 2.263 20 0 GEADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[NH+]1C ZINC000736231790 599135916 /nfs/dbraw/zinc/13/59/16/599135916.db2.gz XTAUFILVROBSLC-TZMCWYRMSA-N 2 1 391.907 2.263 20 0 GEADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[NH+]1C ZINC000736231790 599135917 /nfs/dbraw/zinc/13/59/17/599135917.db2.gz XTAUFILVROBSLC-TZMCWYRMSA-N 2 1 391.907 2.263 20 0 GEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000821378147 599439068 /nfs/dbraw/zinc/43/90/68/599439068.db2.gz JWYIBTYCTSAQSW-CRAIPNDOSA-N 2 1 388.516 2.102 20 0 GEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000822373835 606859713 /nfs/dbraw/zinc/85/97/13/606859713.db2.gz DJVYONYHYGMUDW-MAUKXSAKSA-N 2 1 379.468 2.038 20 0 GEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000822373835 606859714 /nfs/dbraw/zinc/85/97/14/606859714.db2.gz DJVYONYHYGMUDW-MAUKXSAKSA-N 2 1 379.468 2.038 20 0 GEADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623860 607172015 /nfs/dbraw/zinc/17/20/15/607172015.db2.gz UQDIIKHRSXALPU-MJGOQNOKSA-N 2 1 378.484 2.104 20 0 GEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623860 607172016 /nfs/dbraw/zinc/17/20/16/607172016.db2.gz UQDIIKHRSXALPU-MJGOQNOKSA-N 2 1 378.484 2.104 20 0 GEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623860 607172017 /nfs/dbraw/zinc/17/20/17/607172017.db2.gz UQDIIKHRSXALPU-MJGOQNOKSA-N 2 1 378.484 2.104 20 0 GEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623860 607172018 /nfs/dbraw/zinc/17/20/18/607172018.db2.gz UQDIIKHRSXALPU-MJGOQNOKSA-N 2 1 378.484 2.104 20 0 GEADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000825961954 608688378 /nfs/dbraw/zinc/68/83/78/608688378.db2.gz PQKBKRMDTQVDSR-LJQANCHMSA-N 2 1 396.495 2.337 20 0 GEADMP C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000825961954 608688380 /nfs/dbraw/zinc/68/83/80/608688380.db2.gz PQKBKRMDTQVDSR-LJQANCHMSA-N 2 1 396.495 2.337 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449127177 650032337 /nfs/dbraw/zinc/03/23/37/650032337.db2.gz OEERAHAOTKHCSG-OAHLLOKOSA-N 2 1 384.293 2.329 20 0 GEADMP [NH3+]CC(F)(F)CC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000516486742 650597447 /nfs/dbraw/zinc/59/74/47/650597447.db2.gz DSZKIOLYZFZUGO-UHFFFAOYSA-N 2 1 375.847 2.284 20 0 GEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000518413124 650604980 /nfs/dbraw/zinc/60/49/80/650604980.db2.gz VGLSKRSDAOMKIH-WCQYABFASA-N 2 1 380.341 2.202 20 0 GEADMP C[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)[N@@H+]1CCc2sccc2C1 ZINC000481290013 650643889 /nfs/dbraw/zinc/64/38/89/650643889.db2.gz JBHRXOIRRNZFNT-KSSFIOAISA-N 2 1 382.599 2.231 20 0 GEADMP C[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)[N@H+]1CCc2sccc2C1 ZINC000481290013 650643892 /nfs/dbraw/zinc/64/38/92/650643892.db2.gz JBHRXOIRRNZFNT-KSSFIOAISA-N 2 1 382.599 2.231 20 0 GEADMP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cn1 ZINC000482968106 650671942 /nfs/dbraw/zinc/67/19/42/650671942.db2.gz YOPCQXUOIHFMSI-LBPRGKRZSA-N 2 1 381.318 2.238 20 0 GEADMP CS[C@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000490860080 650780893 /nfs/dbraw/zinc/78/08/93/650780893.db2.gz QNHFOFORFUKHQY-SYQHCUMBSA-N 2 1 381.508 2.399 20 0 GEADMP C[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)C1CCC([NH3+])CC1 ZINC000098002022 643099364 /nfs/dbraw/zinc/09/93/64/643099364.db2.gz GOIRJUNVTWOJJQ-UHFFFAOYSA-N 2 1 375.332 2.425 20 0 GEADMP C[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)C1CCC([NH3+])CC1 ZINC000098002022 643099368 /nfs/dbraw/zinc/09/93/68/643099368.db2.gz GOIRJUNVTWOJJQ-UHFFFAOYSA-N 2 1 375.332 2.425 20 0 GEADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000180573757 644508845 /nfs/dbraw/zinc/50/88/45/644508845.db2.gz ZJABCTAVTKXSMO-UHFFFAOYSA-N 2 1 386.309 2.478 20 0 GEADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261854586 645605827 /nfs/dbraw/zinc/60/58/27/645605827.db2.gz JUDVZEBXEQRXMH-QRTARXTBSA-N 2 1 380.330 2.467 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000268839303 645999320 /nfs/dbraw/zinc/99/93/20/645999320.db2.gz FBWOWFZRNXOXRL-OAHLLOKOSA-N 2 1 382.302 2.026 20 0 GEADMP C[N@H+](C[C@H](O)CC(F)(F)F)[C@H]1CCC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000364890807 647647701 /nfs/dbraw/zinc/64/77/01/647647701.db2.gz BNFGUFCPOPSBNK-YNEHKIRRSA-N 2 1 380.373 2.399 20 0 GEADMP C[N@@H+](C[C@H](O)CC(F)(F)F)[C@H]1CCC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000364890807 647647707 /nfs/dbraw/zinc/64/77/07/647647707.db2.gz BNFGUFCPOPSBNK-YNEHKIRRSA-N 2 1 380.373 2.399 20 0 GEADMP C[NH+](C[C@H](O)CC(F)(F)F)[C@H]1CCC[N@H+](C[C@H](O)CC(F)(F)F)CC1 ZINC000364890807 647647709 /nfs/dbraw/zinc/64/77/09/647647709.db2.gz BNFGUFCPOPSBNK-YNEHKIRRSA-N 2 1 380.373 2.399 20 0 GEADMP C[NH+](C[C@H](O)CC(F)(F)F)[C@H]1CCC[N@@H+](C[C@H](O)CC(F)(F)F)CC1 ZINC000364890807 647647711 /nfs/dbraw/zinc/64/77/11/647647711.db2.gz BNFGUFCPOPSBNK-YNEHKIRRSA-N 2 1 380.373 2.399 20 0 GEADMP C[C@@H](CC[NH3+])NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417899034 648265659 /nfs/dbraw/zinc/26/56/59/648265659.db2.gz ZVHIWMZRPKQKCY-ZDUSSCGKSA-N 2 1 383.334 2.450 20 0 GEADMP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422907238 648576846 /nfs/dbraw/zinc/57/68/46/648576846.db2.gz LEJJFTZWNVETHZ-WBMJQRKESA-N 2 1 384.318 2.165 20 0 GEADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[C@@H]1CCC[NH2+]C1 ZINC000423221875 648587872 /nfs/dbraw/zinc/58/78/72/648587872.db2.gz YNLMIBHGQSTIOQ-DMDPSCGWSA-N 2 1 390.347 2.135 20 0 GEADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022490 648743403 /nfs/dbraw/zinc/74/34/03/648743403.db2.gz SLJVWSHGAAKZPE-WBVHZDCISA-N 2 1 387.293 2.356 20 0 GEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022490 648743410 /nfs/dbraw/zinc/74/34/10/648743410.db2.gz SLJVWSHGAAKZPE-WBVHZDCISA-N 2 1 387.293 2.356 20 0 GEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022490 648743421 /nfs/dbraw/zinc/74/34/21/648743421.db2.gz SLJVWSHGAAKZPE-WBVHZDCISA-N 2 1 387.293 2.356 20 0 GEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022490 648743428 /nfs/dbraw/zinc/74/34/28/648743428.db2.gz SLJVWSHGAAKZPE-WBVHZDCISA-N 2 1 387.293 2.356 20 0 GEADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000443064906 648858731 /nfs/dbraw/zinc/85/87/31/648858731.db2.gz ZAGWKZWPZRAKTE-GFCCVEGCSA-N 2 1 387.265 2.291 20 0 GEADMP C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000552089838 651140006 /nfs/dbraw/zinc/14/00/06/651140006.db2.gz XCUGAPOOFRVDIV-RYUDHWBXSA-N 2 1 380.341 2.344 20 0 GEADMP C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000552089838 651140008 /nfs/dbraw/zinc/14/00/08/651140008.db2.gz XCUGAPOOFRVDIV-RYUDHWBXSA-N 2 1 380.341 2.344 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@H]2CCC[C@@H]21 ZINC000552266374 651145355 /nfs/dbraw/zinc/14/53/55/651145355.db2.gz JJBDCYLKOKXNML-KBMXLJTQSA-N 2 1 389.924 2.220 20 0 GEADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000555537732 651228181 /nfs/dbraw/zinc/22/81/81/651228181.db2.gz VCKIGELBDUFSDL-CVEARBPZSA-N 2 1 394.357 2.483 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@@H]2CCC[C@@H]21 ZINC000556913843 651256955 /nfs/dbraw/zinc/25/69/55/651256955.db2.gz WNBNYZOAQJJQMN-QAETUUGQSA-N 2 1 383.583 2.221 20 0 GEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cccc(I)c1 ZINC000603435288 651492062 /nfs/dbraw/zinc/49/20/62/651492062.db2.gz XISLDMNNRBFKFQ-TVYUQYBPSA-N 2 1 387.265 2.334 20 0 GEADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)C1 ZINC000734487201 651746360 /nfs/dbraw/zinc/74/63/60/651746360.db2.gz MYQKZBLOEHLLPW-ZWKOTPCHSA-N 2 1 382.346 2.194 20 0 GEADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)C1 ZINC000734487201 651746361 /nfs/dbraw/zinc/74/63/61/651746361.db2.gz MYQKZBLOEHLLPW-ZWKOTPCHSA-N 2 1 382.346 2.194 20 0 GEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Br)cn2)C1 ZINC000652362471 651916791 /nfs/dbraw/zinc/91/67/91/651916791.db2.gz IAMYPTWSVMCWRB-QLFBSQMISA-N 2 1 397.317 2.143 20 0 GEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Br)cn2)C1 ZINC000652362471 651916798 /nfs/dbraw/zinc/91/67/98/651916798.db2.gz IAMYPTWSVMCWRB-QLFBSQMISA-N 2 1 397.317 2.143 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(Br)c(C)nn1C ZINC000574002481 651994340 /nfs/dbraw/zinc/99/43/40/651994340.db2.gz HJKADIRQHUQNMK-HNNXBMFYSA-N 2 1 386.382 2.339 20 0 GEADMP OC[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccc(Br)cc1 ZINC000655758795 652010704 /nfs/dbraw/zinc/01/07/04/652010704.db2.gz CZZYNBHSTXKKHY-VQIMIIECSA-N 2 1 397.357 2.443 20 0 GEADMP O=C(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Br)cc1 ZINC000576934988 652155818 /nfs/dbraw/zinc/15/58/18/652155818.db2.gz ZGRFLIVOOJFJBF-OWCLPIDISA-N 2 1 382.302 2.134 20 0 GEADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000577178082 652168294 /nfs/dbraw/zinc/16/82/94/652168294.db2.gz FQHPCXIJYUHCQY-CVEARBPZSA-N 2 1 391.339 2.416 20 0 GEADMP CCS(=O)(=O)C1(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CC1 ZINC000657759927 652202285 /nfs/dbraw/zinc/20/22/85/652202285.db2.gz YZWIGNZSBNXEHM-UHFFFAOYSA-N 2 1 385.961 2.149 20 0 GEADMP C[NH+](C)CCn1ccc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)n1 ZINC000659285357 652352716 /nfs/dbraw/zinc/35/27/16/652352716.db2.gz MMYRXANTMGISAW-UHFFFAOYSA-N 2 1 384.303 2.124 20 0 GEADMP CN(CCC[N@@H+](C)Cc1cc2c(c(Br)c1)OCO2)CC[NH+](C)C ZINC000579820362 652355837 /nfs/dbraw/zinc/35/58/37/652355837.db2.gz CFXXXBCFXUIZQC-UHFFFAOYSA-N 2 1 386.334 2.493 20 0 GEADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000580166917 652368374 /nfs/dbraw/zinc/36/83/74/652368374.db2.gz WXCOLUXTEVQTQJ-OAHLLOKOSA-N 2 1 380.330 2.481 20 0 GEADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000580166917 652368377 /nfs/dbraw/zinc/36/83/77/652368377.db2.gz WXCOLUXTEVQTQJ-OAHLLOKOSA-N 2 1 380.330 2.481 20 0 GEADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cn1 ZINC000662295139 652455138 /nfs/dbraw/zinc/45/51/38/652455138.db2.gz TVZNJHJQGNOAMX-CQSZACIVSA-N 2 1 381.318 2.494 20 0 GEADMP [NH3+][C@@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccccc1Br ZINC000662764530 652473582 /nfs/dbraw/zinc/47/35/82/652473582.db2.gz QKOAFUYDVPFJLD-BDJLRTHQSA-N 2 1 375.270 2.299 20 0 GEADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000662796131 652474659 /nfs/dbraw/zinc/47/46/59/652474659.db2.gz IPRLOMHERLJBKV-IAGOWNOFSA-N 2 1 386.323 2.438 20 0 GEADMP O=C(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Nc1cccc(Br)c1 ZINC000584834048 652531299 /nfs/dbraw/zinc/53/12/99/652531299.db2.gz OCSLJNCPTCFFOO-BZUAXINKSA-N 2 1 382.302 2.134 20 0 GEADMP CC(C)[C@H]([NH3+])CCNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595980366 652745630 /nfs/dbraw/zinc/74/56/30/652745630.db2.gz GUAXUZIAFADOSQ-SECBINFHSA-N 2 1 393.294 2.059 20 0 GEADMP COc1nsc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1Br ZINC000638350896 652886974 /nfs/dbraw/zinc/88/69/74/652886974.db2.gz ADRIQHMKGBPPRL-GFCCVEGCSA-N 2 1 391.379 2.276 20 0 GEADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cc(F)cc(Br)c3)nn2)CC1 ZINC000641124350 653159860 /nfs/dbraw/zinc/15/98/60/653159860.db2.gz ZZZRYSUTQYDLEK-UHFFFAOYSA-N 2 1 382.281 2.194 20 0 GEADMP C[C@@H]([NH3+])CN(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000861613163 653662391 /nfs/dbraw/zinc/66/23/91/653662391.db2.gz XPARLDLGETXQIR-CYBMUJFWSA-N 2 1 383.334 2.402 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](COC)c2cccc(Br)c2)CC1 ZINC000879661815 653677562 /nfs/dbraw/zinc/67/75/62/653677562.db2.gz JKHBXNFOUWHXAZ-KRWDZBQOSA-N 2 1 398.345 2.327 20 0 GEADMP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1nc(Br)cs1 ZINC000817972700 653723098 /nfs/dbraw/zinc/72/30/98/653723098.db2.gz NUTFQAZWTWPSTK-IUCAKERBSA-N 2 1 387.269 2.392 20 0 GEADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000819044020 653741468 /nfs/dbraw/zinc/74/14/68/653741468.db2.gz XRJARDLHDFVZJM-QGZVFWFLSA-N 2 1 398.345 2.015 20 0 GEADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(Br)c1 ZINC000843061276 653778230 /nfs/dbraw/zinc/77/82/30/653778230.db2.gz DJVUIUDAOKKBEZ-BBRMVZONSA-N 2 1 375.282 2.058 20 0 GEADMP Cc1c(Br)cccc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711550 653813904 /nfs/dbraw/zinc/81/39/04/653813904.db2.gz MELQGAZCSOKAHG-IMJJTQAJSA-N 2 1 380.286 2.124 20 0 GEADMP Cc1c(Br)cccc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711550 653813909 /nfs/dbraw/zinc/81/39/09/653813909.db2.gz MELQGAZCSOKAHG-IMJJTQAJSA-N 2 1 380.286 2.124 20 0 GEADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c[nH]nc3Br)CC2)CC1 ZINC000898476486 653972125 /nfs/dbraw/zinc/97/21/25/653972125.db2.gz JHOWBRJIJPVTHU-UHFFFAOYSA-N 2 1 384.322 2.307 20 0 GEADMP Brc1cnc2n1C[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000898720305 653982035 /nfs/dbraw/zinc/98/20/35/653982035.db2.gz LWMHRWDZHGEKBU-CABCVRRESA-N 2 1 383.334 2.193 20 0 GEADMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1cccc(Br)c1 ZINC000849092940 654003915 /nfs/dbraw/zinc/00/39/15/654003915.db2.gz CCLOEIJPQCETGN-CQSZACIVSA-N 2 1 399.333 2.053 20 0 GEADMP [NH3+][C@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1cccc(Br)c1 ZINC000870882143 654202540 /nfs/dbraw/zinc/20/25/40/654202540.db2.gz JQTNSLCAOGGMED-INIZCTEOSA-N 2 1 396.329 2.210 20 0 GEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000903442643 654239394 /nfs/dbraw/zinc/23/93/94/654239394.db2.gz VVEXMGHFVNDMAO-MCIONIFRSA-N 2 1 381.318 2.350 20 0 GEADMP CCS(=O)(=O)c1ccc(N2CCC([NH2+]C[C@@H]([NH3+])CC(F)F)CC2)cc1 ZINC000903923535 654292066 /nfs/dbraw/zinc/29/20/66/654292066.db2.gz WLJDAFPXYZOAID-ZDUSSCGKSA-N 2 1 375.485 2.021 20 0 GEADMP Cc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Br)c1 ZINC000872254588 654320027 /nfs/dbraw/zinc/32/00/27/654320027.db2.gz AIWJQLRKLXCMNX-BMFZPTHFSA-N 2 1 380.286 2.124 20 0 GEADMP Cc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Br)c1 ZINC000872254588 654320031 /nfs/dbraw/zinc/32/00/31/654320031.db2.gz AIWJQLRKLXCMNX-BMFZPTHFSA-N 2 1 380.286 2.124 20 0 GEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923348815 654445873 /nfs/dbraw/zinc/44/58/73/654445873.db2.gz LHPLKLQFKOAFMI-SWLSCSKDSA-N 2 1 375.282 2.389 20 0 GEADMP COC(=O)c1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c(Br)c1 ZINC000894378967 654471323 /nfs/dbraw/zinc/47/13/23/654471323.db2.gz ZPNHEDPVXUDTAG-UHFFFAOYSA-N 2 1 398.345 2.353 20 0 GEADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925175224 654536458 /nfs/dbraw/zinc/53/64/58/654536458.db2.gz UGFNXBSGYKCBKR-SJORKVTESA-N 2 1 382.599 2.401 20 0 GEADMP OC[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)Cc1cc(Br)ccc1F ZINC000925688826 654547988 /nfs/dbraw/zinc/54/79/88/654547988.db2.gz QJAYCZJOIGGBTE-HQQOITTOSA-N 2 1 383.305 2.325 20 0 GEADMP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925688887 654547994 /nfs/dbraw/zinc/54/79/94/654547994.db2.gz RHMUZTUEJWTXNQ-CXAGYDPISA-N 2 1 383.330 2.483 20 0 GEADMP OC[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)Cc1ccc(F)c(Br)c1 ZINC000925690374 654548113 /nfs/dbraw/zinc/54/81/13/654548113.db2.gz VDLNFHVUWMXUDP-AWQRTQIDSA-N 2 1 383.305 2.325 20 0 GEADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(CC[S@](=O)C(F)(F)F)C2)ccn1 ZINC000931094214 654729349 /nfs/dbraw/zinc/72/93/49/654729349.db2.gz OZIDYOJRRZPINO-BZQUYTCOSA-N 2 1 379.448 2.255 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000932208287 654770148 /nfs/dbraw/zinc/77/01/48/654770148.db2.gz AWIQRQUIUJMYQK-OAHLLOKOSA-N 2 1 382.302 2.026 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000932211983 654770639 /nfs/dbraw/zinc/77/06/39/654770639.db2.gz KOIZECNQDZJTQR-MRXNPFEDSA-N 2 1 396.329 2.463 20 0 GEADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)n1 ZINC001164410071 718853351 /nfs/dbraw/zinc/85/33/51/718853351.db2.gz YNYWAHWCSUIEOG-YWZLYKJASA-N 2 1 389.569 2.168 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c2SCC3)c2c1CC[NH2+]C2 ZINC001164682390 719616276 /nfs/dbraw/zinc/61/62/76/719616276.db2.gz CTHXVCKCKPVOKL-UHFFFAOYSA-N 2 1 378.933 2.450 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c2SCC3)c2c1CC[NH2+]C2 ZINC001164682390 719616284 /nfs/dbraw/zinc/61/62/84/719616284.db2.gz CTHXVCKCKPVOKL-UHFFFAOYSA-N 2 1 378.933 2.450 20 0 GEADMP Cc1c[nH]c2nc[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164821218 720286292 /nfs/dbraw/zinc/28/62/92/720286292.db2.gz ZERXBMMCRBLXMY-SJORKVTESA-N 2 1 382.512 2.178 20 0 GEADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164842779 720701397 /nfs/dbraw/zinc/70/13/97/720701397.db2.gz NEJGUGBRSPFAIJ-FQEVSTJZSA-N 2 1 393.535 2.382 20 0 GEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)C[C@@H]3C2)cn1 ZINC001164773912 721194870 /nfs/dbraw/zinc/19/48/70/721194870.db2.gz YHEZWUDWZQAAKK-RTWAWAEBSA-N 2 1 380.540 2.369 20 0 GEADMP Clc1cc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164785470 721423125 /nfs/dbraw/zinc/42/31/25/721423125.db2.gz MQLBIAGLCZDESI-STQMWFEESA-N 2 1 375.929 2.405 20 0 GEADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164909315 721546350 /nfs/dbraw/zinc/54/63/50/721546350.db2.gz RIOXMBCZFGUZGZ-QUCCMNQESA-N 2 1 397.498 2.425 20 0 GEADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@@H+]3C2)c1 ZINC001164909268 721547163 /nfs/dbraw/zinc/54/71/63/721547163.db2.gz RCVZSPZWZPBMLD-AZUAARDMSA-N 2 1 398.482 2.399 20 0 GEADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@H+]3C2)c1 ZINC001164909268 721547164 /nfs/dbraw/zinc/54/71/64/721547164.db2.gz RCVZSPZWZPBMLD-AZUAARDMSA-N 2 1 398.482 2.399 20 0 GEADMP CSCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000168950541 531881244 /nfs/dbraw/zinc/88/12/44/531881244.db2.gz BCUJMCLJQBWRCE-GJZGRUSLSA-N 2 1 375.460 2.476 20 0 GEADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000170914594 531893563 /nfs/dbraw/zinc/89/35/63/531893563.db2.gz CUCOJHGFERMBND-UHFFFAOYSA-N 2 1 386.309 2.478 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](CO)c2cccc(Br)c2)CC1 ZINC000125715152 532141406 /nfs/dbraw/zinc/14/14/06/532141406.db2.gz BJIKNGTWLZJXOS-QGZVFWFLSA-N 2 1 398.345 2.015 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)CC1 ZINC000125715152 532141411 /nfs/dbraw/zinc/14/14/11/532141411.db2.gz BJIKNGTWLZJXOS-QGZVFWFLSA-N 2 1 398.345 2.015 20 0 GEADMP COc1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(Br)c1 ZINC000181686433 532304975 /nfs/dbraw/zinc/30/49/75/532304975.db2.gz CRZJXAGMHFNRQC-ZDUSSCGKSA-N 2 1 384.318 2.272 20 0 GEADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000516959635 532399057 /nfs/dbraw/zinc/39/90/57/532399057.db2.gz FFRUAUCNDSOEPZ-HALDLXJZSA-N 2 1 383.323 2.475 20 0 GEADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c2cccs2)CC1 ZINC000562736768 532480034 /nfs/dbraw/zinc/48/00/34/532480034.db2.gz DXUVUWBCXPWLPR-HNNXBMFYSA-N 2 1 399.607 2.291 20 0 GEADMP Cc1c([C@@H](C)[NH2+]CCOCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000629538616 532495199 /nfs/dbraw/zinc/49/51/99/532495199.db2.gz MRPSETGGRNVCLN-GFCCVEGCSA-N 2 1 382.306 2.354 20 0 GEADMP Brc1ccccc1-n1nnnc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431036688 532504215 /nfs/dbraw/zinc/50/42/15/532504215.db2.gz XGVGBVMUOVOCJE-UHFFFAOYSA-N 2 1 377.290 2.000 20 0 GEADMP O=C([C@@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1)N1CC[NH2+]CC1 ZINC000470010161 532517540 /nfs/dbraw/zinc/51/75/40/532517540.db2.gz UVBNBNMALYGYGN-CQSZACIVSA-N 2 1 384.293 2.232 20 0 GEADMP CC[N@H+](CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)CCC(F)(F)F ZINC000433341275 532563343 /nfs/dbraw/zinc/56/33/43/532563343.db2.gz HQIDUJBPKMPBHA-UHFFFAOYSA-N 2 1 381.464 2.301 20 0 GEADMP CC[N@@H+](CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)CCC(F)(F)F ZINC000433341275 532563350 /nfs/dbraw/zinc/56/33/50/532563350.db2.gz HQIDUJBPKMPBHA-UHFFFAOYSA-N 2 1 381.464 2.301 20 0 GEADMP C[N@@H+](CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCSC1 ZINC000473520369 532592219 /nfs/dbraw/zinc/59/22/19/532592219.db2.gz PCAOHPVXYKRSNQ-SLTAFYQDSA-N 2 1 379.492 2.345 20 0 GEADMP CC(C)[NH2+]CCCNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595923783 532577057 /nfs/dbraw/zinc/57/70/57/532577057.db2.gz BXAGWPMCGDXKAE-UHFFFAOYSA-N 2 1 393.294 2.074 20 0 GEADMP C[C@]1(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CC[NH2+]C1 ZINC000261742076 532578312 /nfs/dbraw/zinc/57/83/12/532578312.db2.gz IOLCHRFKPXCDTK-GUYCJALGSA-N 2 1 381.318 2.494 20 0 GEADMP C[NH+]1CCN(c2ncc(C[NH2+]CCc3cccc(Br)c3)cn2)CC1 ZINC000297612739 532598961 /nfs/dbraw/zinc/59/89/61/532598961.db2.gz VEYPLKNFLGYAFN-UHFFFAOYSA-N 2 1 390.329 2.323 20 0 GEADMP C[NH+](C)CCCS(=O)(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000632612034 532631519 /nfs/dbraw/zinc/63/15/19/532631519.db2.gz ABINKFGAEVREGL-OAHLLOKOSA-N 2 1 381.464 2.179 20 0 GEADMP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000474929548 532632598 /nfs/dbraw/zinc/63/25/98/532632598.db2.gz UIGNBOSBAQGHCP-XJKSGUPXSA-N 2 1 388.293 2.269 20 0 GEADMP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000474929548 532632602 /nfs/dbraw/zinc/63/26/02/532632602.db2.gz UIGNBOSBAQGHCP-XJKSGUPXSA-N 2 1 388.293 2.269 20 0 GEADMP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000474929547 532633045 /nfs/dbraw/zinc/63/30/45/532633045.db2.gz UIGNBOSBAQGHCP-CZUORRHYSA-N 2 1 388.293 2.269 20 0 GEADMP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000474929547 532633054 /nfs/dbraw/zinc/63/30/54/532633054.db2.gz UIGNBOSBAQGHCP-CZUORRHYSA-N 2 1 388.293 2.269 20 0 GEADMP [NH3+][C@H](C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1Br ZINC000638785583 532687293 /nfs/dbraw/zinc/68/72/93/532687293.db2.gz DHDSVPQUTBVVON-PBHICJAKSA-N 2 1 396.329 2.066 20 0 GEADMP CCC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CC[NH2+]CC1 ZINC000319996259 532786543 /nfs/dbraw/zinc/78/65/43/532786543.db2.gz YXGAXWRVMVMSFZ-UHFFFAOYSA-N 2 1 379.302 2.421 20 0 GEADMP CCC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CC[NH2+]CC1 ZINC000319996259 532786546 /nfs/dbraw/zinc/78/65/46/532786546.db2.gz YXGAXWRVMVMSFZ-UHFFFAOYSA-N 2 1 379.302 2.421 20 0 GEADMP CN(CC[N@@H+](C)C[C@@H](O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000271601643 532809697 /nfs/dbraw/zinc/80/96/97/532809697.db2.gz AUFJSQSKCXPTGI-GOSISDBHSA-N 2 1 384.362 2.440 20 0 GEADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000414744060 532834504 /nfs/dbraw/zinc/83/45/04/532834504.db2.gz JGKAQXFREZJKGF-LIXBPZJASA-N 2 1 386.323 2.081 20 0 GEADMP CC[N@@H+](CCOc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414743623 532834935 /nfs/dbraw/zinc/83/49/35/532834935.db2.gz NLOZMLCNYUNYLA-HNNXBMFYSA-N 2 1 398.345 2.347 20 0 GEADMP CCOc1c(Br)cc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1Br ZINC000415048590 532837187 /nfs/dbraw/zinc/83/71/87/532837187.db2.gz CMKRUUNTYGMDDA-JTQLQIEISA-N 2 1 396.123 2.362 20 0 GEADMP CCOc1c(Br)cc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1Br ZINC000415048590 532837183 /nfs/dbraw/zinc/83/71/83/532837183.db2.gz CMKRUUNTYGMDDA-JTQLQIEISA-N 2 1 396.123 2.362 20 0 GEADMP O=C1N[C@H]2C[N@H+](Cc3ccccc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415144136 532838419 /nfs/dbraw/zinc/83/84/19/532838419.db2.gz UOBUDACHEFPNOR-DLBZAZTESA-N 2 1 393.329 2.169 20 0 GEADMP O=C1N[C@H]2C[N@@H+](Cc3ccccc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415144136 532838421 /nfs/dbraw/zinc/83/84/21/532838421.db2.gz UOBUDACHEFPNOR-DLBZAZTESA-N 2 1 393.329 2.169 20 0 GEADMP Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2=O)n1 ZINC000359998329 209210667 /nfs/dbraw/zinc/21/06/67/209210667.db2.gz LQGKXGZKUKRGRJ-NMLBUPMWSA-N 2 1 379.508 2.026 20 0 GEADMP Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2=O)n1 ZINC000359998329 209210671 /nfs/dbraw/zinc/21/06/71/209210671.db2.gz LQGKXGZKUKRGRJ-NMLBUPMWSA-N 2 1 379.508 2.026 20 0 GEADMP CS[C@H]1CN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C[C@@H]1[NH+](C)C ZINC000371446692 532948179 /nfs/dbraw/zinc/94/81/79/532948179.db2.gz GGMFSRSIFDTCDI-IRXDYDNUSA-N 2 1 382.599 2.168 20 0 GEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736564751 598991529 /nfs/dbraw/zinc/99/15/29/598991529.db2.gz DKKQUCKOKNJKSB-STQMWFEESA-N 2 1 377.518 2.061 20 0 GEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736564751 598991530 /nfs/dbraw/zinc/99/15/30/598991530.db2.gz DKKQUCKOKNJKSB-STQMWFEESA-N 2 1 377.518 2.061 20 0 GEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736564751 598991532 /nfs/dbraw/zinc/99/15/32/598991532.db2.gz DKKQUCKOKNJKSB-STQMWFEESA-N 2 1 377.518 2.061 20 0 GEADMP COCCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc23)CC1 ZINC000821687527 599518831 /nfs/dbraw/zinc/51/88/31/599518831.db2.gz CWAFPZPKUGAWPL-UHFFFAOYSA-N 2 1 395.511 2.366 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccccc1SC ZINC000444027629 649931768 /nfs/dbraw/zinc/93/17/68/649931768.db2.gz CNCMKOADLAEEOB-INIZCTEOSA-N 2 1 385.599 2.445 20 0 GEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825281394 608527738 /nfs/dbraw/zinc/52/77/38/608527738.db2.gz CVKRPFZRQWVOSH-UHFFFAOYSA-N 2 1 382.516 2.458 20 0 GEADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000826509512 609381727 /nfs/dbraw/zinc/38/17/27/609381727.db2.gz XTEBJYXNZFRROJ-HXUWFJFHSA-N 2 1 378.480 2.113 20 0 GEADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824627339 609407545 /nfs/dbraw/zinc/40/75/45/609407545.db2.gz XDOWKXHMSZCGAG-YWZLYKJASA-N 2 1 378.480 2.284 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449123258 650031812 /nfs/dbraw/zinc/03/18/12/650031812.db2.gz BZHCMQYBLIZIIC-UHFFFAOYSA-N 2 1 391.313 2.251 20 0 GEADMP CC(C)NS(=O)(=O)NCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449283250 650037631 /nfs/dbraw/zinc/03/76/31/650037631.db2.gz KTQAPCMETMFUMB-UHFFFAOYSA-N 2 1 376.611 2.088 20 0 GEADMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000510954272 650521803 /nfs/dbraw/zinc/52/18/03/650521803.db2.gz XXLGWIZYGCIRLM-IUODEOHRSA-N 2 1 377.913 2.077 20 0 GEADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ncc(I)s2)CC1 ZINC000512011699 650543923 /nfs/dbraw/zinc/54/39/23/650543923.db2.gz XHTPHOZRVYVHRQ-UHFFFAOYSA-N 2 1 395.310 2.073 20 0 GEADMP C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512350054 650546658 /nfs/dbraw/zinc/54/66/58/650546658.db2.gz GEWLYZHZMLZBPE-CQSZACIVSA-N 2 1 382.555 2.051 20 0 GEADMP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000479070972 650595581 /nfs/dbraw/zinc/59/55/81/650595581.db2.gz QVIPTNBROMNCNS-SWLSCSKDSA-N 2 1 376.282 2.124 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccncc1Br ZINC000268667035 645986023 /nfs/dbraw/zinc/98/60/23/645986023.db2.gz YRLSCKUXJOEHKA-AWEZNQCLSA-N 2 1 383.334 2.332 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ncccc1Br ZINC000279640441 646617599 /nfs/dbraw/zinc/61/75/99/646617599.db2.gz CUZYRGVDJIAHDV-CQSZACIVSA-N 2 1 383.334 2.332 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ncccc1Br ZINC000279640438 646617694 /nfs/dbraw/zinc/61/76/94/646617694.db2.gz CUZYRGVDJIAHDV-AWEZNQCLSA-N 2 1 383.334 2.332 20 0 GEADMP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280276728 646666698 /nfs/dbraw/zinc/66/66/98/646666698.db2.gz LIIREDKVGRYJCK-MRXNPFEDSA-N 2 1 391.965 2.257 20 0 GEADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280276728 646666701 /nfs/dbraw/zinc/66/67/01/646666701.db2.gz LIIREDKVGRYJCK-MRXNPFEDSA-N 2 1 391.965 2.257 20 0 GEADMP O=c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nc2ccc(Br)cn12 ZINC000324221116 647300442 /nfs/dbraw/zinc/30/04/42/647300442.db2.gz RTBJYLORPFWJMP-XJKSGUPXSA-N 2 1 391.313 2.421 20 0 GEADMP O=c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nc2ccc(Br)cn12 ZINC000324221116 647300449 /nfs/dbraw/zinc/30/04/49/647300449.db2.gz RTBJYLORPFWJMP-XJKSGUPXSA-N 2 1 391.313 2.421 20 0 GEADMP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[C@@H]1[NH3+] ZINC000332339027 647435154 /nfs/dbraw/zinc/43/51/54/647435154.db2.gz SHOUIKJGEQLKFT-DYVFJYSZSA-N 2 1 395.345 2.402 20 0 GEADMP CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420353471 648414046 /nfs/dbraw/zinc/41/40/46/648414046.db2.gz BXLLNUSKXWDXAM-MRXNPFEDSA-N 2 1 398.345 2.264 20 0 GEADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCOc3ccc(Br)cc3)C2)nn1 ZINC000420370194 648414673 /nfs/dbraw/zinc/41/46/73/648414673.db2.gz CJZDHICJAZXKQT-OAHLLOKOSA-N 2 1 380.290 2.215 20 0 GEADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423221877 648587793 /nfs/dbraw/zinc/58/77/93/648587793.db2.gz YNLMIBHGQSTIOQ-GVXVVHGQSA-N 2 1 390.347 2.135 20 0 GEADMP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)s1 ZINC000423386939 648590683 /nfs/dbraw/zinc/59/06/83/648590683.db2.gz LSZWRXHGVAYMIF-RKDXNWHRSA-N 2 1 387.269 2.392 20 0 GEADMP C[C@H]([NH3+])C1CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000430923477 648770475 /nfs/dbraw/zinc/77/04/75/648770475.db2.gz FCIFYBCZIFBLOS-LBPRGKRZSA-N 2 1 375.332 2.282 20 0 GEADMP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442799086 648848917 /nfs/dbraw/zinc/84/89/17/648848917.db2.gz YRTHRRVHMVIZOF-IJLUTSLNSA-N 2 1 387.265 2.287 20 0 GEADMP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442799086 648848920 /nfs/dbraw/zinc/84/89/20/648848920.db2.gz YRTHRRVHMVIZOF-IJLUTSLNSA-N 2 1 387.265 2.287 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@H]2CCC[C@H]21 ZINC000552266375 651145308 /nfs/dbraw/zinc/14/53/08/651145308.db2.gz JJBDCYLKOKXNML-VNQPRFMTSA-N 2 1 389.924 2.220 20 0 GEADMP Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723699956 651477849 /nfs/dbraw/zinc/47/78/49/651477849.db2.gz XTYYIITVDMOPRP-GFCCVEGCSA-N 2 1 387.265 2.209 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000564202191 651560730 /nfs/dbraw/zinc/56/07/30/651560730.db2.gz BKYKRIPQFIDWEF-OAHLLOKOSA-N 2 1 377.312 2.434 20 0 GEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCCn1cc(Br)cn1 ZINC000644648277 651560979 /nfs/dbraw/zinc/56/09/79/651560979.db2.gz ZFAWPQWEXVDCQD-QGZVFWFLSA-N 2 1 381.318 2.118 20 0 GEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCCn1cc(Br)cn1 ZINC000644648277 651560984 /nfs/dbraw/zinc/56/09/84/651560984.db2.gz ZFAWPQWEXVDCQD-QGZVFWFLSA-N 2 1 381.318 2.118 20 0 GEADMP O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000569912847 651733015 /nfs/dbraw/zinc/73/30/15/651733015.db2.gz KHVPKPYAQFSEIP-CYBMUJFWSA-N 2 1 392.352 2.299 20 0 GEADMP CCOc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc(Br)c1OC ZINC000647493468 651748558 /nfs/dbraw/zinc/74/85/58/651748558.db2.gz UUSRKTLXHMKGKB-UHFFFAOYSA-N 2 1 386.334 2.193 20 0 GEADMP O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)COc1cc(F)cc(Br)c1 ZINC000573595353 651967479 /nfs/dbraw/zinc/96/74/79/651967479.db2.gz KEMNZGSWAUURAE-MLGOLLRUSA-N 2 1 387.293 2.402 20 0 GEADMP COc1cc2[nH+]ccc(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c2cc1Br ZINC000656219186 652026801 /nfs/dbraw/zinc/02/68/01/652026801.db2.gz NAYWWZITZXSFEO-NWDGAFQWSA-N 2 1 378.270 2.261 20 0 GEADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000626040196 652380279 /nfs/dbraw/zinc/38/02/79/652380279.db2.gz ZAIGZFTWJMQJEA-GDBMZVCRSA-N 2 1 380.330 2.401 20 0 GEADMP O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000581243306 652407569 /nfs/dbraw/zinc/40/75/69/652407569.db2.gz YWZPSCBCONVLJT-CYBMUJFWSA-N 2 1 392.352 2.299 20 0 GEADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)Nc1ccccc1Br ZINC000662152253 652449013 /nfs/dbraw/zinc/44/90/13/652449013.db2.gz ARLKEPJZYQQTLC-HNNXBMFYSA-N 2 1 396.329 2.309 20 0 GEADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)Nc1ccccc1Br ZINC000662152253 652449017 /nfs/dbraw/zinc/44/90/17/652449017.db2.gz ARLKEPJZYQQTLC-HNNXBMFYSA-N 2 1 396.329 2.309 20 0 GEADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662453390 652461716 /nfs/dbraw/zinc/46/17/16/652461716.db2.gz XNVYRVXPZSDQMZ-INIZCTEOSA-N 2 1 398.345 2.455 20 0 GEADMP [NH3+][C@H](C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1Br ZINC000662574197 652468409 /nfs/dbraw/zinc/46/84/09/652468409.db2.gz JFLYRLZPNZGVRB-YESZJQIVSA-N 2 1 396.329 2.194 20 0 GEADMP C[NH2+][C@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Cl)c1Cl ZINC000662570319 652468514 /nfs/dbraw/zinc/46/85/14/652468514.db2.gz JWEWTKSSDXFZJC-WBMJQRKESA-N 2 1 386.323 2.468 20 0 GEADMP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662756056 652473571 /nfs/dbraw/zinc/47/35/71/652473571.db2.gz HGRWMPFSBHSOBB-CXAGYDPISA-N 2 1 387.355 2.396 20 0 GEADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)N2CCc3sccc3C2)CC[C@H]1C(F)(F)F ZINC000629562948 652493574 /nfs/dbraw/zinc/49/35/74/652493574.db2.gz ORJVSEDNMIPSJP-UONOGXRCSA-N 2 1 375.460 2.482 20 0 GEADMP C[NH2+]CCOCC[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000629570382 652493985 /nfs/dbraw/zinc/49/39/85/652493985.db2.gz XKKKVEZFYYANQG-UHFFFAOYSA-N 2 1 376.270 2.085 20 0 GEADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1ccc(Br)cc1 ZINC000663363344 652495236 /nfs/dbraw/zinc/49/52/36/652495236.db2.gz JTDJVMAGNJFMAS-IAGOWNOFSA-N 2 1 399.329 2.032 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000667149277 652594531 /nfs/dbraw/zinc/59/45/31/652594531.db2.gz KORPGDKVLBWCHM-NWDGAFQWSA-N 2 1 381.468 2.318 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000667149277 652594537 /nfs/dbraw/zinc/59/45/37/652594537.db2.gz KORPGDKVLBWCHM-NWDGAFQWSA-N 2 1 381.468 2.318 20 0 GEADMP Cc1c(Br)cncc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000668189888 652632096 /nfs/dbraw/zinc/63/20/96/652632096.db2.gz SDROLRPSUCRVJR-UHFFFAOYSA-N 2 1 383.334 2.234 20 0 GEADMP C[NH+]1CCC(NC(=S)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000761502543 652648889 /nfs/dbraw/zinc/64/88/89/652648889.db2.gz KEZQDFQKUANMTP-GOSISDBHSA-N 2 1 378.611 2.162 20 0 GEADMP O=S(=O)(NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000671766685 652812002 /nfs/dbraw/zinc/81/20/02/652812002.db2.gz SHHCHGRVDFTDOA-STQMWFEESA-N 2 1 392.352 2.488 20 0 GEADMP O=S(=O)(NCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000671766685 652812005 /nfs/dbraw/zinc/81/20/05/652812005.db2.gz SHHCHGRVDFTDOA-STQMWFEESA-N 2 1 392.352 2.488 20 0 GEADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000639761993 652951855 /nfs/dbraw/zinc/95/18/55/652951855.db2.gz PVJUIWDUJUZCIX-QGZVFWFLSA-N 2 1 384.318 2.166 20 0 GEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000639761993 652951861 /nfs/dbraw/zinc/95/18/61/652951861.db2.gz PVJUIWDUJUZCIX-QGZVFWFLSA-N 2 1 384.318 2.166 20 0 GEADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000639761154 652952120 /nfs/dbraw/zinc/95/21/20/652952120.db2.gz KMAWMEZKOQDAHO-QGZVFWFLSA-N 2 1 384.318 2.166 20 0 GEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000639761154 652952126 /nfs/dbraw/zinc/95/21/26/652952126.db2.gz KMAWMEZKOQDAHO-QGZVFWFLSA-N 2 1 384.318 2.166 20 0 GEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(Br)n2)CC1 ZINC000770283254 653207789 /nfs/dbraw/zinc/20/77/89/653207789.db2.gz VUGCDZHLPINGAP-UHFFFAOYSA-N 2 1 376.258 2.243 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](COC)c2cccc(Br)c2)CC1 ZINC000879661816 653677522 /nfs/dbraw/zinc/67/75/22/653677522.db2.gz JKHBXNFOUWHXAZ-QGZVFWFLSA-N 2 1 398.345 2.327 20 0 GEADMP Cn1nc(C(F)(F)F)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1Cl ZINC000841069858 653705795 /nfs/dbraw/zinc/70/57/95/653705795.db2.gz FBQIARYSGFILKR-VIFPVBQESA-N 2 1 393.763 2.018 20 0 GEADMP Cn1nc(C(F)(F)F)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1Cl ZINC000841087640 653706171 /nfs/dbraw/zinc/70/61/71/653706171.db2.gz OSYRXKULWLQQEH-UHFFFAOYSA-N 2 1 379.858 2.398 20 0 GEADMP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ncc1F ZINC000817972110 653722989 /nfs/dbraw/zinc/72/29/89/653722989.db2.gz JRYLIGWLZMTGBE-JOYOIKCWSA-N 2 1 399.230 2.470 20 0 GEADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccccc1Br ZINC000818997793 653740311 /nfs/dbraw/zinc/74/03/11/653740311.db2.gz LDHUXFQXQOAGCD-IRXDYDNUSA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccccc1Br ZINC000818997793 653740312 /nfs/dbraw/zinc/74/03/12/653740312.db2.gz LDHUXFQXQOAGCD-IRXDYDNUSA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000818997495 653740392 /nfs/dbraw/zinc/74/03/92/653740392.db2.gz BUNPPPFZEDYNGS-IRXDYDNUSA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000818997495 653740396 /nfs/dbraw/zinc/74/03/96/653740396.db2.gz BUNPPPFZEDYNGS-IRXDYDNUSA-N 2 1 398.345 2.015 20 0 GEADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000819058312 653742014 /nfs/dbraw/zinc/74/20/14/653742014.db2.gz HYGOWGCQIGGKLN-GOSISDBHSA-N 2 1 384.362 2.490 20 0 GEADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000819063254 653742294 /nfs/dbraw/zinc/74/22/94/653742294.db2.gz YCAMWCIWJHVVOB-SFHVURJKSA-N 2 1 384.362 2.490 20 0 GEADMP C[C@@](O)(C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000843061687 653778312 /nfs/dbraw/zinc/77/83/12/653778312.db2.gz HFGSOBRVRZPHIR-WMLDXEAASA-N 2 1 389.309 2.232 20 0 GEADMP C[C@@](O)(C[NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1F ZINC000843062000 653778575 /nfs/dbraw/zinc/77/85/75/653778575.db2.gz KESNFCNYUYKECD-QGZVFWFLSA-N 2 1 389.309 2.232 20 0 GEADMP O=S(=O)(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(Cl)c1 ZINC000820809234 653784554 /nfs/dbraw/zinc/78/45/54/653784554.db2.gz WYFGYPVVABHCML-ZXFUBFMLSA-N 2 1 383.945 2.366 20 0 GEADMP O=S(=O)(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(Cl)c1 ZINC000820809234 653784556 /nfs/dbraw/zinc/78/45/56/653784556.db2.gz WYFGYPVVABHCML-ZXFUBFMLSA-N 2 1 383.945 2.366 20 0 GEADMP O=S(=O)(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000843363847 653785673 /nfs/dbraw/zinc/78/56/73/653785673.db2.gz DZMIRHYTGAWDRG-UHFFFAOYSA-N 2 1 387.343 2.298 20 0 GEADMP O=S(=O)(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000843363847 653785678 /nfs/dbraw/zinc/78/56/78/653785678.db2.gz DZMIRHYTGAWDRG-UHFFFAOYSA-N 2 1 387.343 2.298 20 0 GEADMP O=C(CC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000843358800 653785798 /nfs/dbraw/zinc/78/57/98/653785798.db2.gz PRGUQGPNEYGORE-KRWDZBQOSA-N 2 1 380.330 2.278 20 0 GEADMP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711166 653813780 /nfs/dbraw/zinc/81/37/80/653813780.db2.gz DFQKZUUTYKRPFO-KSYCFECVSA-N 2 1 380.286 2.377 20 0 GEADMP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711166 653813784 /nfs/dbraw/zinc/81/37/84/653813784.db2.gz DFQKZUUTYKRPFO-KSYCFECVSA-N 2 1 380.286 2.377 20 0 GEADMP CN(C)c1nc(Cl)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000822720818 653837844 /nfs/dbraw/zinc/83/78/44/653837844.db2.gz KZCDJYVFNMGCMK-UHFFFAOYSA-N 2 1 380.905 2.262 20 0 GEADMP Cn1nc(Br)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850357791 654072461 /nfs/dbraw/zinc/07/24/61/654072461.db2.gz VMNKKDGTEGGWDT-INIZCTEOSA-N 2 1 379.302 2.039 20 0 GEADMP Cn1nc(Br)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850357792 654072577 /nfs/dbraw/zinc/07/25/77/654072577.db2.gz VMNKKDGTEGGWDT-MRXNPFEDSA-N 2 1 379.302 2.039 20 0 GEADMP [NH3+]C[C@H]1CC(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)=NO1 ZINC000852886451 654265642 /nfs/dbraw/zinc/26/56/42/654265642.db2.gz MSCOEUXNAFRDBR-OAHLLOKOSA-N 2 1 385.295 2.178 20 0 GEADMP [NH3+]C[C@@H]1CC(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)=NO1 ZINC000852886450 654265954 /nfs/dbraw/zinc/26/59/54/654265954.db2.gz MSCOEUXNAFRDBR-HNNXBMFYSA-N 2 1 385.295 2.178 20 0 GEADMP COc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c(Br)c1O ZINC000904390515 654308792 /nfs/dbraw/zinc/30/87/92/654308792.db2.gz AODWWSOYVMOQIF-ZDUSSCGKSA-N 2 1 385.302 2.493 20 0 GEADMP Cc1cc2c(cc1Br)C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000904432903 654310243 /nfs/dbraw/zinc/31/02/43/654310243.db2.gz ITFGROJVSJMLNA-AWEZNQCLSA-N 2 1 380.330 2.313 20 0 GEADMP CC[N@@H+](CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)CCC(F)(F)F ZINC000922187489 654374529 /nfs/dbraw/zinc/37/45/29/654374529.db2.gz IAOBKEHPHVZUQW-UONOGXRCSA-N 2 1 382.496 2.140 20 0 GEADMP CC[NH+](CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)CCC(F)(F)F ZINC000922187489 654374535 /nfs/dbraw/zinc/37/45/35/654374535.db2.gz IAOBKEHPHVZUQW-UONOGXRCSA-N 2 1 382.496 2.140 20 0 GEADMP CC[NH+](CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)CCC(F)(F)F ZINC000922187489 654374541 /nfs/dbraw/zinc/37/45/41/654374541.db2.gz IAOBKEHPHVZUQW-UONOGXRCSA-N 2 1 382.496 2.140 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)ncc1Cl ZINC000855346620 654414684 /nfs/dbraw/zinc/41/46/84/654414684.db2.gz GZWTUOWTILWLHE-NSHDSACASA-N 2 1 391.741 2.499 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)ncc1Cl ZINC000855346620 654414690 /nfs/dbraw/zinc/41/46/90/654414690.db2.gz GZWTUOWTILWLHE-NSHDSACASA-N 2 1 391.741 2.499 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923466792 654454755 /nfs/dbraw/zinc/45/47/55/654454755.db2.gz XWURTUPSHGZDDP-NSHDSACASA-N 2 1 378.826 2.181 20 0 GEADMP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)CC[C@@H]1C[NH3+] ZINC000923503171 654457270 /nfs/dbraw/zinc/45/72/70/654457270.db2.gz HMAYSEUMJZSTGN-NWDGAFQWSA-N 2 1 387.265 2.146 20 0 GEADMP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925566714 654546062 /nfs/dbraw/zinc/54/60/62/654546062.db2.gz LFLWQRULPZEFPZ-QERJWTBHSA-N 2 1 392.341 2.384 20 0 GEADMP [NH3+][C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)C12CCC2 ZINC000925666532 654547465 /nfs/dbraw/zinc/54/74/65/654547465.db2.gz LXALUACMEDGBGO-OLZOCXBDSA-N 2 1 385.249 2.089 20 0 GEADMP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925688889 654548065 /nfs/dbraw/zinc/54/80/65/654548065.db2.gz RHMUZTUEJWTXNQ-DYVFJYSZSA-N 2 1 383.330 2.483 20 0 GEADMP Cn1c2cc(Br)ccc2nc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482170 654743322 /nfs/dbraw/zinc/74/33/22/654743322.db2.gz QPBOXKUHDPUCBO-UHFFFAOYSA-N 2 1 381.318 2.224 20 0 GEADMP COC(=O)c1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c(Br)c1 ZINC000931481329 654743384 /nfs/dbraw/zinc/74/33/84/654743384.db2.gz QLUSTOBYRMMNGF-UHFFFAOYSA-N 2 1 385.302 2.124 20 0 GEADMP CCOC(=O)c1cnc(C2CC2)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685084 719620580 /nfs/dbraw/zinc/62/05/80/719620580.db2.gz ZROZUOFYTGGQPY-UHFFFAOYSA-N 2 1 398.511 2.202 20 0 GEADMP CCOC(=O)c1cnc(C2CC2)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685084 719620586 /nfs/dbraw/zinc/62/05/86/719620586.db2.gz ZROZUOFYTGGQPY-UHFFFAOYSA-N 2 1 398.511 2.202 20 0 GEADMP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(N(C)C)[nH+]1 ZINC001164840028 720513876 /nfs/dbraw/zinc/51/38/76/720513876.db2.gz VUQODFLDXSGMKM-GUDVDZBRSA-N 2 1 383.544 2.425 20 0 GEADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164840028 720513893 /nfs/dbraw/zinc/51/38/93/720513893.db2.gz VUQODFLDXSGMKM-GUDVDZBRSA-N 2 1 383.544 2.425 20 0 GEADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164840028 720513901 /nfs/dbraw/zinc/51/39/01/720513901.db2.gz VUQODFLDXSGMKM-GUDVDZBRSA-N 2 1 383.544 2.425 20 0 GEADMP c1cnn(Cc2c[nH+]c3n2CCN(c2ccc(C[NH+]4CCCC4)cn2)CC3)c1 ZINC001164863980 721033852 /nfs/dbraw/zinc/03/38/52/721033852.db2.gz WAUJXKIDEHHKIE-UHFFFAOYSA-N 2 1 377.496 2.181 20 0 GEADMP C[NH+](C)Cc1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164800830 721585129 /nfs/dbraw/zinc/58/51/29/721585129.db2.gz CUCUIUOYHMPCBD-ONTIZHBOSA-N 2 1 381.524 2.406 20 0 GEADMP CSCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000168950444 531880765 /nfs/dbraw/zinc/88/07/65/531880765.db2.gz BCUJMCLJQBWRCE-CABCVRRESA-N 2 1 375.460 2.476 20 0 GEADMP CSCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000168954878 531880937 /nfs/dbraw/zinc/88/09/37/531880937.db2.gz BCUJMCLJQBWRCE-LSDHHAIUSA-N 2 1 375.460 2.476 20 0 GEADMP CN(CC[N@@H+](C)C[C@H](O)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000180951131 532286283 /nfs/dbraw/zinc/28/62/83/532286283.db2.gz YJIACHGYCOTEHE-SFHVURJKSA-N 2 1 384.362 2.440 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000182967139 532319973 /nfs/dbraw/zinc/31/99/73/532319973.db2.gz GMXAPFNDIRZMIE-MRXNPFEDSA-N 2 1 390.355 2.302 20 0 GEADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000187211064 532343548 /nfs/dbraw/zinc/34/35/48/532343548.db2.gz WNFHZWVJAAYQQR-UHFFFAOYSA-N 2 1 387.977 2.251 20 0 GEADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000647522881 532375261 /nfs/dbraw/zinc/37/52/61/532375261.db2.gz PYEHBULBFJHWLY-HZPDHXFCSA-N 2 1 391.339 2.416 20 0 GEADMP CCc1[nH]nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1Br ZINC000279147284 532389337 /nfs/dbraw/zinc/38/93/37/532389337.db2.gz YSBXJJKMAMPEEC-UHFFFAOYSA-N 2 1 388.354 2.080 20 0 GEADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000521358468 532512114 /nfs/dbraw/zinc/51/21/14/532512114.db2.gz XSIXGHMIAHHGDT-INIZCTEOSA-N 2 1 396.329 2.369 20 0 GEADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000521358468 532512123 /nfs/dbraw/zinc/51/21/23/532512123.db2.gz XSIXGHMIAHHGDT-INIZCTEOSA-N 2 1 396.329 2.369 20 0 GEADMP O=C([C@@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1)N1CC[NH2+]CC1 ZINC000470012941 532517710 /nfs/dbraw/zinc/51/77/10/532517710.db2.gz LAACAIAHZNPBHT-CYBMUJFWSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000469996300 532518163 /nfs/dbraw/zinc/51/81/63/532518163.db2.gz LOCAWCMSZXYWRF-AWEZNQCLSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000469996300 532518168 /nfs/dbraw/zinc/51/81/68/532518168.db2.gz LOCAWCMSZXYWRF-AWEZNQCLSA-N 2 1 384.293 2.232 20 0 GEADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470011674 532518626 /nfs/dbraw/zinc/51/86/26/532518626.db2.gz MEJCIDVQQNMBKU-CQSZACIVSA-N 2 1 396.329 2.102 20 0 GEADMP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000565046071 532544493 /nfs/dbraw/zinc/54/44/93/532544493.db2.gz ATEBJXRHBZXXKE-ZIAGYGMSSA-N 2 1 381.318 2.494 20 0 GEADMP CCCC[C@H](C[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595925301 532578485 /nfs/dbraw/zinc/57/84/85/532578485.db2.gz XXDSREURLHOKNS-MRVPVSSYSA-N 2 1 393.294 2.203 20 0 GEADMP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000474929545 532633121 /nfs/dbraw/zinc/63/31/21/532633121.db2.gz UIGNBOSBAQGHCP-BBRMVZONSA-N 2 1 388.293 2.269 20 0 GEADMP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000474929545 532633128 /nfs/dbraw/zinc/63/31/28/532633128.db2.gz UIGNBOSBAQGHCP-BBRMVZONSA-N 2 1 388.293 2.269 20 0 GEADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)cs1 ZINC000481182852 532667459 /nfs/dbraw/zinc/66/74/59/532667459.db2.gz ASZDJYYTQBZSEC-SFHVURJKSA-N 2 1 382.599 2.217 20 0 GEADMP C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000390689572 532706553 /nfs/dbraw/zinc/70/65/53/532706553.db2.gz ZNEHIVAQBMMART-NNQSOWQGSA-N 2 1 377.286 2.172 20 0 GEADMP C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000390689572 532706562 /nfs/dbraw/zinc/70/65/62/532706562.db2.gz ZNEHIVAQBMMART-NNQSOWQGSA-N 2 1 377.286 2.172 20 0 GEADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1ccc(Cl)cc1Cl ZINC000580445306 532747206 /nfs/dbraw/zinc/74/72/06/532747206.db2.gz RPWHTTJZKBDBCU-LSDHHAIUSA-N 2 1 377.312 2.170 20 0 GEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(I)cc3)C[C@@H]21 ZINC000584529912 532769142 /nfs/dbraw/zinc/76/91/42/532769142.db2.gz FFFIQNJNFYOYMI-BYCMXARLSA-N 2 1 399.276 2.289 20 0 GEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(I)cc3)C[C@@H]21 ZINC000584529912 532769145 /nfs/dbraw/zinc/76/91/45/532769145.db2.gz FFFIQNJNFYOYMI-BYCMXARLSA-N 2 1 399.276 2.289 20 0 GEADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000414759992 532834791 /nfs/dbraw/zinc/83/47/91/532834791.db2.gz POLNVAUOFDJPOB-XJKSGUPXSA-N 2 1 396.329 2.402 20 0 GEADMP CCCOc1c(Br)cc(C[N@H+](C)C[C@H](O)C[NH3+])cc1OCC ZINC000415052121 532837375 /nfs/dbraw/zinc/83/73/75/532837375.db2.gz HRORWQDBEBTAEE-CYBMUJFWSA-N 2 1 375.307 2.388 20 0 GEADMP CCCOc1c(Br)cc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1OCC ZINC000415052121 532837376 /nfs/dbraw/zinc/83/73/76/532837376.db2.gz HRORWQDBEBTAEE-CYBMUJFWSA-N 2 1 375.307 2.388 20 0 GEADMP O=C1N[C@@H]2C[N@H+](Cc3ccccc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415144137 532838793 /nfs/dbraw/zinc/83/87/93/532838793.db2.gz UOBUDACHEFPNOR-IAGOWNOFSA-N 2 1 393.329 2.169 20 0 GEADMP O=C1N[C@@H]2C[N@@H+](Cc3ccccc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415144137 532838797 /nfs/dbraw/zinc/83/87/97/532838797.db2.gz UOBUDACHEFPNOR-IAGOWNOFSA-N 2 1 393.329 2.169 20 0 GEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000328606331 209145372 /nfs/dbraw/zinc/14/53/72/209145372.db2.gz RCTBOVFOKCAVOO-OXQOHEQNSA-N 2 1 379.468 2.475 20 0 GEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000328606331 209145375 /nfs/dbraw/zinc/14/53/75/209145375.db2.gz RCTBOVFOKCAVOO-OXQOHEQNSA-N 2 1 379.468 2.475 20 0 GEADMP COc1cc(Br)c(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1O ZINC000333132766 532864273 /nfs/dbraw/zinc/86/42/73/532864273.db2.gz JTSVKGPVNDZXOB-HIFRSBDPSA-N 2 1 397.313 2.364 20 0 GEADMP COc1cc(Br)c(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1O ZINC000333132766 532864277 /nfs/dbraw/zinc/86/42/77/532864277.db2.gz JTSVKGPVNDZXOB-HIFRSBDPSA-N 2 1 397.313 2.364 20 0 GEADMP C[N@@H+](CCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000419722969 532882838 /nfs/dbraw/zinc/88/28/38/532882838.db2.gz CGVXIEFLSPRDEE-UHFFFAOYSA-N 2 1 390.347 2.061 20 0 GEADMP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3c(Cl)cccc3S(C)(=O)=O)C2)CC1 ZINC000368282441 532931157 /nfs/dbraw/zinc/93/11/57/532931157.db2.gz FZPZVKGFGWPXJV-CQSZACIVSA-N 2 1 385.961 2.002 20 0 GEADMP C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])CCN1C1CC[NH+](C)CC1 ZINC000370717605 532944948 /nfs/dbraw/zinc/94/49/48/532944948.db2.gz WBKOHBPISXASIX-ZDUSSCGKSA-N 2 1 396.329 2.395 20 0 GEADMP CS[C@@H]1CN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C[C@H]1[NH+](C)C ZINC000371446691 532948168 /nfs/dbraw/zinc/94/81/68/532948168.db2.gz GGMFSRSIFDTCDI-IAGOWNOFSA-N 2 1 382.599 2.168 20 0 GEADMP CC[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736510820 598509006 /nfs/dbraw/zinc/50/90/06/598509006.db2.gz LNRGNWYUSLOJQX-UHFFFAOYSA-N 2 1 393.495 2.389 20 0 GEADMP CC[N@@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736510820 598509008 /nfs/dbraw/zinc/50/90/08/598509008.db2.gz LNRGNWYUSLOJQX-UHFFFAOYSA-N 2 1 393.495 2.389 20 0 GEADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)oc1C ZINC000737479100 598714880 /nfs/dbraw/zinc/71/48/80/598714880.db2.gz ZCWRHZYPCOZRGU-UHFFFAOYSA-N 2 1 381.484 2.473 20 0 GEADMP C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000736856594 599354155 /nfs/dbraw/zinc/35/41/55/599354155.db2.gz KVHMPELBUQRFSN-CYBMUJFWSA-N 2 1 391.907 2.122 20 0 GEADMP C[NH+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000736856594 599354157 /nfs/dbraw/zinc/35/41/57/599354157.db2.gz KVHMPELBUQRFSN-CYBMUJFWSA-N 2 1 391.907 2.122 20 0 GEADMP C[NH+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000736856594 599354159 /nfs/dbraw/zinc/35/41/59/599354159.db2.gz KVHMPELBUQRFSN-CYBMUJFWSA-N 2 1 391.907 2.122 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccccc1SC ZINC000444027630 649931702 /nfs/dbraw/zinc/93/17/02/649931702.db2.gz CNCMKOADLAEEOB-MRXNPFEDSA-N 2 1 385.599 2.445 20 0 GEADMP O[C@@H](C[NH+]1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)c1ccccc1 ZINC000823675445 606419407 /nfs/dbraw/zinc/41/94/07/606419407.db2.gz WXKXBROJYJMPRA-SFHVURJKSA-N 2 1 398.536 2.463 20 0 GEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)CC1 ZINC000826021616 607889602 /nfs/dbraw/zinc/88/96/02/607889602.db2.gz ALAYQMNBDWTHLV-LJQANCHMSA-N 2 1 392.511 2.351 20 0 GEADMP Cc1nn(-c2ccccc2)c(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826332089 608314975 /nfs/dbraw/zinc/31/49/75/608314975.db2.gz JQRMHXJGKBFKOB-RHSMWYFYSA-N 2 1 380.500 2.275 20 0 GEADMP c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826515779 608859599 /nfs/dbraw/zinc/85/95/99/608859599.db2.gz KOFOUUZTBJHTNK-OALUTQOASA-N 2 1 376.464 2.097 20 0 GEADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824626400 609372291 /nfs/dbraw/zinc/37/22/91/609372291.db2.gz NRFHPWLLAFNICP-QRWLVFNGSA-N 2 1 378.480 2.284 20 0 GEADMP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cc1 ZINC000530239699 650719395 /nfs/dbraw/zinc/71/93/95/650719395.db2.gz TZYXFXCUJREFRP-KRWDZBQOSA-N 2 1 396.329 2.478 20 0 GEADMP CS[C@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000490860079 650780969 /nfs/dbraw/zinc/78/09/69/650780969.db2.gz QNHFOFORFUKHQY-MQYQWHSLSA-N 2 1 381.508 2.399 20 0 GEADMP O=C(NCC[NH+]1CCSCC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000491089048 650783166 /nfs/dbraw/zinc/78/31/66/650783166.db2.gz COBWICFMPRINEE-UHFFFAOYSA-N 2 1 386.631 2.086 20 0 GEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000127163066 643761240 /nfs/dbraw/zinc/76/12/40/643761240.db2.gz UMPLTVUCKYBJKU-RDJZCZTQSA-N 2 1 385.599 2.395 20 0 GEADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188790815 645125670 /nfs/dbraw/zinc/12/56/70/645125670.db2.gz OYYJXHGGJOGGIN-GOEBONIOSA-N 2 1 384.293 2.230 20 0 GEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000545853523 650981836 /nfs/dbraw/zinc/98/18/36/650981836.db2.gz GKOBXNJIPGPHRW-GOSISDBHSA-N 2 1 382.346 2.070 20 0 GEADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000545853523 650981837 /nfs/dbraw/zinc/98/18/37/650981837.db2.gz GKOBXNJIPGPHRW-GOSISDBHSA-N 2 1 382.346 2.070 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@@H]2CCC[C@@H]21 ZINC000375803489 647834442 /nfs/dbraw/zinc/83/44/42/647834442.db2.gz CQUVMQAZJMPNIW-KKUMJFAQSA-N 2 1 383.480 2.010 20 0 GEADMP [NH3+][C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000417880903 648264131 /nfs/dbraw/zinc/26/41/31/648264131.db2.gz DGMYCLQFIQLNNK-KRWDZBQOSA-N 2 1 395.345 2.450 20 0 GEADMP [NH3+]C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000417885391 648264523 /nfs/dbraw/zinc/26/45/23/648264523.db2.gz IUPVRADUEXJPKX-HNNXBMFYSA-N 2 1 395.345 2.404 20 0 GEADMP CC(C)([NH3+])CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417892043 648265051 /nfs/dbraw/zinc/26/50/51/648265051.db2.gz QEDVWIUTUZXCQC-UHFFFAOYSA-N 2 1 383.334 2.450 20 0 GEADMP C[C@H](C[NH3+])N(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417898226 648265696 /nfs/dbraw/zinc/26/56/96/648265696.db2.gz YWQVXTAGOIGUJH-CYBMUJFWSA-N 2 1 383.334 2.402 20 0 GEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430931332 648770610 /nfs/dbraw/zinc/77/06/10/648770610.db2.gz ZKBJNTFABBZKLM-LSDHHAIUSA-N 2 1 398.345 2.346 20 0 GEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430931332 648770613 /nfs/dbraw/zinc/77/06/13/648770613.db2.gz ZKBJNTFABBZKLM-LSDHHAIUSA-N 2 1 398.345 2.346 20 0 GEADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000430948712 648771084 /nfs/dbraw/zinc/77/10/84/648771084.db2.gz KYKWPXGHMOULNH-UHFFFAOYSA-N 2 1 387.265 2.161 20 0 GEADMP COc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc(Br)c1O ZINC000441348181 648825837 /nfs/dbraw/zinc/82/58/37/648825837.db2.gz DLJAWPDJIQDGPS-UHFFFAOYSA-N 2 1 386.334 2.279 20 0 GEADMP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056579 648858563 /nfs/dbraw/zinc/85/85/63/648858563.db2.gz DACMLLJPEKJICE-OAHLLOKOSA-N 2 1 398.345 2.347 20 0 GEADMP CN(CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)S(=O)(=O)c1cccs1 ZINC000643475111 651488517 /nfs/dbraw/zinc/48/85/17/651488517.db2.gz CELYYNUEFXUWFD-SJORKVTESA-N 2 1 379.551 2.452 20 0 GEADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000570687412 651783887 /nfs/dbraw/zinc/78/38/87/651783887.db2.gz VBPZTNBFQCWCOH-WMLDXEAASA-N 2 1 397.317 2.001 20 0 GEADMP O=c1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc2ccc(Br)cn12 ZINC000574519491 652027011 /nfs/dbraw/zinc/02/70/11/652027011.db2.gz MSLDYVDVYYZSPO-KGLIPLIRSA-N 2 1 391.313 2.279 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCc3ccc(F)c(Br)c3C2)C1 ZINC000623238785 652228660 /nfs/dbraw/zinc/22/86/60/652228660.db2.gz SSNNYMQBWBINST-GFCCVEGCSA-N 2 1 384.293 2.144 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCc3ccc(F)c(Br)c3C2)C1 ZINC000623238785 652228667 /nfs/dbraw/zinc/22/86/67/652228667.db2.gz SSNNYMQBWBINST-GFCCVEGCSA-N 2 1 384.293 2.144 20 0 GEADMP C[C@@H]1CN(CCN(C)C(=O)[C@](C)(N)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000582061469 652433735 /nfs/dbraw/zinc/43/37/35/652433735.db2.gz USPAEIXYBZGKSE-QWQRMKEZSA-N 2 1 398.345 2.191 20 0 GEADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cn1 ZINC000662295137 652455119 /nfs/dbraw/zinc/45/51/19/652455119.db2.gz TVZNJHJQGNOAMX-AWEZNQCLSA-N 2 1 381.318 2.494 20 0 GEADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000662728759 652471830 /nfs/dbraw/zinc/47/18/30/652471830.db2.gz XAFOSTVCVQUYCV-PBHICJAKSA-N 2 1 386.323 2.438 20 0 GEADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1ccc(Br)cc1 ZINC000663363346 652495154 /nfs/dbraw/zinc/49/51/54/652495154.db2.gz JTDJVMAGNJFMAS-SJORKVTESA-N 2 1 399.329 2.032 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000634712749 652657535 /nfs/dbraw/zinc/65/75/35/652657535.db2.gz LFABUVUZUMPHQJ-MRXNPFEDSA-N 2 1 390.355 2.349 20 0 GEADMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000638519914 652892267 /nfs/dbraw/zinc/89/22/67/652892267.db2.gz AVHDFKBOTMEXIY-UHFFFAOYSA-N 2 1 383.539 2.016 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(Br)n1 ZINC000874267092 653298790 /nfs/dbraw/zinc/29/87/90/653298790.db2.gz WSBDZTPEGZPLBC-GFCCVEGCSA-N 2 1 389.363 2.394 20 0 GEADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876778128 653447127 /nfs/dbraw/zinc/44/71/27/653447127.db2.gz XGRBXNNQELYDPH-PBHICJAKSA-N 2 1 398.320 2.477 20 0 GEADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000877357882 653478573 /nfs/dbraw/zinc/47/85/73/653478573.db2.gz VECSODUBCBZILZ-UBHAPETDSA-N 2 1 380.208 2.045 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(Br)cs1 ZINC000779763580 653609483 /nfs/dbraw/zinc/60/94/83/653609483.db2.gz KKHVXFVGSCQCEN-LBPRGKRZSA-N 2 1 389.363 2.394 20 0 GEADMP O[C@H](C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C[NH+]1CCCCC1 ZINC000843061278 653778330 /nfs/dbraw/zinc/77/83/30/653778330.db2.gz DJVUIUDAOKKBEZ-CJNGLKHVSA-N 2 1 375.282 2.058 20 0 GEADMP Cc1cc(S(=O)(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c(C)s1 ZINC000820823424 653784499 /nfs/dbraw/zinc/78/44/99/653784499.db2.gz NCMDEXPOEYCUEL-ZXFUBFMLSA-N 2 1 383.583 2.391 20 0 GEADMP Cc1cc(S(=O)(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(C)s1 ZINC000820823424 653784502 /nfs/dbraw/zinc/78/45/02/653784502.db2.gz NCMDEXPOEYCUEL-ZXFUBFMLSA-N 2 1 383.583 2.391 20 0 GEADMP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714053 653814249 /nfs/dbraw/zinc/81/42/49/653814249.db2.gz DXEUYCTVJPMURA-SRMUXQRQSA-N 2 1 380.286 2.377 20 0 GEADMP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714053 653814251 /nfs/dbraw/zinc/81/42/51/653814251.db2.gz DXEUYCTVJPMURA-SRMUXQRQSA-N 2 1 380.286 2.377 20 0 GEADMP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1nc2ccccn2c1Br ZINC000826903358 653965640 /nfs/dbraw/zinc/96/56/40/653965640.db2.gz PMKAQXNTKDJCOA-AWEZNQCLSA-N 2 1 382.350 2.458 20 0 GEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000849064003 654003416 /nfs/dbraw/zinc/00/34/16/654003416.db2.gz SPNMTGRPYSQWMD-QWHCGFSZSA-N 2 1 389.327 2.331 20 0 GEADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cn(C)nc3Br)CC2)CC1 ZINC000829116090 654059865 /nfs/dbraw/zinc/05/98/65/654059865.db2.gz GBOSFEPBRMXJST-UHFFFAOYSA-N 2 1 398.349 2.317 20 0 GEADMP [NH3+][C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000852858171 654263660 /nfs/dbraw/zinc/26/36/60/654263660.db2.gz SGJBPQYOTDRADW-WMLDXEAASA-N 2 1 396.329 2.209 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719450 654280859 /nfs/dbraw/zinc/28/08/59/654280859.db2.gz ZVNJZVCPLXYFST-MAUKXSAKSA-N 2 1 396.329 2.396 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719450 654280863 /nfs/dbraw/zinc/28/08/63/654280863.db2.gz ZVNJZVCPLXYFST-MAUKXSAKSA-N 2 1 396.329 2.396 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCc3cc(F)c(Br)cc3C2)C1 ZINC000904433920 654310360 /nfs/dbraw/zinc/31/03/60/654310360.db2.gz QTPUJWWJFCWQOE-LBPRGKRZSA-N 2 1 384.293 2.144 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCc3cc(F)c(Br)cc3C2)C1 ZINC000904433920 654310363 /nfs/dbraw/zinc/31/03/63/654310363.db2.gz QTPUJWWJFCWQOE-LBPRGKRZSA-N 2 1 384.293 2.144 20 0 GEADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3c(Br)cnn3C)C2)[C@@H]1C(C)C ZINC000922395402 654389979 /nfs/dbraw/zinc/38/99/79/654389979.db2.gz XFVMLOWZAPDDJL-SIXLDLHFSA-N 2 1 385.350 2.142 20 0 GEADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(S(C)(=O)=O)s3)C2)[C@@H]1C(C)C ZINC000922396170 654389999 /nfs/dbraw/zinc/38/99/99/654389999.db2.gz VQTYTQMIRXQLNB-XYVMCAHJSA-N 2 1 386.583 2.111 20 0 GEADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923291410 654441556 /nfs/dbraw/zinc/44/15/56/654441556.db2.gz RMMOFQPXNWPNRD-WCQYABFASA-N 2 1 377.710 2.384 20 0 GEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923291410 654441558 /nfs/dbraw/zinc/44/15/58/654441558.db2.gz RMMOFQPXNWPNRD-WCQYABFASA-N 2 1 377.710 2.384 20 0 GEADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925175081 654536164 /nfs/dbraw/zinc/53/61/64/654536164.db2.gz UGFNXBSGYKCBKR-DLBZAZTESA-N 2 1 382.599 2.401 20 0 GEADMP CCN1CCC([N@H+]2CCCN(Cc3ccc(Br)nc3N)CC2)CC1 ZINC000930751949 654718976 /nfs/dbraw/zinc/71/89/76/654718976.db2.gz QBKUXXOGPFFYDL-UHFFFAOYSA-N 2 1 396.377 2.418 20 0 GEADMP CC[NH+]1CCC(N2CCCN(Cc3ccc(Br)nc3N)CC2)CC1 ZINC000930751949 654718979 /nfs/dbraw/zinc/71/89/79/654718979.db2.gz QBKUXXOGPFFYDL-UHFFFAOYSA-N 2 1 396.377 2.418 20 0 GEADMP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(Br)nc3N)CC2)CC1 ZINC000930751949 654718981 /nfs/dbraw/zinc/71/89/81/654718981.db2.gz QBKUXXOGPFFYDL-UHFFFAOYSA-N 2 1 396.377 2.418 20 0 GEADMP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(Br)nc3N)CC2)CC1 ZINC000930751949 654718985 /nfs/dbraw/zinc/71/89/85/654718985.db2.gz QBKUXXOGPFFYDL-UHFFFAOYSA-N 2 1 396.377 2.418 20 0 GEADMP C[C@@H](NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000931487665 654743812 /nfs/dbraw/zinc/74/38/12/654743812.db2.gz FTPLOKXBTSSALL-CQSZACIVSA-N 2 1 398.345 2.015 20 0 GEADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000913159793 654785618 /nfs/dbraw/zinc/78/56/18/654785618.db2.gz QRYJMRABYSTQNY-QGZVFWFLSA-N 2 1 387.355 2.206 20 0 GEADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCN3CC[NH2+]C[C@H]3C2)n1 ZINC001164404333 718839809 /nfs/dbraw/zinc/83/98/09/718839809.db2.gz MICHOGAVCFCUTK-INIZCTEOSA-N 2 1 388.585 2.244 20 0 GEADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)n1 ZINC001164410069 718853067 /nfs/dbraw/zinc/85/30/67/718853067.db2.gz YNYWAHWCSUIEOG-MGPUTAFESA-N 2 1 389.569 2.168 20 0 GEADMP COC(=O)c1cccc2nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)ncc21 ZINC001164683926 719613981 /nfs/dbraw/zinc/61/39/81/719613981.db2.gz LMUDNOVUHWRFQM-UHFFFAOYSA-N 2 1 394.479 2.088 20 0 GEADMP COC(=O)c1cccc2nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)ncc21 ZINC001164683926 719613987 /nfs/dbraw/zinc/61/39/87/719613987.db2.gz LMUDNOVUHWRFQM-UHFFFAOYSA-N 2 1 394.479 2.088 20 0 GEADMP COC(=O)c1cc2ccncc2nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681552 719624675 /nfs/dbraw/zinc/62/46/75/719624675.db2.gz HVIRETVBYCBJFN-UHFFFAOYSA-N 2 1 394.479 2.088 20 0 GEADMP COC(=O)c1cc2ccncc2nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681552 719624683 /nfs/dbraw/zinc/62/46/83/719624683.db2.gz HVIRETVBYCBJFN-UHFFFAOYSA-N 2 1 394.479 2.088 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2cccc(OCC[NH+]3CCCC3)n2)c2c1CC[NH2+]C2 ZINC001164679568 719634020 /nfs/dbraw/zinc/63/40/20/719634020.db2.gz HFUIRSSRTQREMV-UHFFFAOYSA-N 3 1 398.555 2.228 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2cccc(OCC[NH+]3CCCC3)n2)c2c1CC[NH2+]C2 ZINC001164679568 719634022 /nfs/dbraw/zinc/63/40/22/719634022.db2.gz HFUIRSSRTQREMV-UHFFFAOYSA-N 3 1 398.555 2.228 20 0 GEADMP COC(=O)CSc1cccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680605 719634855 /nfs/dbraw/zinc/63/48/55/719634855.db2.gz YBJQUSYPSGTREY-UHFFFAOYSA-N 2 1 389.525 2.018 20 0 GEADMP COC(=O)CSc1cccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680605 719634859 /nfs/dbraw/zinc/63/48/59/719634859.db2.gz YBJQUSYPSGTREY-UHFFFAOYSA-N 2 1 389.525 2.018 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc(-c3cccc(F)c3)n2)c2c1CC[NH2+]C2 ZINC001164679524 719642726 /nfs/dbraw/zinc/64/27/26/719642726.db2.gz FHCIZUCKYFKTEH-UHFFFAOYSA-N 2 1 381.459 2.349 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc(-c3cccc(F)c3)n2)c2c1CC[NH2+]C2 ZINC001164679524 719642727 /nfs/dbraw/zinc/64/27/27/719642727.db2.gz FHCIZUCKYFKTEH-UHFFFAOYSA-N 2 1 381.459 2.349 20 0 GEADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164844847 720678015 /nfs/dbraw/zinc/67/80/15/720678015.db2.gz VNIKKTKBFSJUFY-GOSISDBHSA-N 2 1 379.508 2.340 20 0 GEADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164844847 720678025 /nfs/dbraw/zinc/67/80/25/720678025.db2.gz VNIKKTKBFSJUFY-GOSISDBHSA-N 2 1 379.508 2.340 20 0 GEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cccc(N3CC[NH+](C)CC3)n1)[C@H]2C ZINC001164858123 720978461 /nfs/dbraw/zinc/97/84/61/720978461.db2.gz HEQZHACJGBAZHK-SFHVURJKSA-N 2 1 397.571 2.451 20 0 GEADMP Cc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164866894 721053273 /nfs/dbraw/zinc/05/32/73/721053273.db2.gz GUECCKFYQNCEJQ-PMACEKPBSA-N 2 1 394.523 2.260 20 0 GEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(C[NH+](C)C5CC5)cn4)C[C@H]3C2)cn1 ZINC001164762526 721214209 /nfs/dbraw/zinc/21/42/09/721214209.db2.gz CPGNXZBHZDACSE-WOJBJXKFSA-N 2 1 380.540 2.368 20 0 GEADMP Cn1cc(C[NH+]2CC[C@@H]3CN(c4ccc(C[N@H+](C)C5CC5)cn4)C[C@H]3C2)cn1 ZINC001164762526 721214213 /nfs/dbraw/zinc/21/42/13/721214213.db2.gz CPGNXZBHZDACSE-WOJBJXKFSA-N 2 1 380.540 2.368 20 0 GEADMP Cn1cc(C[NH+]2CC[C@@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)C[C@H]3C2)cn1 ZINC001164762526 721214218 /nfs/dbraw/zinc/21/42/18/721214218.db2.gz CPGNXZBHZDACSE-WOJBJXKFSA-N 2 1 380.540 2.368 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C4C[NH2+]C4)ncn3)C[C@H]21 ZINC001165019715 721832114 /nfs/dbraw/zinc/83/21/14/721832114.db2.gz BIDHMVHSFDEAGP-OZOXKJRCSA-N 2 1 378.524 2.295 20 0 GEADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc5c(n4)C[NH2+]C5)CC3)C2)cc1 ZINC001164939894 721925706 /nfs/dbraw/zinc/92/57/06/721925706.db2.gz PFFXIWREXALKRF-UHFFFAOYSA-N 2 1 379.508 2.260 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccsc1Cl ZINC000190243756 532355305 /nfs/dbraw/zinc/35/53/05/532355305.db2.gz RSTLLPPDVPDORJ-ZDUSSCGKSA-N 2 1 386.949 2.215 20 0 GEADMP CN(CCC[N@@H+](C)Cc1cn2cc(Br)ccc2n1)CC[NH+](C)C ZINC000677215258 532367112 /nfs/dbraw/zinc/36/71/12/532367112.db2.gz CSCHLMSQRUPDAK-UHFFFAOYSA-N 2 1 382.350 2.412 20 0 GEADMP Brc1cc2cccnc2c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000519605633 532471112 /nfs/dbraw/zinc/47/11/12/532471112.db2.gz LXWOKTLJDYGXQK-KRWDZBQOSA-N 2 1 375.314 2.477 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429401701 532474927 /nfs/dbraw/zinc/47/49/27/532474927.db2.gz BAARGQWSHYRSHW-INIZCTEOSA-N 2 1 385.346 2.301 20 0 GEADMP CSCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000237313375 532507270 /nfs/dbraw/zinc/50/72/70/532507270.db2.gz NUBHIPGYRNUUSX-INIZCTEOSA-N 2 1 384.977 2.049 20 0 GEADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470010381 532519046 /nfs/dbraw/zinc/51/90/46/532519046.db2.gz WRAFYFRPDCZDRP-MRXNPFEDSA-N 2 1 380.330 2.401 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCc3cc(F)cc(Br)c3C2)C1 ZINC000629672611 532498317 /nfs/dbraw/zinc/49/83/17/532498317.db2.gz XDKZYQOBRZGKAG-GFCCVEGCSA-N 2 1 384.293 2.144 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCc3cc(F)cc(Br)c3C2)C1 ZINC000629672611 532498324 /nfs/dbraw/zinc/49/83/24/532498324.db2.gz XDKZYQOBRZGKAG-GFCCVEGCSA-N 2 1 384.293 2.144 20 0 GEADMP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000262078674 532584740 /nfs/dbraw/zinc/58/47/40/532584740.db2.gz DUGKPTYFSGISRZ-LBPRGKRZSA-N 2 1 376.448 2.114 20 0 GEADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000262078674 532584747 /nfs/dbraw/zinc/58/47/47/532584747.db2.gz DUGKPTYFSGISRZ-LBPRGKRZSA-N 2 1 376.448 2.114 20 0 GEADMP Brc1ccc(-n2cc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cn2)cc1 ZINC000262168651 532587752 /nfs/dbraw/zinc/58/77/52/532587752.db2.gz UTSSSIWLHHZUNH-GOSISDBHSA-N 2 1 390.329 2.114 20 0 GEADMP C[C@H](CC[NH+](C)C)NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595944770 532579472 /nfs/dbraw/zinc/57/94/72/532579472.db2.gz XMEYWQANIKZYPY-MRVPVSSYSA-N 2 1 393.294 2.026 20 0 GEADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000414732040 532834735 /nfs/dbraw/zinc/83/47/35/532834735.db2.gz UGYYWWJJSWIZIH-UHFFFAOYSA-N 2 1 375.851 2.197 20 0 GEADMP Cc1cc(Br)cc2c1C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000414753609 532834898 /nfs/dbraw/zinc/83/48/98/532834898.db2.gz DYZHSBBCMUXIQW-CQSZACIVSA-N 2 1 380.330 2.313 20 0 GEADMP Cn1c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)nc2cc(Cl)ccc21 ZINC000414991635 532836743 /nfs/dbraw/zinc/83/67/43/532836743.db2.gz SPFKKLQJZGFMAH-AWEZNQCLSA-N 2 1 375.826 2.152 20 0 GEADMP Cn1c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)nc2ccc(Cl)cc21 ZINC000414996112 532837000 /nfs/dbraw/zinc/83/70/00/532837000.db2.gz XBMKOZXRYQBCMW-AWEZNQCLSA-N 2 1 375.826 2.152 20 0 GEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000423099194 532894000 /nfs/dbraw/zinc/89/40/00/532894000.db2.gz FDPOSZNIKGESBA-RISCZKNCSA-N 2 1 387.265 2.207 20 0 GEADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCCc2ccc(OCC[NH+](C)C)cc2)[nH+]1 ZINC000737241559 598797568 /nfs/dbraw/zinc/79/75/68/598797568.db2.gz RVFBIDVXQVKNPK-UHFFFAOYSA-N 2 1 381.484 2.474 20 0 GEADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821188948 599330392 /nfs/dbraw/zinc/33/03/92/599330392.db2.gz HGVUPQJDJNYBKF-MRXNPFEDSA-N 2 1 395.515 2.055 20 0 GEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821188948 599330395 /nfs/dbraw/zinc/33/03/95/599330395.db2.gz HGVUPQJDJNYBKF-MRXNPFEDSA-N 2 1 395.515 2.055 20 0 GEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000821378150 599439492 /nfs/dbraw/zinc/43/94/92/599439492.db2.gz JWYIBTYCTSAQSW-YJBOKZPZSA-N 2 1 388.516 2.102 20 0 GEADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822964363 599641997 /nfs/dbraw/zinc/64/19/97/599641997.db2.gz HIAXCXNLMBJVLB-INIZCTEOSA-N 2 1 383.500 2.003 20 0 GEADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822964365 599642112 /nfs/dbraw/zinc/64/21/12/599642112.db2.gz HIAXCXNLMBJVLB-MRXNPFEDSA-N 2 1 383.500 2.003 20 0 GEADMP CC1=C(C(=O)[O-])C[C@@H](C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)O1 ZINC000833576174 605349224 /nfs/dbraw/zinc/34/92/24/605349224.db2.gz HKYFTERTSNCZKU-IBGZPJMESA-N 2 1 379.545 2.262 20 0 GEADMP CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)O1 ZINC000833576174 605349230 /nfs/dbraw/zinc/34/92/30/605349230.db2.gz HKYFTERTSNCZKU-IBGZPJMESA-N 2 1 379.545 2.262 20 0 GEADMP c1ccc(NC[C@H]2CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)nc1 ZINC000823788276 606902030 /nfs/dbraw/zinc/90/20/30/606902030.db2.gz WWQIPIMLIVYVND-MRXNPFEDSA-N 2 1 379.468 2.465 20 0 GEADMP CC[N@@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000501743235 650396915 /nfs/dbraw/zinc/39/69/15/650396915.db2.gz CKORYSDUIWUGCQ-KRWDZBQOSA-N 2 1 398.345 2.060 20 0 GEADMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000501743235 650396918 /nfs/dbraw/zinc/39/69/18/650396918.db2.gz CKORYSDUIWUGCQ-KRWDZBQOSA-N 2 1 398.345 2.060 20 0 GEADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000513884876 650570726 /nfs/dbraw/zinc/57/07/26/650570726.db2.gz GSNICPRZNFBJNV-AEFFLSMTSA-N 2 1 386.323 2.047 20 0 GEADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000513884876 650570729 /nfs/dbraw/zinc/57/07/29/650570729.db2.gz GSNICPRZNFBJNV-AEFFLSMTSA-N 2 1 386.323 2.047 20 0 GEADMP C[C@H](C[NH2+]Cc1ncc(Cl)cc1Br)CN1CC[NH+](C)CC1 ZINC000527650847 650681388 /nfs/dbraw/zinc/68/13/88/650681388.db2.gz AIVAJJYIEXHKQG-GFCCVEGCSA-N 2 1 375.742 2.471 20 0 GEADMP C[NH+](C)C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccc(Cl)c(Cl)c1 ZINC000530032974 650711198 /nfs/dbraw/zinc/71/11/98/650711198.db2.gz YFWNLLXZEPEOAX-IAGOWNOFSA-N 2 1 385.339 2.102 20 0 GEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000070171115 643049709 /nfs/dbraw/zinc/04/97/09/643049709.db2.gz CJWGOZYQHDEPLK-LBPRGKRZSA-N 2 1 387.265 2.291 20 0 GEADMP O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151322208 643937363 /nfs/dbraw/zinc/93/73/63/643937363.db2.gz MGRFTHPBPKCGEC-QGZVFWFLSA-N 2 1 392.297 2.406 20 0 GEADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261854588 645605963 /nfs/dbraw/zinc/60/59/63/645605963.db2.gz JUDVZEBXEQRXMH-YSVLISHTSA-N 2 1 380.330 2.467 20 0 GEADMP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000262263184 645623109 /nfs/dbraw/zinc/62/31/09/645623109.db2.gz XTDHADRDZBYLAP-UHFFFAOYSA-N 2 1 387.311 2.076 20 0 GEADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000262263184 645623112 /nfs/dbraw/zinc/62/31/12/645623112.db2.gz XTDHADRDZBYLAP-UHFFFAOYSA-N 2 1 387.311 2.076 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1ccc(Br)cc1 ZINC000266958239 645867661 /nfs/dbraw/zinc/86/76/61/645867661.db2.gz WEIBQQWVZOOPFT-UHFFFAOYSA-N 2 1 397.361 2.347 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000268839299 645999165 /nfs/dbraw/zinc/99/91/65/645999165.db2.gz FBWOWFZRNXOXRL-HNNXBMFYSA-N 2 1 382.302 2.026 20 0 GEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000280706145 646708010 /nfs/dbraw/zinc/70/80/10/646708010.db2.gz LWNNSYMNFABKAI-RYUDHWBXSA-N 2 1 390.347 2.089 20 0 GEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000280706145 646708014 /nfs/dbraw/zinc/70/80/14/646708014.db2.gz LWNNSYMNFABKAI-RYUDHWBXSA-N 2 1 390.347 2.089 20 0 GEADMP C[C@H]1C[C@H](C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000333104296 647461981 /nfs/dbraw/zinc/46/19/81/647461981.db2.gz FIPLCMPWVCGCBW-UONOGXRCSA-N 2 1 391.990 2.486 20 0 GEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C[NH3+] ZINC000397335296 647898047 /nfs/dbraw/zinc/89/80/47/647898047.db2.gz STZICNUZHQUQFS-UPJWGTAASA-N 2 1 379.302 2.262 20 0 GEADMP C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)[C@H]1CC[NH3+] ZINC000404267415 647907272 /nfs/dbraw/zinc/90/72/72/647907272.db2.gz IJJVSCCDALOTCC-DOMZBBRYSA-N 2 1 379.302 2.406 20 0 GEADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000411669023 648029977 /nfs/dbraw/zinc/02/99/77/648029977.db2.gz PZPNYEXTAZQRKU-CYBMUJFWSA-N 2 1 383.334 2.484 20 0 GEADMP CC[NH2+]CCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417893403 648265067 /nfs/dbraw/zinc/26/50/67/648265067.db2.gz RVJQVCOYSMFIAW-UHFFFAOYSA-N 2 1 383.334 2.322 20 0 GEADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420401609 648415754 /nfs/dbraw/zinc/41/57/54/648415754.db2.gz GVSKYSLPBJXPLG-SNVBAGLBSA-N 2 1 379.810 2.471 20 0 GEADMP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422907235 648576819 /nfs/dbraw/zinc/57/68/19/648576819.db2.gz LEJJFTZWNVETHZ-BLLLJJGKSA-N 2 1 384.318 2.165 20 0 GEADMP COC[C@H](CCC[NH3+])[NH2+]Cc1c(Br)cncc1Br ZINC000423166891 648586112 /nfs/dbraw/zinc/58/61/12/648586112.db2.gz ZSPOLICENQSPQU-VIFPVBQESA-N 2 1 381.112 2.450 20 0 GEADMP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000552089837 651139841 /nfs/dbraw/zinc/13/98/41/651139841.db2.gz XCUGAPOOFRVDIV-NWDGAFQWSA-N 2 1 380.341 2.344 20 0 GEADMP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000552089837 651139847 /nfs/dbraw/zinc/13/98/47/651139847.db2.gz XCUGAPOOFRVDIV-NWDGAFQWSA-N 2 1 380.341 2.344 20 0 GEADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1ccccc1Br ZINC000655733683 652009280 /nfs/dbraw/zinc/00/92/80/652009280.db2.gz PPNQARLYBCWGOH-JKSUJKDBSA-N 2 1 399.329 2.032 20 0 GEADMP OC[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccc(Br)cc1 ZINC000655758667 652010449 /nfs/dbraw/zinc/01/04/49/652010449.db2.gz CZZYNBHSTXKKHY-APWZRJJASA-N 2 1 397.357 2.443 20 0 GEADMP C[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1(C)C ZINC000623515687 652243872 /nfs/dbraw/zinc/24/38/72/652243872.db2.gz LBFAACIUHKXCTQ-ZDUSSCGKSA-N 2 1 377.913 2.220 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1(C)C ZINC000623515687 652243881 /nfs/dbraw/zinc/24/38/81/652243881.db2.gz LBFAACIUHKXCTQ-ZDUSSCGKSA-N 2 1 377.913 2.220 20 0 GEADMP Brc1ccc(CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)s1 ZINC000662257254 652454712 /nfs/dbraw/zinc/45/47/12/652454712.db2.gz BUYSRMACKMJRTL-ZDUSSCGKSA-N 2 1 386.359 2.149 20 0 GEADMP [NH3+][C@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000662387667 652458763 /nfs/dbraw/zinc/45/87/63/652458763.db2.gz UYNUIYLRMWSOIG-KRWDZBQOSA-N 2 1 396.329 2.020 20 0 GEADMP [NH3+][C@H](C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1Br ZINC000662576508 652468459 /nfs/dbraw/zinc/46/84/59/652468459.db2.gz VMUALQODOVWERQ-COXVUDFISA-N 2 1 396.329 2.194 20 0 GEADMP C[NH2+][C@H](C(=O)NCCN(C)CCC[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662630944 652469668 /nfs/dbraw/zinc/46/96/68/652469668.db2.gz JEAXYUDIAYOAFB-INIZCTEOSA-N 2 1 375.344 2.254 20 0 GEADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629560433 652493226 /nfs/dbraw/zinc/49/32/26/652493226.db2.gz YLXMOWVJXRVMBC-HNNXBMFYSA-N 2 1 384.318 2.132 20 0 GEADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629581885 652494038 /nfs/dbraw/zinc/49/40/38/652494038.db2.gz JCDMSTVDYRDCIL-GDBMZVCRSA-N 2 1 380.330 2.449 20 0 GEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000584346342 652517616 /nfs/dbraw/zinc/51/76/16/652517616.db2.gz DIWYZZZFHYEPDK-DFBGVHRSSA-N 2 1 375.282 2.400 20 0 GEADMP COCCc1ncc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000631030617 652518456 /nfs/dbraw/zinc/51/84/56/652518456.db2.gz SPPZXEOVISMUAA-INIZCTEOSA-N 2 1 380.583 2.472 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(Br)cc(F)c1C(N)=O ZINC000664197427 652522882 /nfs/dbraw/zinc/52/28/82/652522882.db2.gz XAWLFNBGRSTSTG-NSHDSACASA-N 2 1 389.313 2.371 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(Br)cc(F)c1C(N)=O ZINC000664197427 652522886 /nfs/dbraw/zinc/52/28/86/652522886.db2.gz XAWLFNBGRSTSTG-NSHDSACASA-N 2 1 389.313 2.371 20 0 GEADMP O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000584830157 652530888 /nfs/dbraw/zinc/53/08/88/652530888.db2.gz LKYJYJXLCSTKDY-CYBMUJFWSA-N 2 1 392.352 2.299 20 0 GEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236613 652549328 /nfs/dbraw/zinc/54/93/28/652549328.db2.gz QTVKBJBZEAGQRS-DYVFJYSZSA-N 2 1 391.313 2.122 20 0 GEADMP O=C(NCC[NH2+]C1CC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000669533924 652705052 /nfs/dbraw/zinc/70/50/52/652705052.db2.gz RLAHBESLSYAOLA-UHFFFAOYSA-N 2 1 395.345 2.465 20 0 GEADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000669927869 652727587 /nfs/dbraw/zinc/72/75/87/652727587.db2.gz CHYSVLJRSSRZHS-TXEJJXNPSA-N 2 1 375.357 2.213 20 0 GEADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000669927869 652727593 /nfs/dbraw/zinc/72/75/93/652727593.db2.gz CHYSVLJRSSRZHS-TXEJJXNPSA-N 2 1 375.357 2.213 20 0 GEADMP CCN1CC[NH+](CCCC[NH2+]Cc2snc(OC)c2Br)CC1 ZINC000638359294 652887000 /nfs/dbraw/zinc/88/70/00/652887000.db2.gz IYNSOPILEGBOLY-UHFFFAOYSA-N 2 1 391.379 2.422 20 0 GEADMP CN(CCC[N@@H+](C)C[C@H](O)c1ccc(F)c(Br)c1)CC[NH+](C)C ZINC000808781753 653235228 /nfs/dbraw/zinc/23/52/28/653235228.db2.gz OHMOALDNPXMQHC-KRWDZBQOSA-N 2 1 390.341 2.437 20 0 GEADMP CC[N@H+](CCOc1ccc(Br)cc1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878133905 653629744 /nfs/dbraw/zinc/62/97/44/653629744.db2.gz CXEPUUDDBCINEK-UHFFFAOYSA-N 2 1 398.345 2.360 20 0 GEADMP CC[N@@H+](CCOc1ccc(Br)cc1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878133905 653629747 /nfs/dbraw/zinc/62/97/47/653629747.db2.gz CXEPUUDDBCINEK-UHFFFAOYSA-N 2 1 398.345 2.360 20 0 GEADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000819043137 653741306 /nfs/dbraw/zinc/74/13/06/653741306.db2.gz PUNJENJPQOHWER-KRWDZBQOSA-N 2 1 398.345 2.015 20 0 GEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843072525 653778758 /nfs/dbraw/zinc/77/87/58/653778758.db2.gz IKJBVTADHDINSZ-PBHICJAKSA-N 2 1 389.309 2.448 20 0 GEADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000884183809 653867013 /nfs/dbraw/zinc/86/70/13/653867013.db2.gz XTWZPGFEISRZJE-DVOMOZLQSA-N 2 1 384.318 2.064 20 0 GEADMP O=C(C[N@H+]1C[C@@H]2CSC[C@@H]2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000886565956 653991742 /nfs/dbraw/zinc/99/17/42/653991742.db2.gz DIYICFJATUKBJT-CALCHBBNSA-N 2 1 377.579 2.469 20 0 GEADMP C[NH+](C)[C@@]1(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CCSC1 ZINC000849096594 654004221 /nfs/dbraw/zinc/00/42/21/654004221.db2.gz XQVMVJFIHSOFJX-GOSISDBHSA-N 2 1 381.977 2.424 20 0 GEADMP C[NH+](C)[C@]1(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CCSC1 ZINC000849096595 654004317 /nfs/dbraw/zinc/00/43/17/654004317.db2.gz XQVMVJFIHSOFJX-SFHVURJKSA-N 2 1 381.977 2.424 20 0 GEADMP COCCC1(NC(=O)c2sc3c(c2Br)C[NH2+]C3)CC[NH2+]CC1 ZINC000868043962 654015873 /nfs/dbraw/zinc/01/58/73/654015873.db2.gz WQFAMHGWYKDEFU-UHFFFAOYSA-N 2 1 388.331 2.002 20 0 GEADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000903427359 654238927 /nfs/dbraw/zinc/23/89/27/654238927.db2.gz XDUMJQOCPYAKBA-QWHCGFSZSA-N 2 1 392.352 2.427 20 0 GEADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000903490694 654240963 /nfs/dbraw/zinc/24/09/63/654240963.db2.gz DLOKCUXBZXQXKL-BFCNOCSMSA-N 2 1 386.279 2.144 20 0 GEADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000903490694 654240972 /nfs/dbraw/zinc/24/09/72/654240972.db2.gz DLOKCUXBZXQXKL-BFCNOCSMSA-N 2 1 386.279 2.144 20 0 GEADMP O=S(=O)(Cc1ccccc1Cl)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562443 654256607 /nfs/dbraw/zinc/25/66/07/654256607.db2.gz NOPMCWQOUKFUIH-CALCHBBNSA-N 2 1 383.945 2.070 20 0 GEADMP O=S(=O)(Cc1ccccc1Cl)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562443 654256610 /nfs/dbraw/zinc/25/66/10/654256610.db2.gz NOPMCWQOUKFUIH-CALCHBBNSA-N 2 1 383.945 2.070 20 0 GEADMP C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717883 654281100 /nfs/dbraw/zinc/28/11/00/654281100.db2.gz FHKZUVUDLVRCRT-SUMWQHHRSA-N 2 1 382.302 2.088 20 0 GEADMP C[N@H+](CC(=O)Nc1ccccc1Br)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717883 654281106 /nfs/dbraw/zinc/28/11/06/654281106.db2.gz FHKZUVUDLVRCRT-SUMWQHHRSA-N 2 1 382.302 2.088 20 0 GEADMP C[C@H](C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(Br)c1 ZINC000872255641 654320510 /nfs/dbraw/zinc/32/05/10/654320510.db2.gz KQTWGLCGKUDADU-ZFVVBOAOSA-N 2 1 394.313 2.420 20 0 GEADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@@H]3C[C@@]3(C)Br)cc2)CC1 ZINC000892582808 654352792 /nfs/dbraw/zinc/35/27/92/654352792.db2.gz MXCACPZZJCGUHW-FUHWJXTLSA-N 2 1 380.330 2.337 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000855346244 654414282 /nfs/dbraw/zinc/41/42/82/654414282.db2.gz SWVZGMIZBCZFIA-BLLLJJGKSA-N 2 1 376.328 2.415 20 0 GEADMP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923283756 654441644 /nfs/dbraw/zinc/44/16/44/654441644.db2.gz YBAXXZURXYPODX-IUODEOHRSA-N 2 1 375.282 2.259 20 0 GEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923283756 654441647 /nfs/dbraw/zinc/44/16/47/654441647.db2.gz YBAXXZURXYPODX-IUODEOHRSA-N 2 1 375.282 2.259 20 0 GEADMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923283757 654441756 /nfs/dbraw/zinc/44/17/56/654441756.db2.gz YBAXXZURXYPODX-SWLSCSKDSA-N 2 1 375.282 2.259 20 0 GEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923283757 654441762 /nfs/dbraw/zinc/44/17/62/654441762.db2.gz YBAXXZURXYPODX-SWLSCSKDSA-N 2 1 375.282 2.259 20 0 GEADMP C[N@@H+]1CC[C@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000923634249 654472936 /nfs/dbraw/zinc/47/29/36/654472936.db2.gz LGKASNSLPLMNLR-JKIFEVAISA-N 2 1 389.924 2.143 20 0 GEADMP C[N@H+]1CC[C@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000923634249 654472940 /nfs/dbraw/zinc/47/29/40/654472940.db2.gz LGKASNSLPLMNLR-JKIFEVAISA-N 2 1 389.924 2.143 20 0 GEADMP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925566072 654546023 /nfs/dbraw/zinc/54/60/23/654546023.db2.gz CRLYIODQZRAINU-INIZCTEOSA-N 2 1 396.329 2.452 20 0 GEADMP [NH3+][C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)C12CCC2 ZINC000925666533 654547319 /nfs/dbraw/zinc/54/73/19/654547319.db2.gz LXALUACMEDGBGO-QWHCGFSZSA-N 2 1 385.249 2.089 20 0 GEADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC[S@@](=O)C(F)(F)F)CC2)CC1 ZINC000929810854 654692396 /nfs/dbraw/zinc/69/23/96/654692396.db2.gz ZQFMHOSUBQAHJM-RUZDIDTESA-N 2 1 383.524 2.383 20 0 GEADMP C[N@H+](CCC1CCN(C2CC[NH+](C)CC2)CC1)CC[S@@](=O)C(F)(F)F ZINC000929810854 654692398 /nfs/dbraw/zinc/69/23/98/654692398.db2.gz ZQFMHOSUBQAHJM-RUZDIDTESA-N 2 1 383.524 2.383 20 0 GEADMP C[N@@H+](CCC1CCN(C2CC[NH+](C)CC2)CC1)CC[S@@](=O)C(F)(F)F ZINC000929810854 654692400 /nfs/dbraw/zinc/69/24/00/654692400.db2.gz ZQFMHOSUBQAHJM-RUZDIDTESA-N 2 1 383.524 2.383 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000932204953 654770113 /nfs/dbraw/zinc/77/01/13/654770113.db2.gz AWIQRQUIUJMYQK-HNNXBMFYSA-N 2 1 382.302 2.026 20 0 GEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)COc3cc(F)cc(Br)c3)C[C@]2(C)C1 ZINC000933733052 654822291 /nfs/dbraw/zinc/82/22/91/654822291.db2.gz ZTWBTYHCDITLCK-PVUWLOKVSA-N 2 1 387.293 2.211 20 0 GEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)COc3cc(F)cc(Br)c3)C[C@]2(C)C1 ZINC000933733052 654822293 /nfs/dbraw/zinc/82/22/93/654822293.db2.gz ZTWBTYHCDITLCK-PVUWLOKVSA-N 2 1 387.293 2.211 20 0 GEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C[C@]2(C)C1 ZINC000933733052 654822294 /nfs/dbraw/zinc/82/22/94/654822294.db2.gz ZTWBTYHCDITLCK-PVUWLOKVSA-N 2 1 387.293 2.211 20 0 GEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C[C@]2(C)C1 ZINC000933733052 654822296 /nfs/dbraw/zinc/82/22/96/654822296.db2.gz ZTWBTYHCDITLCK-PVUWLOKVSA-N 2 1 387.293 2.211 20 0 GEADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CO)c1ccccc1I ZINC000934827439 654861960 /nfs/dbraw/zinc/86/19/60/654861960.db2.gz WBCCWSCEALVPEI-OAHLLOKOSA-N 2 1 385.249 2.281 20 0 GEADMP COC(=O)c1c(Cl)ccnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682539 719605996 /nfs/dbraw/zinc/60/59/96/719605996.db2.gz DRFGKCPRYYMEAV-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COC(=O)c1c(Cl)ccnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682539 719606000 /nfs/dbraw/zinc/60/60/00/719606000.db2.gz DRFGKCPRYYMEAV-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3ncsc32)c2c1CC[NH2+]C2 ZINC001164684639 719623451 /nfs/dbraw/zinc/62/34/51/719623451.db2.gz VQUPINGPABBCHW-UHFFFAOYSA-N 2 1 377.905 2.411 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3ncsc32)c2c1CC[NH2+]C2 ZINC001164684639 719623459 /nfs/dbraw/zinc/62/34/59/719623459.db2.gz VQUPINGPABBCHW-UHFFFAOYSA-N 2 1 377.905 2.411 20 0 GEADMP COc1nc(-c2ccccc2)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164681584 719626959 /nfs/dbraw/zinc/62/69/59/719626959.db2.gz INENNBOQAJXNPT-UHFFFAOYSA-N 2 1 393.495 2.219 20 0 GEADMP COc1nc(-c2ccccc2)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164681584 719626966 /nfs/dbraw/zinc/62/69/66/719626966.db2.gz INENNBOQAJXNPT-UHFFFAOYSA-N 2 1 393.495 2.219 20 0 GEADMP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164833020 720320890 /nfs/dbraw/zinc/32/08/90/720320890.db2.gz VSKBWVOVYIHINY-ZWKOTPCHSA-N 2 1 396.539 2.486 20 0 GEADMP CN(C)c1cccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164752590 720813946 /nfs/dbraw/zinc/81/39/46/720813946.db2.gz ZHCJFADWIIXHPP-GUDVDZBRSA-N 2 1 381.528 2.119 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH]1 ZINC001164737416 720821422 /nfs/dbraw/zinc/82/14/22/720821422.db2.gz AYPLANNFUQQVJL-ZHALLVOQSA-N 2 1 392.511 2.237 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH]1 ZINC001164737416 720821425 /nfs/dbraw/zinc/82/14/25/720821425.db2.gz AYPLANNFUQQVJL-ZHALLVOQSA-N 2 1 392.511 2.237 20 0 GEADMP CN(C)c1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164738383 720827192 /nfs/dbraw/zinc/82/71/92/720827192.db2.gz FEIMAPBGKDTFSX-MISYRCLQSA-N 2 1 381.528 2.119 20 0 GEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(OC3CC[NH2+]CC3)nn1)[C@@H]2C ZINC001164859036 721005702 /nfs/dbraw/zinc/00/57/02/721005702.db2.gz KNDAOTLQWXYNJK-MRXNPFEDSA-N 2 1 399.543 2.225 20 0 GEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)nc5c4CC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164772319 721185428 /nfs/dbraw/zinc/18/54/28/721185428.db2.gz SBCOOUUOUVFJPA-HOTGVXAUSA-N 2 1 386.931 2.073 20 0 GEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)C[C@H]3C2)cn1 ZINC001164773911 721195458 /nfs/dbraw/zinc/19/54/58/721195458.db2.gz YHEZWUDWZQAAKK-NHCUHLMSSA-N 2 1 380.540 2.369 20 0 GEADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(N5CCCC5)cc[nH+]4)C3)O2)CC1 ZINC001164885613 721423245 /nfs/dbraw/zinc/42/32/45/721423245.db2.gz GTPOBSZWMZGCKU-FYYLOGMGSA-N 2 1 399.583 2.447 20 0 GEADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(n1)CC[NH2+]C3)C2 ZINC001164907945 721748923 /nfs/dbraw/zinc/74/89/23/721748923.db2.gz DQKPVDVWGUCNIL-UHFFFAOYSA-N 2 1 390.491 2.305 20 0 GEADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(n1)CC[NH2+]C3)C2 ZINC001164907945 721748927 /nfs/dbraw/zinc/74/89/27/721748927.db2.gz DQKPVDVWGUCNIL-UHFFFAOYSA-N 2 1 390.491 2.305 20 0 GEADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981447 722104759 /nfs/dbraw/zinc/10/47/59/722104759.db2.gz LNFHJJOMHBETSP-MJGOQNOKSA-N 2 1 378.480 2.091 20 0 GEADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981447 722104761 /nfs/dbraw/zinc/10/47/61/722104761.db2.gz LNFHJJOMHBETSP-MJGOQNOKSA-N 2 1 378.480 2.091 20 0 GEADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120644631 531985369 /nfs/dbraw/zinc/98/53/69/531985369.db2.gz OXOUUDGRYBGXGA-KSSFIOAISA-N 2 1 393.329 2.391 20 0 GEADMP O=C(CC[N@H+]1CC[C@H](CN2CCOCC2)C1)Nc1ccccc1Br ZINC000129678315 532182184 /nfs/dbraw/zinc/18/21/84/532182184.db2.gz ZLROJPZNSFCHJX-HNNXBMFYSA-N 2 1 396.329 2.432 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000178673898 532209270 /nfs/dbraw/zinc/20/92/70/532209270.db2.gz DPGCIPBCUFAHQR-MRXNPFEDSA-N 2 1 396.329 2.417 20 0 GEADMP O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178955172 532218364 /nfs/dbraw/zinc/21/83/64/532218364.db2.gz AFXKXYLPCPINLM-UHFFFAOYSA-N 2 1 392.352 2.299 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000182959577 532319951 /nfs/dbraw/zinc/31/99/51/532319951.db2.gz QVYHFGVJSLQGFK-OAHLLOKOSA-N 2 1 390.355 2.302 20 0 GEADMP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)CC1 ZINC000187123469 532343321 /nfs/dbraw/zinc/34/33/21/532343321.db2.gz OBMNAMBWONHGFR-OAHLLOKOSA-N 2 1 387.977 2.249 20 0 GEADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000562381251 532463673 /nfs/dbraw/zinc/46/36/73/532463673.db2.gz AOZAPBHSRSSITN-NWDGAFQWSA-N 2 1 390.347 2.089 20 0 GEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000562381251 532463676 /nfs/dbraw/zinc/46/36/76/532463676.db2.gz AOZAPBHSRSSITN-NWDGAFQWSA-N 2 1 390.347 2.089 20 0 GEADMP O[C@H](C[NH2+][C@@H]1CCc2ccc(I)cc21)C[NH+]1CCCC1 ZINC000595017260 532541177 /nfs/dbraw/zinc/54/11/77/532541177.db2.gz LEQIQYYEXUQDSW-GDBMZVCRSA-N 2 1 386.277 2.325 20 0 GEADMP CC[N@H+]1CC[C@@H](CNCc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000296582454 532528983 /nfs/dbraw/zinc/52/89/83/532528983.db2.gz WXIWQSSWPMTGEH-KBPBESRZSA-N 2 1 398.345 2.394 20 0 GEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000296582454 532528989 /nfs/dbraw/zinc/52/89/89/532528989.db2.gz WXIWQSSWPMTGEH-KBPBESRZSA-N 2 1 398.345 2.394 20 0 GEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000296582454 532528994 /nfs/dbraw/zinc/52/89/94/532528994.db2.gz WXIWQSSWPMTGEH-KBPBESRZSA-N 2 1 398.345 2.394 20 0 GEADMP Brc1ccc(-c2c[nH]c(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000262181483 532586846 /nfs/dbraw/zinc/58/68/46/532586846.db2.gz WWMYRRJJAVOKQC-INIZCTEOSA-N 2 1 390.329 2.319 20 0 GEADMP Brc1ccc(-c2c[nH]c(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000262181483 532586851 /nfs/dbraw/zinc/58/68/51/532586851.db2.gz WWMYRRJJAVOKQC-INIZCTEOSA-N 2 1 390.329 2.319 20 0 GEADMP COC(=O)c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(Br)c1 ZINC000284176229 532579061 /nfs/dbraw/zinc/57/90/61/532579061.db2.gz AGDDLANXDHAFQG-UHFFFAOYSA-N 2 1 398.345 2.351 20 0 GEADMP COc1c(Br)cccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000435371960 532614951 /nfs/dbraw/zinc/61/49/51/532614951.db2.gz PHAWFORRLIJSQW-OAHLLOKOSA-N 2 1 396.329 2.102 20 0 GEADMP Fc1cccc(Br)c1CN[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000376569400 532618962 /nfs/dbraw/zinc/61/89/62/532618962.db2.gz GKMKVPTVWZRJGV-CQSZACIVSA-N 2 1 386.309 2.084 20 0 GEADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000566732559 532626037 /nfs/dbraw/zinc/62/60/37/532626037.db2.gz BTTQJSNYDCIFSQ-RDTXWAMCSA-N 2 1 382.346 2.320 20 0 GEADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000566732559 532626042 /nfs/dbraw/zinc/62/60/42/532626042.db2.gz BTTQJSNYDCIFSQ-RDTXWAMCSA-N 2 1 382.346 2.320 20 0 GEADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000532152546 532646500 /nfs/dbraw/zinc/64/65/00/532646500.db2.gz OCDOFDBRAYAEFV-HNNXBMFYSA-N 2 1 380.330 2.481 20 0 GEADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000532152546 532646505 /nfs/dbraw/zinc/64/65/05/532646505.db2.gz OCDOFDBRAYAEFV-HNNXBMFYSA-N 2 1 380.330 2.481 20 0 GEADMP O=C(NCC[NH+]1CCSCC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000264911447 532683624 /nfs/dbraw/zinc/68/36/24/532683624.db2.gz WZMZSDSTSNDFTG-UHFFFAOYSA-N 2 1 382.599 2.308 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)nc1 ZINC000266935348 532729671 /nfs/dbraw/zinc/72/96/71/532729671.db2.gz OLKWSXTZOBVRHF-OAHLLOKOSA-N 2 1 383.334 2.332 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442792007 532735314 /nfs/dbraw/zinc/73/53/14/532735314.db2.gz PHNDQXOFAQRJRG-GRYCIOLGSA-N 2 1 387.265 2.287 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442792007 532735318 /nfs/dbraw/zinc/73/53/18/532735318.db2.gz PHNDQXOFAQRJRG-GRYCIOLGSA-N 2 1 387.265 2.287 20 0 GEADMP [NH3+]C[C@H]1C[N@H+](CCCOc2cccc(I)c2)CCCO1 ZINC000415107161 532837759 /nfs/dbraw/zinc/83/77/59/532837759.db2.gz KOCMDMJRPJLNLO-HNNXBMFYSA-N 2 1 390.265 2.110 20 0 GEADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2cccc(I)c2)CCCO1 ZINC000415107161 532837761 /nfs/dbraw/zinc/83/77/61/532837761.db2.gz KOCMDMJRPJLNLO-HNNXBMFYSA-N 2 1 390.265 2.110 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(I)c1 ZINC000289423298 532854220 /nfs/dbraw/zinc/85/42/20/532854220.db2.gz JKWUGJNVCSBLME-UHFFFAOYSA-N 2 1 387.309 2.361 20 0 GEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000423099193 532893933 /nfs/dbraw/zinc/89/39/33/532893933.db2.gz FDPOSZNIKGESBA-FZMZJTMJSA-N 2 1 387.265 2.207 20 0 GEADMP Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000275356255 570691196 /nfs/dbraw/zinc/69/11/96/570691196.db2.gz ANLGMRFDRTZSEF-IRLDBZIGSA-N 2 1 381.524 2.037 20 0 GEADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736453004 598916770 /nfs/dbraw/zinc/91/67/70/598916770.db2.gz JIIYXFUVLDXDIA-UHFFFAOYSA-N 2 1 385.516 2.249 20 0 GEADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736453004 598916772 /nfs/dbraw/zinc/91/67/72/598916772.db2.gz JIIYXFUVLDXDIA-UHFFFAOYSA-N 2 1 385.516 2.249 20 0 GEADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735892723 598505207 /nfs/dbraw/zinc/50/52/07/598505207.db2.gz MEJXBQBUMSABAP-UHFFFAOYSA-N 2 1 391.907 2.311 20 0 GEADMP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(-c4nn[nH]n4)o3)CC2)c1 ZINC000822309345 599402860 /nfs/dbraw/zinc/40/28/60/599402860.db2.gz VHRQIJPGNNFSMZ-UHFFFAOYSA-N 2 1 395.511 2.460 20 0 GEADMP c1cc(-c2nn[nH]n2)oc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000823788256 599410268 /nfs/dbraw/zinc/41/02/68/599410268.db2.gz WETSGYGLZLNQFN-UHFFFAOYSA-N 2 1 381.484 2.152 20 0 GEADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737844860 599590063 /nfs/dbraw/zinc/59/00/63/599590063.db2.gz WUIDPSFLBLDYHB-MRXNPFEDSA-N 2 1 383.500 2.146 20 0 GEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821159945 599643735 /nfs/dbraw/zinc/64/37/35/599643735.db2.gz DWUDWNLTAYBMEW-CYBMUJFWSA-N 2 1 391.907 2.122 20 0 GEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821159945 599643736 /nfs/dbraw/zinc/64/37/36/599643736.db2.gz DWUDWNLTAYBMEW-CYBMUJFWSA-N 2 1 391.907 2.122 20 0 GEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821159945 599643737 /nfs/dbraw/zinc/64/37/37/599643737.db2.gz DWUDWNLTAYBMEW-CYBMUJFWSA-N 2 1 391.907 2.122 20 0 GEADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623858 607171964 /nfs/dbraw/zinc/17/19/64/607171964.db2.gz UQDIIKHRSXALPU-HKUYNNGSSA-N 2 1 378.484 2.104 20 0 GEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623858 607171965 /nfs/dbraw/zinc/17/19/65/607171965.db2.gz UQDIIKHRSXALPU-HKUYNNGSSA-N 2 1 378.484 2.104 20 0 GEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623858 607171966 /nfs/dbraw/zinc/17/19/66/607171966.db2.gz UQDIIKHRSXALPU-HKUYNNGSSA-N 2 1 378.484 2.104 20 0 GEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623858 607171967 /nfs/dbraw/zinc/17/19/67/607171967.db2.gz UQDIIKHRSXALPU-HKUYNNGSSA-N 2 1 378.484 2.104 20 0 GEADMP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826515778 608858957 /nfs/dbraw/zinc/85/89/57/608858957.db2.gz KOFOUUZTBJHTNK-KDURUIRLSA-N 2 1 376.464 2.097 20 0 GEADMP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826515778 608858959 /nfs/dbraw/zinc/85/89/59/608858959.db2.gz KOFOUUZTBJHTNK-KDURUIRLSA-N 2 1 376.464 2.097 20 0 GEADMP c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c2)c1 ZINC000826515849 608859672 /nfs/dbraw/zinc/85/96/72/608859672.db2.gz NJNRSZSSHVSQLX-QZTJIDSGSA-N 2 1 376.464 2.097 20 0 GEADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000825460011 609326605 /nfs/dbraw/zinc/32/66/05/609326605.db2.gz QDBDHCGYJDHQGB-OAHLLOKOSA-N 2 1 375.496 2.074 20 0 GEADMP CC(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824261897 609336862 /nfs/dbraw/zinc/33/68/62/609336862.db2.gz TXEYUENWTQFKMY-UHFFFAOYSA-N 2 1 394.527 2.477 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(SC)c1 ZINC000509346235 650493824 /nfs/dbraw/zinc/49/38/24/650493824.db2.gz SQBQHDBYWNQUJW-MRXNPFEDSA-N 2 1 385.599 2.445 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(SC)c1 ZINC000509346232 650493845 /nfs/dbraw/zinc/49/38/45/650493845.db2.gz SQBQHDBYWNQUJW-INIZCTEOSA-N 2 1 385.599 2.445 20 0 GEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510927560 650521134 /nfs/dbraw/zinc/52/11/34/650521134.db2.gz IBYONMMWBXNQLZ-LALPHHSUSA-N 2 1 377.913 2.076 20 0 GEADMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1ccc(Cl)cc1Cl ZINC000514861658 650581553 /nfs/dbraw/zinc/58/15/53/650581553.db2.gz NOEYYKTZHKEHQS-OAHLLOKOSA-N 2 1 377.312 2.170 20 0 GEADMP COC(=O)c1nn(CN(C)CCCn2cc[nH+]c2C)c(C)c1Br ZINC000162822958 644241963 /nfs/dbraw/zinc/24/19/63/644241963.db2.gz FPJPRDJXYQOQNI-UHFFFAOYSA-N 2 1 384.278 2.225 20 0 GEADMP O=C(CC[N@H+](Cc1cc(Br)ccc1F)C1CC1)N1CC[NH2+]CC1 ZINC000262243019 645622068 /nfs/dbraw/zinc/62/20/68/645622068.db2.gz WFVBGCDKPFHXCT-UHFFFAOYSA-N 2 1 384.293 2.375 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000333095676 647461369 /nfs/dbraw/zinc/46/13/69/647461369.db2.gz CZVCAXWDGFHCRC-MRXNPFEDSA-N 2 1 396.329 2.463 20 0 GEADMP C[C@@H]1C[C@H](C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000333104299 647461804 /nfs/dbraw/zinc/46/18/04/647461804.db2.gz FIPLCMPWVCGCBW-ZIAGYGMSSA-N 2 1 391.990 2.486 20 0 GEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000333104292 647461940 /nfs/dbraw/zinc/46/19/40/647461940.db2.gz FIPLCMPWVCGCBW-KGLIPLIRSA-N 2 1 391.990 2.486 20 0 GEADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3CCS(=O)(=O)CC3)CC2)cs1 ZINC000364463426 647627486 /nfs/dbraw/zinc/62/74/86/647627486.db2.gz FHIQFCBQZRBUMJ-AWEZNQCLSA-N 2 1 385.599 2.466 20 0 GEADMP C[N@H+]1CC[C@@H](CNS(=O)(=O)CC[NH+]2CCCC2)[C@@H]1c1cccc(Cl)c1 ZINC000365110184 647659506 /nfs/dbraw/zinc/65/95/06/647659506.db2.gz LINHYDRZWBTNDI-WMZOPIPTSA-N 2 1 385.961 2.348 20 0 GEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C[C@H]21 ZINC000391428248 647893620 /nfs/dbraw/zinc/89/36/20/647893620.db2.gz JLRJRYQMNGGLRX-NILFDRSVSA-N 2 1 377.286 2.016 20 0 GEADMP [NH3+][C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000417895300 648265214 /nfs/dbraw/zinc/26/52/14/648265214.db2.gz URADIBNZBGUQCR-OAHLLOKOSA-N 2 1 381.318 2.156 20 0 GEADMP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000420350443 648413484 /nfs/dbraw/zinc/41/34/84/648413484.db2.gz SVDSKODFJCARPM-HIFRSBDPSA-N 2 1 385.339 2.150 20 0 GEADMP C[C@@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000420350443 648413488 /nfs/dbraw/zinc/41/34/88/648413488.db2.gz SVDSKODFJCARPM-HIFRSBDPSA-N 2 1 385.339 2.150 20 0 GEADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCOc3cc(F)cc(Br)c3)C2)nn1 ZINC000420369685 648414701 /nfs/dbraw/zinc/41/47/01/648414701.db2.gz BYLADISKTQXSLF-OAHLLOKOSA-N 2 1 398.280 2.354 20 0 GEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442887918 648851692 /nfs/dbraw/zinc/85/16/92/648851692.db2.gz CAYQBHFXJIVDBS-JMSVASOKSA-N 2 1 377.913 2.076 20 0 GEADMP [NH3+]CC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000443057852 648858502 /nfs/dbraw/zinc/85/85/02/648858502.db2.gz IJGIUGASMWUYCV-ZDUSSCGKSA-N 2 1 375.332 2.284 20 0 GEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000443057852 648858505 /nfs/dbraw/zinc/85/85/05/648858505.db2.gz IJGIUGASMWUYCV-ZDUSSCGKSA-N 2 1 375.332 2.284 20 0 GEADMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000552089839 651139877 /nfs/dbraw/zinc/13/98/77/651139877.db2.gz XCUGAPOOFRVDIV-VXGBXAGGSA-N 2 1 380.341 2.344 20 0 GEADMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000552089839 651139882 /nfs/dbraw/zinc/13/98/82/651139882.db2.gz XCUGAPOOFRVDIV-VXGBXAGGSA-N 2 1 380.341 2.344 20 0 GEADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cccc(I)c1 ZINC000603435287 651492176 /nfs/dbraw/zinc/49/21/76/651492176.db2.gz XISLDMNNRBFKFQ-BIMULSAOSA-N 2 1 387.265 2.334 20 0 GEADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(O)c2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000563137686 651511987 /nfs/dbraw/zinc/51/19/87/651511987.db2.gz DWYPSFOAFGNWKR-ZFWWWQNUSA-N 2 1 396.329 2.235 20 0 GEADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(O)c2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000563137686 651511990 /nfs/dbraw/zinc/51/19/90/651511990.db2.gz DWYPSFOAFGNWKR-ZFWWWQNUSA-N 2 1 396.329 2.235 20 0 GEADMP CC1CC[NH+](C[C@H](O)C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000570082390 651745607 /nfs/dbraw/zinc/74/56/07/651745607.db2.gz ZIGRVWBMGXOUAE-QGZVFWFLSA-N 2 1 398.345 2.460 20 0 GEADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)C1 ZINC000734487198 651746278 /nfs/dbraw/zinc/74/62/78/651746278.db2.gz MYQKZBLOEHLLPW-MSOLQXFVSA-N 2 1 382.346 2.194 20 0 GEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)C1 ZINC000734487198 651746283 /nfs/dbraw/zinc/74/62/83/651746283.db2.gz MYQKZBLOEHLLPW-MSOLQXFVSA-N 2 1 382.346 2.194 20 0 GEADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647493101 651748375 /nfs/dbraw/zinc/74/83/75/651748375.db2.gz UPLUBNYREBVHJZ-UHFFFAOYSA-N 2 1 392.345 2.280 20 0 GEADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647493101 651748378 /nfs/dbraw/zinc/74/83/78/651748378.db2.gz UPLUBNYREBVHJZ-UHFFFAOYSA-N 2 1 392.345 2.280 20 0 GEADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)COc1ccc(Cl)c(Cl)c1 ZINC000647517808 651749538 /nfs/dbraw/zinc/74/95/38/651749538.db2.gz GGCRUXQJTBORCF-ZIAGYGMSSA-N 2 1 377.312 2.170 20 0 GEADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000647836221 651762569 /nfs/dbraw/zinc/76/25/69/651762569.db2.gz QQHONWMNVASMBZ-UHFFFAOYSA-N 2 1 390.329 2.243 20 0 GEADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(Br)cn1 ZINC000649417967 651825534 /nfs/dbraw/zinc/82/55/34/651825534.db2.gz RLPPUJHHWVSFKQ-UONOGXRCSA-N 2 1 381.318 2.494 20 0 GEADMP Cc1nn(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1Br ZINC000657595707 652177321 /nfs/dbraw/zinc/17/73/21/652177321.db2.gz JLWJXISLRSFHPO-MRXNPFEDSA-N 2 1 393.329 2.347 20 0 GEADMP Cc1nn(C)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1Br ZINC000657595707 652177337 /nfs/dbraw/zinc/17/73/37/652177337.db2.gz JLWJXISLRSFHPO-MRXNPFEDSA-N 2 1 393.329 2.347 20 0 GEADMP CN(C)C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000625982464 652377992 /nfs/dbraw/zinc/37/79/92/652377992.db2.gz AFUBGASIVMZTAS-KRWDZBQOSA-N 2 1 387.355 2.350 20 0 GEADMP Ic1ccccc1[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000582003966 652431368 /nfs/dbraw/zinc/43/13/68/652431368.db2.gz WKDBVYAKQOQLPX-INIZCTEOSA-N 2 1 385.293 2.333 20 0 GEADMP [NH3+][C@@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1Br ZINC000662397625 652459123 /nfs/dbraw/zinc/45/91/23/652459123.db2.gz IVHYLNPWUYHFQF-MRXNPFEDSA-N 2 1 377.286 2.140 20 0 GEADMP O=C(NCCC[NH2+]Cc1cccnc1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662397535 652459130 /nfs/dbraw/zinc/45/91/30/652459130.db2.gz FLWAWDAHMCSZQI-UHFFFAOYSA-N 2 1 395.326 2.419 20 0 GEADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662488512 652464100 /nfs/dbraw/zinc/46/41/00/652464100.db2.gz QARWEQILFLGUPY-KRWDZBQOSA-N 2 1 398.345 2.455 20 0 GEADMP [NH3+][C@@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccccc1Br ZINC000662764532 652473577 /nfs/dbraw/zinc/47/35/77/652473577.db2.gz QKOAFUYDVPFJLD-MEDUHNTESA-N 2 1 375.270 2.299 20 0 GEADMP COCCc1ncc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000631030618 652518398 /nfs/dbraw/zinc/51/83/98/652518398.db2.gz SPPZXEOVISMUAA-MRXNPFEDSA-N 2 1 380.583 2.472 20 0 GEADMP C[C@H](CCNC(=O)c1sc2c(c1I)C[NH2+]C2)[NH+](C)C ZINC000595959409 652743656 /nfs/dbraw/zinc/74/36/56/652743656.db2.gz DMNGYUWFTGTCOC-MRVPVSSYSA-N 2 1 393.294 2.026 20 0 GEADMP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000638601289 652898719 /nfs/dbraw/zinc/89/87/19/652898719.db2.gz DAKRDRBYEUVRDH-MRXNPFEDSA-N 2 1 396.329 2.162 20 0 GEADMP CN1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1c1ccc(Br)cc1 ZINC000639049072 652917465 /nfs/dbraw/zinc/91/74/65/652917465.db2.gz HKPROKZDYHYGBH-BZSNNMDCSA-N 2 1 382.346 2.241 20 0 GEADMP CN1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1c1ccc(Br)cc1 ZINC000639049072 652917471 /nfs/dbraw/zinc/91/74/71/652917471.db2.gz HKPROKZDYHYGBH-BZSNNMDCSA-N 2 1 382.346 2.241 20 0 GEADMP C[C@H]1C[N@@H+](C[C@H](O)c2ccc(Br)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878323575 653634402 /nfs/dbraw/zinc/63/44/02/653634402.db2.gz ACXPQRPGVUYXQE-SNRMKQJTSA-N 2 1 396.373 2.440 20 0 GEADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCc2ccccc2Br)CC1 ZINC000878337758 653635076 /nfs/dbraw/zinc/63/50/76/653635076.db2.gz HFFPUXJQRXIHJV-UHFFFAOYSA-N 2 1 383.330 2.151 20 0 GEADMP C[NH+](C)C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000879052615 653657005 /nfs/dbraw/zinc/65/70/05/653657005.db2.gz ALRRPJQVBFUEMZ-QGZVFWFLSA-N 2 1 387.355 2.396 20 0 GEADMP COCC[N@@H+](CC(=O)Nc1ccc(Br)cn1)CC1CC[NH+](C)CC1 ZINC000879126544 653659847 /nfs/dbraw/zinc/65/98/47/653659847.db2.gz ZFJBYUBMKOIECM-UHFFFAOYSA-N 2 1 399.333 2.073 20 0 GEADMP COCC[N@H+](CC(=O)Nc1ccc(Br)cn1)CC1CC[NH+](C)CC1 ZINC000879126544 653659848 /nfs/dbraw/zinc/65/98/48/653659848.db2.gz ZFJBYUBMKOIECM-UHFFFAOYSA-N 2 1 399.333 2.073 20 0 GEADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819042802 653741268 /nfs/dbraw/zinc/74/12/68/653741268.db2.gz MDBHWCWMEIVORG-QGZVFWFLSA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000819044019 653741413 /nfs/dbraw/zinc/74/14/13/653741413.db2.gz XRJARDLHDFVZJM-KRWDZBQOSA-N 2 1 398.345 2.015 20 0 GEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000843100655 653779333 /nfs/dbraw/zinc/77/93/33/653779333.db2.gz DWOBLDCEVQQKHG-PBHICJAKSA-N 2 1 391.325 2.478 20 0 GEADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)C2 ZINC000843111504 653779724 /nfs/dbraw/zinc/77/97/24/653779724.db2.gz FLTOLUOHWDNUKO-SCLBCKFNSA-N 2 1 394.313 2.127 20 0 GEADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)C2 ZINC000843116144 653779982 /nfs/dbraw/zinc/77/99/82/653779982.db2.gz WDNRWDYHFPJRHK-YJBOKZPZSA-N 2 1 394.313 2.127 20 0 GEADMP O=c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nc2ccc(Br)cn12 ZINC000843364234 653785657 /nfs/dbraw/zinc/78/56/57/653785657.db2.gz VNBBXEMFVUTYAO-UHFFFAOYSA-N 2 1 377.286 2.033 20 0 GEADMP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714051 653814153 /nfs/dbraw/zinc/81/41/53/653814153.db2.gz DXEUYCTVJPMURA-KSYCFECVSA-N 2 1 380.286 2.377 20 0 GEADMP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714051 653814158 /nfs/dbraw/zinc/81/41/58/653814158.db2.gz DXEUYCTVJPMURA-KSYCFECVSA-N 2 1 380.286 2.377 20 0 GEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)s1 ZINC000897540987 653926055 /nfs/dbraw/zinc/92/60/55/653926055.db2.gz HULNUHKLLULGKF-UHFFFAOYSA-N 2 1 377.501 2.497 20 0 GEADMP [NH2+]=C(NC/C=C\c1ccc(Br)cc1)NCCC[NH+]1CCOCC1 ZINC000849114696 654004981 /nfs/dbraw/zinc/00/49/81/654004981.db2.gz RADUPCAFQFXCHP-IWQZZHSRSA-N 2 1 381.318 2.299 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000849116681 654005300 /nfs/dbraw/zinc/00/53/00/654005300.db2.gz SOOQRLSKFPUFTA-OAHLLOKOSA-N 2 1 386.949 2.232 20 0 GEADMP C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717882 654280968 /nfs/dbraw/zinc/28/09/68/654280968.db2.gz FHKZUVUDLVRCRT-GUYCJALGSA-N 2 1 382.302 2.088 20 0 GEADMP C[N@H+](CC(=O)Nc1ccccc1Br)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717882 654280970 /nfs/dbraw/zinc/28/09/70/654280970.db2.gz FHKZUVUDLVRCRT-GUYCJALGSA-N 2 1 382.302 2.088 20 0 GEADMP C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717880 654281023 /nfs/dbraw/zinc/28/10/23/654281023.db2.gz FHKZUVUDLVRCRT-CXAGYDPISA-N 2 1 382.302 2.088 20 0 GEADMP C[N@H+](CC(=O)Nc1ccccc1Br)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717880 654281029 /nfs/dbraw/zinc/28/10/29/654281029.db2.gz FHKZUVUDLVRCRT-CXAGYDPISA-N 2 1 382.302 2.088 20 0 GEADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000904334402 654307910 /nfs/dbraw/zinc/30/79/10/654307910.db2.gz VAONCYFLZMUPNU-TXEJJXNPSA-N 2 1 378.325 2.037 20 0 GEADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(S(C)(=O)=O)s3)C2)[C@@H]1C(C)C ZINC000922396169 654389991 /nfs/dbraw/zinc/38/99/91/654389991.db2.gz VQTYTQMIRXQLNB-LMSBXDPUSA-N 2 1 386.583 2.111 20 0 GEADMP Oc1cc(Br)cnc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000893491065 654403626 /nfs/dbraw/zinc/40/36/26/654403626.db2.gz RPFQFSZWZUJORE-INIZCTEOSA-N 2 1 392.297 2.406 20 0 GEADMP Oc1cc(Br)cnc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000893491066 654403741 /nfs/dbraw/zinc/40/37/41/654403741.db2.gz RPFQFSZWZUJORE-MRXNPFEDSA-N 2 1 392.297 2.406 20 0 GEADMP C[N@H+]1CC[C@@H]1CNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000922916961 654419921 /nfs/dbraw/zinc/41/99/21/654419921.db2.gz STRLPVGQJXYIAN-QGZVFWFLSA-N 2 1 395.345 2.417 20 0 GEADMP O[C@H](CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000923431875 654453187 /nfs/dbraw/zinc/45/31/87/654453187.db2.gz SRVLGBRVNZFZCV-CEXWTWQISA-N 2 1 394.357 2.383 20 0 GEADMP C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC000923502223 654457284 /nfs/dbraw/zinc/45/72/84/654457284.db2.gz AKHUWIGTCRQONQ-OLZOCXBDSA-N 2 1 375.332 2.140 20 0 GEADMP C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC000923502223 654457288 /nfs/dbraw/zinc/45/72/88/654457288.db2.gz AKHUWIGTCRQONQ-OLZOCXBDSA-N 2 1 375.332 2.140 20 0 GEADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925688894 654548021 /nfs/dbraw/zinc/54/80/21/654548021.db2.gz RHMUZTUEJWTXNQ-SUMWQHHRSA-N 2 1 383.330 2.483 20 0 GEADMP C[NH+](C)CC1(O)CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000931483028 654743625 /nfs/dbraw/zinc/74/36/25/654743625.db2.gz VCDUQQSQMYCCDC-MRXNPFEDSA-N 2 1 386.323 2.487 20 0 GEADMP C[NH+](C)CC1(O)CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000931483027 654743672 /nfs/dbraw/zinc/74/36/72/654743672.db2.gz VCDUQQSQMYCCDC-INIZCTEOSA-N 2 1 386.323 2.487 20 0 GEADMP CCOC(=O)/C=C\c1cccnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685025 719605564 /nfs/dbraw/zinc/60/55/64/719605564.db2.gz QEGGNWUFIBSSMC-HJWRWDBZSA-N 2 1 383.496 2.330 20 0 GEADMP CCOC(=O)/C=C\c1cccnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685025 719605571 /nfs/dbraw/zinc/60/55/71/719605571.db2.gz QEGGNWUFIBSSMC-HJWRWDBZSA-N 2 1 383.496 2.330 20 0 GEADMP c1csc(C[N@H+]2CCOC3(CCN(c4ncnc5c4CC[NH2+]CC5)CC3)C2)c1 ZINC001164702988 719885816 /nfs/dbraw/zinc/88/58/16/719885816.db2.gz RMVUDWUEKMNGGU-UHFFFAOYSA-N 2 1 399.564 2.098 20 0 GEADMP C[NH+](C)Cc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751036 720853268 /nfs/dbraw/zinc/85/32/68/720853268.db2.gz PTYQMCZNGSACQL-QHAWAJNXSA-N 2 1 395.555 2.114 20 0 GEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1C[NH2+]CC3)[C@@H]2C ZINC001164862456 720923128 /nfs/dbraw/zinc/92/31/28/720923128.db2.gz VZXUJVKVQZKFOG-CYBMUJFWSA-N 2 1 389.935 2.394 20 0 GEADMP Cn1ccc2c1cc[nH+]c2N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164885064 721396691 /nfs/dbraw/zinc/39/66/91/721396691.db2.gz CHPOOUPBIKQTHP-AVRDEDQJSA-N 2 1 383.540 2.339 20 0 GEADMP [NH3+]C1CCN(c2cccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)[nH+]2)CC1 ZINC001164783370 721421547 /nfs/dbraw/zinc/42/15/47/721421547.db2.gz IDKMOUABDQOTEN-HOTGVXAUSA-N 3 1 384.553 2.034 20 0 GEADMP c1cncc(C[N@H+]2CCC3(C2)CCN(c2ccc(N4CC[NH2+]CC4)cn2)CC3)c1 ZINC001164955507 722020720 /nfs/dbraw/zinc/02/07/20/722020720.db2.gz JUMZAKLWBDBSPY-UHFFFAOYSA-N 2 1 392.551 2.379 20 0 GEADMP Cn1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981442 722104641 /nfs/dbraw/zinc/10/46/41/722104641.db2.gz LNFHJJOMHBETSP-HKUYNNGSSA-N 2 1 378.480 2.091 20 0 GEADMP Cn1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981442 722104642 /nfs/dbraw/zinc/10/46/42/722104642.db2.gz LNFHJJOMHBETSP-HKUYNNGSSA-N 2 1 378.480 2.091 20 0 GEADMP C[NH+](C)Cc1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164977998 722149496 /nfs/dbraw/zinc/14/94/96/722149496.db2.gz JCJPSZCSRIJOKL-NHCUHLMSSA-N 2 1 381.524 2.266 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nnc(C(F)F)s1 ZINC000175652077 532110204 /nfs/dbraw/zinc/11/02/04/532110204.db2.gz MJEZOQFPMBMARQ-NSHDSACASA-N 2 1 376.477 2.356 20 0 GEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(I)cc2)CC1 ZINC000590745258 532384427 /nfs/dbraw/zinc/38/44/27/532384427.db2.gz VSIAHNMOKWHQOI-UHFFFAOYSA-N 2 1 387.309 2.408 20 0 GEADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000559895418 532408062 /nfs/dbraw/zinc/40/80/62/532408062.db2.gz QPIWUXWULSYZRU-OAHLLOKOSA-N 2 1 398.345 2.234 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000560538287 532419646 /nfs/dbraw/zinc/41/96/46/532419646.db2.gz VWBXDYGONHHVPE-CWRNSKLLSA-N 2 1 389.924 2.220 20 0 GEADMP O=C(CC[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1)N1CC[NH2+]CC1 ZINC000629549622 532495350 /nfs/dbraw/zinc/49/53/50/532495350.db2.gz KHGXRCLJGWAUSW-MRXNPFEDSA-N 2 1 398.370 2.437 20 0 GEADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000469850884 532513578 /nfs/dbraw/zinc/51/35/78/532513578.db2.gz GHFBKWVZDCGTIA-GUYCJALGSA-N 2 1 396.329 2.235 20 0 GEADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000469850884 532513583 /nfs/dbraw/zinc/51/35/83/532513583.db2.gz GHFBKWVZDCGTIA-GUYCJALGSA-N 2 1 396.329 2.235 20 0 GEADMP O[C@@H]1CCCN(Cc2ccc(Br)cc2C[N@@H+]2CCC[C@H](O)C2)C1 ZINC000249292485 532563573 /nfs/dbraw/zinc/56/35/73/532563573.db2.gz JHXYXUXJOGCSHU-MSOLQXFVSA-N 2 1 383.330 2.363 20 0 GEADMP C[N@H+](C[C@@H](O)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1)C1CC1 ZINC000566118726 532595211 /nfs/dbraw/zinc/59/52/11/532595211.db2.gz GPWGTJVFPJFVTR-IBGZPJMESA-N 2 1 396.373 2.458 20 0 GEADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1)C1CC1 ZINC000566118726 532595213 /nfs/dbraw/zinc/59/52/13/532595213.db2.gz GPWGTJVFPJFVTR-IBGZPJMESA-N 2 1 396.373 2.458 20 0 GEADMP CC[NH+](CC)CCNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595945834 532579347 /nfs/dbraw/zinc/57/93/47/532579347.db2.gz OUTYPGJLOVEQQO-UHFFFAOYSA-N 2 1 393.294 2.028 20 0 GEADMP COc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(I)c1OC ZINC000435385388 532615971 /nfs/dbraw/zinc/61/59/71/532615971.db2.gz PYHYBVZSRKECPX-UHFFFAOYSA-N 2 1 390.265 2.492 20 0 GEADMP COc1cc(C[N@@H+](C)C2CC[NH2+]CC2)cc(I)c1OC ZINC000435385388 532615979 /nfs/dbraw/zinc/61/59/79/532615979.db2.gz PYHYBVZSRKECPX-UHFFFAOYSA-N 2 1 390.265 2.492 20 0 GEADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439440809 532693249 /nfs/dbraw/zinc/69/32/49/532693249.db2.gz QPSSHCAUGOZYFP-IUODEOHRSA-N 2 1 375.282 2.211 20 0 GEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439440809 532693257 /nfs/dbraw/zinc/69/32/57/532693257.db2.gz QPSSHCAUGOZYFP-IUODEOHRSA-N 2 1 375.282 2.211 20 0 GEADMP Oc1cccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1Br ZINC000414967856 532836976 /nfs/dbraw/zinc/83/69/76/532836976.db2.gz HVEPDINWTDHNNZ-LBPRGKRZSA-N 2 1 382.224 2.080 20 0 GEADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000359977780 212129364 /nfs/dbraw/zinc/12/93/64/212129364.db2.gz MDLMYBPQKTZLEG-HKUYNNGSSA-N 2 1 387.532 2.040 20 0 GEADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000359977780 212129366 /nfs/dbraw/zinc/12/93/66/212129366.db2.gz MDLMYBPQKTZLEG-HKUYNNGSSA-N 2 1 387.532 2.040 20 0 GEADMP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCN1C1CCOCC1 ZINC000359893595 212121493 /nfs/dbraw/zinc/12/14/93/212121493.db2.gz DULCKRSPZSEPMK-FVTFTPSCSA-N 2 1 383.536 2.267 20 0 GEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289432058 532854805 /nfs/dbraw/zinc/85/48/05/532854805.db2.gz DWNBFDZCHJKKSS-MRXNPFEDSA-N 2 1 381.318 2.423 20 0 GEADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3c(F)cccc3Br)C2)CC1 ZINC000365908708 532913182 /nfs/dbraw/zinc/91/31/82/532913182.db2.gz PZJWSAARBWISFQ-LBPRGKRZSA-N 2 1 384.293 2.487 20 0 GEADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3c(F)cccc3Br)C2)CC1 ZINC000365908708 532913183 /nfs/dbraw/zinc/91/31/83/532913183.db2.gz PZJWSAARBWISFQ-LBPRGKRZSA-N 2 1 384.293 2.487 20 0 GEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821087353 599328648 /nfs/dbraw/zinc/32/86/48/599328648.db2.gz AFLJKIWUJFBWAL-INIZCTEOSA-N 2 1 395.515 2.055 20 0 GEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821087353 599328650 /nfs/dbraw/zinc/32/86/50/599328650.db2.gz AFLJKIWUJFBWAL-INIZCTEOSA-N 2 1 395.515 2.055 20 0 GEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821087353 599328653 /nfs/dbraw/zinc/32/86/53/599328653.db2.gz AFLJKIWUJFBWAL-INIZCTEOSA-N 2 1 395.515 2.055 20 0 GEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821087353 599328655 /nfs/dbraw/zinc/32/86/55/599328655.db2.gz AFLJKIWUJFBWAL-INIZCTEOSA-N 2 1 395.515 2.055 20 0 GEADMP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000737547182 599360030 /nfs/dbraw/zinc/36/00/30/599360030.db2.gz HXODZAOHRGRUTF-CYBMUJFWSA-N 2 1 389.504 2.067 20 0 GEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000821378149 599439796 /nfs/dbraw/zinc/43/97/96/599439796.db2.gz JWYIBTYCTSAQSW-QAPCUYQASA-N 2 1 388.516 2.102 20 0 GEADMP c1cc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)o2)ccc1-c1nn[nH]n1 ZINC000823737094 599565099 /nfs/dbraw/zinc/56/50/99/599565099.db2.gz AOYLHSGYYTXMGV-UHFFFAOYSA-N 2 1 394.483 2.225 20 0 GEADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737844856 599590644 /nfs/dbraw/zinc/59/06/44/599590644.db2.gz WUIDPSFLBLDYHB-INIZCTEOSA-N 2 1 383.500 2.146 20 0 GEADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822964090 599642011 /nfs/dbraw/zinc/64/20/11/599642011.db2.gz CSQHLRHTZWYPPW-INIZCTEOSA-N 2 1 383.500 2.003 20 0 GEADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822356653 606854812 /nfs/dbraw/zinc/85/48/12/606854812.db2.gz XNFYGYKLMJQYGX-OAQYLSRUSA-N 2 1 392.507 2.463 20 0 GEADMP c1cc(-c2nn[nH]n2)oc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000826518020 608430018 /nfs/dbraw/zinc/43/00/18/608430018.db2.gz YQFYWBLGFHKSOP-UHFFFAOYSA-N 2 1 382.468 2.267 20 0 GEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826034670 608451030 /nfs/dbraw/zinc/45/10/30/608451030.db2.gz VEQQIIFGYZMSET-SFHVURJKSA-N 2 1 383.500 2.002 20 0 GEADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000826509107 609381970 /nfs/dbraw/zinc/38/19/70/609381970.db2.gz LRCCRLORSHTGSA-INIZCTEOSA-N 2 1 384.509 2.175 20 0 GEADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000518514645 650605681 /nfs/dbraw/zinc/60/56/81/650605681.db2.gz FHPNYPSFGZPAPQ-MKPLZMMCSA-N 2 1 377.798 2.243 20 0 GEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000520211764 650613963 /nfs/dbraw/zinc/61/39/63/650613963.db2.gz SCNNZKLGAMUTKQ-CYBMUJFWSA-N 2 1 378.108 2.368 20 0 GEADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000520211764 650613965 /nfs/dbraw/zinc/61/39/65/650613965.db2.gz SCNNZKLGAMUTKQ-CYBMUJFWSA-N 2 1 378.108 2.368 20 0 GEADMP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CCCCS2(=O)=O)CC1 ZINC000542311283 650889720 /nfs/dbraw/zinc/88/97/20/650889720.db2.gz QLKSPNCJQGVQES-OAHLLOKOSA-N 2 1 385.961 2.149 20 0 GEADMP Cc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1O ZINC000187157854 645083596 /nfs/dbraw/zinc/08/35/96/645083596.db2.gz SARREVSTLGPDND-ZDUSSCGKSA-N 2 1 384.318 2.278 20 0 GEADMP C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248450387 645526738 /nfs/dbraw/zinc/52/67/38/645526738.db2.gz OXOUUDGRYBGXGA-RDTXWAMCSA-N 2 1 393.329 2.391 20 0 GEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000280706153 646708070 /nfs/dbraw/zinc/70/80/70/646708070.db2.gz LWNNSYMNFABKAI-VXGBXAGGSA-N 2 1 390.347 2.089 20 0 GEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000280706153 646708079 /nfs/dbraw/zinc/70/80/79/646708079.db2.gz LWNNSYMNFABKAI-VXGBXAGGSA-N 2 1 390.347 2.089 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@H]2CCC[C@H]21 ZINC000375803490 647834429 /nfs/dbraw/zinc/83/44/29/647834429.db2.gz CQUVMQAZJMPNIW-QLFBSQMISA-N 2 1 383.480 2.010 20 0 GEADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000391735535 647893860 /nfs/dbraw/zinc/89/38/60/647893860.db2.gz GWHUFJZCCPHMSL-SJCJKPOMSA-N 2 1 377.286 2.018 20 0 GEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000391735535 647893864 /nfs/dbraw/zinc/89/38/64/647893864.db2.gz GWHUFJZCCPHMSL-SJCJKPOMSA-N 2 1 377.286 2.018 20 0 GEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C[NH3+] ZINC000397335293 647898111 /nfs/dbraw/zinc/89/81/11/647898111.db2.gz STZICNUZHQUQFS-FRRDWIJNSA-N 2 1 379.302 2.262 20 0 GEADMP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC000420351022 648413403 /nfs/dbraw/zinc/41/34/03/648413403.db2.gz VPFXUYGDADSABI-DZGCQCFKSA-N 2 1 385.339 2.150 20 0 GEADMP C[C@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC000420351022 648413405 /nfs/dbraw/zinc/41/34/05/648413405.db2.gz VPFXUYGDADSABI-DZGCQCFKSA-N 2 1 385.339 2.150 20 0 GEADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000554717697 651211727 /nfs/dbraw/zinc/21/17/27/651211727.db2.gz GIDLJEKLEXZIBL-ZDUSSCGKSA-N 2 1 386.309 2.273 20 0 GEADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000728905432 651554150 /nfs/dbraw/zinc/55/41/50/651554150.db2.gz MHLQJLSHUXYTTR-KRWDZBQOSA-N 2 1 384.933 2.400 20 0 GEADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000728905432 651554159 /nfs/dbraw/zinc/55/41/59/651554159.db2.gz MHLQJLSHUXYTTR-KRWDZBQOSA-N 2 1 384.933 2.400 20 0 GEADMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1c(Cl)cccc1Cl ZINC000566234978 651605783 /nfs/dbraw/zinc/60/57/83/651605783.db2.gz VHJCELSTNRLXQJ-CQSZACIVSA-N 2 1 377.312 2.170 20 0 GEADMP O[C@H](C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C[NH+]1CCCCC1 ZINC000647517786 651749489 /nfs/dbraw/zinc/74/94/89/651749489.db2.gz CZKQOSIGWINZBO-CABCVRRESA-N 2 1 377.312 2.170 20 0 GEADMP O=S(=O)(c1cccc(Cl)c1)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647870919 651763740 /nfs/dbraw/zinc/76/37/40/651763740.db2.gz NBBMZOAYJWEXKY-UHFFFAOYSA-N 2 1 385.961 2.426 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nscc1Br ZINC000651221859 651876159 /nfs/dbraw/zinc/87/61/59/651876159.db2.gz DNSXCOSDTWFDMQ-GFCCVEGCSA-N 2 1 389.363 2.394 20 0 GEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000652349025 651916093 /nfs/dbraw/zinc/91/60/93/651916093.db2.gz ZGGCRSFRDPVDPM-NWANDNLSSA-N 2 1 397.317 2.001 20 0 GEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000652349025 651916095 /nfs/dbraw/zinc/91/60/95/651916095.db2.gz ZGGCRSFRDPVDPM-NWANDNLSSA-N 2 1 397.317 2.001 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1sccc1Br ZINC000617507751 651956073 /nfs/dbraw/zinc/95/60/73/651956073.db2.gz IFVJHIFXTQZAFL-LBPRGKRZSA-N 2 1 376.364 2.441 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1sccc1Br ZINC000617507751 651956078 /nfs/dbraw/zinc/95/60/78/651956078.db2.gz IFVJHIFXTQZAFL-LBPRGKRZSA-N 2 1 376.364 2.441 20 0 GEADMP [NH3+]CCCOC1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000573724290 651976515 /nfs/dbraw/zinc/97/65/15/651976515.db2.gz BKOOGWBMWPPUKS-KRWDZBQOSA-N 2 1 396.329 2.384 20 0 GEADMP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1ccccc1Br ZINC000655733681 652008975 /nfs/dbraw/zinc/00/89/75/652008975.db2.gz PPNQARLYBCWGOH-HOTGVXAUSA-N 2 1 399.329 2.032 20 0 GEADMP CN(CCC[N@H+](C)CC(=O)Nc1ccc(Br)cc1)CC[NH+](C)C ZINC000575781588 652077177 /nfs/dbraw/zinc/07/71/77/652077177.db2.gz IXOJSXGNYVOLDX-UHFFFAOYSA-N 2 1 385.350 2.203 20 0 GEADMP CN(CCC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1)CC[NH+](C)C ZINC000575781588 652077187 /nfs/dbraw/zinc/07/71/87/652077187.db2.gz IXOJSXGNYVOLDX-UHFFFAOYSA-N 2 1 385.350 2.203 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629558550 652493183 /nfs/dbraw/zinc/49/31/83/652493183.db2.gz JGZBHTMLKBJVJL-OAHLLOKOSA-N 2 1 384.318 2.132 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nc(C2CC2)ncc1Br ZINC000664313680 652526374 /nfs/dbraw/zinc/52/63/74/652526374.db2.gz BGLAVRYGRHRZCD-LBPRGKRZSA-N 2 1 398.349 2.118 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nc(C2CC2)ncc1Br ZINC000664313680 652526376 /nfs/dbraw/zinc/52/63/76/652526376.db2.gz BGLAVRYGRHRZCD-LBPRGKRZSA-N 2 1 398.349 2.118 20 0 GEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(I)c2)CC1 ZINC000585742017 652536689 /nfs/dbraw/zinc/53/66/89/652536689.db2.gz MMCSTUVTTISHKL-UHFFFAOYSA-N 2 1 387.309 2.408 20 0 GEADMP O=S(=O)(NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000671766684 652812098 /nfs/dbraw/zinc/81/20/98/652812098.db2.gz SHHCHGRVDFTDOA-QWHCGFSZSA-N 2 1 392.352 2.488 20 0 GEADMP O=S(=O)(NCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000671766684 652812099 /nfs/dbraw/zinc/81/20/99/652812099.db2.gz SHHCHGRVDFTDOA-QWHCGFSZSA-N 2 1 392.352 2.488 20 0 GEADMP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000638448080 652889914 /nfs/dbraw/zinc/88/99/14/652889914.db2.gz RIZKVBWZPVQLRY-MRXNPFEDSA-N 2 1 379.551 2.397 20 0 GEADMP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000638448080 652889916 /nfs/dbraw/zinc/88/99/16/652889916.db2.gz RIZKVBWZPVQLRY-MRXNPFEDSA-N 2 1 379.551 2.397 20 0 GEADMP Cc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c(Br)c1 ZINC000641100299 653155650 /nfs/dbraw/zinc/15/56/50/653155650.db2.gz KIFZEEOUBAQBAF-UHFFFAOYSA-N 2 1 378.318 2.363 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(I)s1 ZINC000602656031 653198900 /nfs/dbraw/zinc/19/89/00/653198900.db2.gz LAYMPWOVSRIHIP-UHFFFAOYSA-N 2 1 393.338 2.422 20 0 GEADMP Cn1nc(Br)cc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000808443344 653229802 /nfs/dbraw/zinc/22/98/02/653229802.db2.gz WMKYBOBOWWLPPL-UHFFFAOYSA-N 2 1 382.306 2.198 20 0 GEADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000863550964 653715603 /nfs/dbraw/zinc/71/56/03/653715603.db2.gz GJXLPAVNSYUJSQ-CVEARBPZSA-N 2 1 380.286 2.206 20 0 GEADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccccc1Br ZINC000818997794 653740497 /nfs/dbraw/zinc/74/04/97/653740497.db2.gz LDHUXFQXQOAGCD-SJORKVTESA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccccc1Br ZINC000818997794 653740498 /nfs/dbraw/zinc/74/04/98/653740498.db2.gz LDHUXFQXQOAGCD-SJORKVTESA-N 2 1 398.345 2.015 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000820081126 653766326 /nfs/dbraw/zinc/76/63/26/653766326.db2.gz UOOKVROBADGPCN-OFQRWUPVSA-N 2 1 379.376 2.484 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000820081126 653766331 /nfs/dbraw/zinc/76/63/31/653766331.db2.gz UOOKVROBADGPCN-OFQRWUPVSA-N 2 1 379.376 2.484 20 0 GEADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000884183812 653867217 /nfs/dbraw/zinc/86/72/17/653867217.db2.gz XTWZPGFEISRZJE-ZENOOKHLSA-N 2 1 384.318 2.064 20 0 GEADMP Brc1cnc2n1C[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000898720307 653982010 /nfs/dbraw/zinc/98/20/10/653982010.db2.gz LWMHRWDZHGEKBU-HUUCEWRRSA-N 2 1 383.334 2.193 20 0 GEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](CO)Cc1cccc(Br)c1 ZINC000849104209 654004378 /nfs/dbraw/zinc/00/43/78/654004378.db2.gz MCEAFYWFIQELEY-WBVHZDCISA-N 2 1 397.361 2.198 20 0 GEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000849104207 654004399 /nfs/dbraw/zinc/00/43/99/654004399.db2.gz MCEAFYWFIQELEY-RDJZCZTQSA-N 2 1 397.361 2.198 20 0 GEADMP C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1CC[NH3+] ZINC000903496504 654241839 /nfs/dbraw/zinc/24/18/39/654241839.db2.gz QKHBGCGPCKEUBW-CHWSQXEVSA-N 2 1 375.332 2.140 20 0 GEADMP Cc1cccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1Br ZINC000903779257 654283243 /nfs/dbraw/zinc/28/32/43/654283243.db2.gz XMEWYRLUMXPJHB-KFWWJZLASA-N 2 1 380.286 2.124 20 0 GEADMP Cc1cccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1Br ZINC000903779257 654283249 /nfs/dbraw/zinc/28/32/49/654283249.db2.gz XMEWYRLUMXPJHB-KFWWJZLASA-N 2 1 380.286 2.124 20 0 GEADMP C[N@H+](CCOc1ccc(Br)cc1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903878492 654288823 /nfs/dbraw/zinc/28/88/23/654288823.db2.gz WDNXLTOZNWUQJN-HNNXBMFYSA-N 2 1 394.317 2.476 20 0 GEADMP C[N@@H+](CCOc1ccc(Br)cc1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903878492 654288830 /nfs/dbraw/zinc/28/88/30/654288830.db2.gz WDNXLTOZNWUQJN-HNNXBMFYSA-N 2 1 394.317 2.476 20 0 GEADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[C@]3(C)Br)CC2)CC1 ZINC000891949664 654320082 /nfs/dbraw/zinc/32/00/82/654320082.db2.gz VSXYQFBLPBLUQS-WMZOPIPTSA-N 2 1 386.378 2.426 20 0 GEADMP Cc1cc(Br)c(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872257526 654320459 /nfs/dbraw/zinc/32/04/59/654320459.db2.gz SHAROLTXBRUBHB-RTXFEEFZSA-N 2 1 386.315 2.186 20 0 GEADMP Cc1cc(Br)c(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872257526 654320463 /nfs/dbraw/zinc/32/04/63/654320463.db2.gz SHAROLTXBRUBHB-RTXFEEFZSA-N 2 1 386.315 2.186 20 0 GEADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)CCC(F)(F)F ZINC000922187488 654374685 /nfs/dbraw/zinc/37/46/85/654374685.db2.gz IAOBKEHPHVZUQW-KGLIPLIRSA-N 2 1 382.496 2.140 20 0 GEADMP CC[NH+](CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)CCC(F)(F)F ZINC000922187488 654374687 /nfs/dbraw/zinc/37/46/87/654374687.db2.gz IAOBKEHPHVZUQW-KGLIPLIRSA-N 2 1 382.496 2.140 20 0 GEADMP CC[NH+](CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)CCC(F)(F)F ZINC000922187488 654374689 /nfs/dbraw/zinc/37/46/89/654374689.db2.gz IAOBKEHPHVZUQW-KGLIPLIRSA-N 2 1 382.496 2.140 20 0 GEADMP O=C([C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1)N1CC[NH2+]CC1 ZINC000923283188 654441549 /nfs/dbraw/zinc/44/15/49/654441549.db2.gz TUHCBLCFKSGVOZ-DYVFJYSZSA-N 2 1 386.323 2.171 20 0 GEADMP CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]C1CC([NH3+])C1 ZINC000906509912 654445314 /nfs/dbraw/zinc/44/53/14/654445314.db2.gz BREZSKJRYLGFLX-UHFFFAOYSA-N 2 1 393.372 2.165 20 0 GEADMP O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923416127 654451765 /nfs/dbraw/zinc/45/17/65/654451765.db2.gz ZPIFZYFUNKZXFD-PVUWLOKVSA-N 2 1 387.293 2.402 20 0 GEADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3nc(Br)nn3C)CC2)oc1C ZINC000894230726 654457741 /nfs/dbraw/zinc/45/77/41/654457741.db2.gz MRYOPPGLRLMGDF-UHFFFAOYSA-N 2 1 397.321 2.184 20 0 GEADMP C[NH+]1CCC(C[NH2+]Cc2csc(C(F)(F)F)n2)(N2CCOCC2)CC1 ZINC000894892977 654504319 /nfs/dbraw/zinc/50/43/19/654504319.db2.gz AZLSLBJGFKTDGR-UHFFFAOYSA-N 2 1 378.464 2.048 20 0 GEADMP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925566719 654546055 /nfs/dbraw/zinc/54/60/55/654546055.db2.gz LFLWQRULPZEFPZ-ZZGLYJMHSA-N 2 1 392.341 2.384 20 0 GEADMP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000925567926 654546370 /nfs/dbraw/zinc/54/63/70/654546370.db2.gz RTOKCEWKFWUKKY-HNNXBMFYSA-N 2 1 384.318 2.308 20 0 GEADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925688368 654547801 /nfs/dbraw/zinc/54/78/01/654547801.db2.gz OTFMOGQJECESLJ-FKQKROLYSA-N 2 1 395.341 2.195 20 0 GEADMP C(c1nc2sc3c(c2c(N2CCOCC24C[NH2+]C4)n1)CCCC3)[NH+]1CCCC1 ZINC001164406490 718860859 /nfs/dbraw/zinc/86/08/59/718860859.db2.gz UTPLSFHYOKUAHI-UHFFFAOYSA-N 2 1 399.564 2.345 20 0 GEADMP CCOC(=O)c1cc(F)cnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164686316 719609485 /nfs/dbraw/zinc/60/94/85/719609485.db2.gz ZZYXGOLLTGRJAT-UHFFFAOYSA-N 2 1 375.448 2.069 20 0 GEADMP CCOC(=O)c1cc(F)cnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164686316 719609499 /nfs/dbraw/zinc/60/94/99/719609499.db2.gz ZZYXGOLLTGRJAT-UHFFFAOYSA-N 2 1 375.448 2.069 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)Oc2cnc(Cl)cn2)c2c1CC[NH2+]C2 ZINC001164684533 719652365 /nfs/dbraw/zinc/65/23/65/719652365.db2.gz XTBAWCFTGJDYHZ-UHFFFAOYSA-N 2 1 386.834 2.398 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)Oc2cnc(Cl)cn2)c2c1CC[NH2+]C2 ZINC001164684533 719652366 /nfs/dbraw/zinc/65/23/66/719652366.db2.gz XTBAWCFTGJDYHZ-UHFFFAOYSA-N 2 1 386.834 2.398 20 0 GEADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(C3CC[NH2+]CC3)n1)C2 ZINC001164807022 720146063 /nfs/dbraw/zinc/14/60/63/720146063.db2.gz AJSJWMHEMYOTLT-SIKLNZKXSA-N 2 1 385.556 2.128 20 0 GEADMP CCc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164733970 720409258 /nfs/dbraw/zinc/40/92/58/720409258.db2.gz RCRYMGNMYZMDRG-UXHICEINSA-N 2 1 394.523 2.124 20 0 GEADMP CCc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164733970 720409262 /nfs/dbraw/zinc/40/92/62/720409262.db2.gz RCRYMGNMYZMDRG-UXHICEINSA-N 2 1 394.523 2.124 20 0 GEADMP CCOc1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164741242 720827350 /nfs/dbraw/zinc/82/73/50/720827350.db2.gz MROMAJDDQNRGGP-CMKODMSKSA-N 2 1 382.512 2.451 20 0 GEADMP Nc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc[nH+]1 ZINC001164758145 720900205 /nfs/dbraw/zinc/90/02/05/720900205.db2.gz XCVIODNTMXOHCC-SIKLNZKXSA-N 2 1 394.523 2.209 20 0 GEADMP Nc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc[nH+]1 ZINC001164758145 720900214 /nfs/dbraw/zinc/90/02/14/720900214.db2.gz XCVIODNTMXOHCC-SIKLNZKXSA-N 2 1 394.523 2.209 20 0 GEADMP Clc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164880441 721130485 /nfs/dbraw/zinc/13/04/85/721130485.db2.gz WRKGDLYXWSWXFO-SJORKVTESA-N 2 1 399.926 2.255 20 0 GEADMP c1cn(-c2cc[nH+]c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)cn1 ZINC001164877590 721169427 /nfs/dbraw/zinc/16/94/27/721169427.db2.gz OWYOKHDGDNHUPC-UXHICEINSA-N 2 1 376.464 2.142 20 0 GEADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C5C[NH2+]C5)ncn4)CC3)C2)cc1 ZINC001164941236 721933583 /nfs/dbraw/zinc/93/35/83/721933583.db2.gz GSYRVXYMVFPLKU-UHFFFAOYSA-N 2 1 393.535 2.343 20 0 GEADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cncc(N4CC[NH2+]CC4)n2)C3)c1 ZINC001164995364 722200867 /nfs/dbraw/zinc/20/08/67/722200867.db2.gz MNOJSKFSWSVWHG-QFIPXVFZSA-N 2 1 396.514 2.270 20 0 GEADMP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178979029 532219365 /nfs/dbraw/zinc/21/93/65/532219365.db2.gz NSTADFOLPZTEJV-AWEZNQCLSA-N 2 1 381.318 2.494 20 0 GEADMP C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCSCC2)[C@H]1c1cccs1 ZINC000465914286 532422208 /nfs/dbraw/zinc/42/22/08/532422208.db2.gz ALRFTYIHJRQZDN-RDJZCZTQSA-N 2 1 382.599 2.479 20 0 GEADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCSCC2)[C@H]1c1cccs1 ZINC000465914286 532422214 /nfs/dbraw/zinc/42/22/14/532422214.db2.gz ALRFTYIHJRQZDN-RDJZCZTQSA-N 2 1 382.599 2.479 20 0 GEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000562381253 532464216 /nfs/dbraw/zinc/46/42/16/532464216.db2.gz AOZAPBHSRSSITN-VXGBXAGGSA-N 2 1 390.347 2.089 20 0 GEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000562381253 532464218 /nfs/dbraw/zinc/46/42/18/532464218.db2.gz AOZAPBHSRSSITN-VXGBXAGGSA-N 2 1 390.347 2.089 20 0 GEADMP O=C([C@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1)N1CC[NH2+]CC1 ZINC000470012922 532518121 /nfs/dbraw/zinc/51/81/21/532518121.db2.gz UEWNSNYMUBVBDM-AWEZNQCLSA-N 2 1 384.293 2.232 20 0 GEADMP O=C([C@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1)N1CC[NH2+]CC1 ZINC000470012922 532518125 /nfs/dbraw/zinc/51/81/25/532518125.db2.gz UEWNSNYMUBVBDM-AWEZNQCLSA-N 2 1 384.293 2.232 20 0 GEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCCNS(=O)(=O)c2cccs2)C1 ZINC000246430917 532539581 /nfs/dbraw/zinc/53/95/81/532539581.db2.gz MQEKKXLQHIIMFK-DOTOQJQBSA-N 2 1 379.551 2.452 20 0 GEADMP CC[N@H+]1CC[C@@H](CNCc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000296582455 532529428 /nfs/dbraw/zinc/52/94/28/532529428.db2.gz WXIWQSSWPMTGEH-KGLIPLIRSA-N 2 1 398.345 2.394 20 0 GEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000296582455 532529436 /nfs/dbraw/zinc/52/94/36/532529436.db2.gz WXIWQSSWPMTGEH-KGLIPLIRSA-N 2 1 398.345 2.394 20 0 GEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000296582455 532529441 /nfs/dbraw/zinc/52/94/41/532529441.db2.gz WXIWQSSWPMTGEH-KGLIPLIRSA-N 2 1 398.345 2.394 20 0 GEADMP O[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C[NH+]1CCCC1 ZINC000527645459 532550684 /nfs/dbraw/zinc/55/06/84/532550684.db2.gz NYUNPKAMGPQJCK-GFCCVEGCSA-N 2 1 385.331 2.447 20 0 GEADMP O[C@@H]1CCCN(Cc2ccc(Br)cc2C[N@@H+]2CCC[C@@H](O)C2)C1 ZINC000249292487 532562796 /nfs/dbraw/zinc/56/27/96/532562796.db2.gz JHXYXUXJOGCSHU-QZTJIDSGSA-N 2 1 383.330 2.363 20 0 GEADMP O=S(=O)(CCC[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000631846227 532563407 /nfs/dbraw/zinc/56/34/07/532563407.db2.gz AYWJRZQCNGAJMG-KRWDZBQOSA-N 2 1 385.599 2.365 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631869063 532565168 /nfs/dbraw/zinc/56/51/68/532565168.db2.gz FNPWDYNMDZJKSQ-CYBMUJFWSA-N 2 1 379.473 2.254 20 0 GEADMP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632158689 532583514 /nfs/dbraw/zinc/58/35/14/532583514.db2.gz DYMAZMXLOXZVPV-RHSMWYFYSA-N 2 1 391.940 2.343 20 0 GEADMP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632158689 532583517 /nfs/dbraw/zinc/58/35/17/532583517.db2.gz DYMAZMXLOXZVPV-RHSMWYFYSA-N 2 1 391.940 2.343 20 0 GEADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632158691 532583946 /nfs/dbraw/zinc/58/39/46/532583946.db2.gz DYMAZMXLOXZVPV-YOEHRIQHSA-N 2 1 391.940 2.343 20 0 GEADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632158691 532583955 /nfs/dbraw/zinc/58/39/55/532583955.db2.gz DYMAZMXLOXZVPV-YOEHRIQHSA-N 2 1 391.940 2.343 20 0 GEADMP CN(CC(C)(C)C[NH3+])C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595925145 532577454 /nfs/dbraw/zinc/57/74/54/532577454.db2.gz VUTRROYMCWEQRE-UHFFFAOYSA-N 2 1 393.294 2.013 20 0 GEADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000566849819 532628535 /nfs/dbraw/zinc/62/85/35/532628535.db2.gz MRRAJOBNEXUYEC-LLVKDONJSA-N 2 1 378.336 2.135 20 0 GEADMP CC(CC[NH+]1CCSC[C@H]1CCO)CC[N@H+]1CCSC[C@H]1CCO ZINC000411315210 532755748 /nfs/dbraw/zinc/75/57/48/532755748.db2.gz HMWAEMFVIHJOQN-QZTJIDSGSA-N 2 1 376.632 2.002 20 0 GEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414371235 532822975 /nfs/dbraw/zinc/82/29/75/532822975.db2.gz WJMNRXVTCMFGFF-OLZOCXBDSA-N 2 1 390.347 2.059 20 0 GEADMP C[C@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000414726848 532834978 /nfs/dbraw/zinc/83/49/78/532834978.db2.gz AOBVGCNSFPJBQA-QWHCGFSZSA-N 2 1 377.963 2.096 20 0 GEADMP COc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(Br)c1O ZINC000415055876 532837517 /nfs/dbraw/zinc/83/75/17/532837517.db2.gz PEWFXTPWERMQAQ-UHFFFAOYSA-N 2 1 398.345 2.469 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Br)cc2c1OCC2 ZINC000289488494 532856583 /nfs/dbraw/zinc/85/65/83/532856583.db2.gz RIVFUKXMPGPLHZ-UHFFFAOYSA-N 2 1 382.346 2.453 20 0 GEADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736452547 598898737 /nfs/dbraw/zinc/89/87/37/598898737.db2.gz DZISEVYZYWVMND-UHFFFAOYSA-N 2 1 385.516 2.249 20 0 GEADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736452547 598898739 /nfs/dbraw/zinc/89/87/39/598898739.db2.gz DZISEVYZYWVMND-UHFFFAOYSA-N 2 1 385.516 2.249 20 0 GEADMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000821189397 599564503 /nfs/dbraw/zinc/56/45/03/599564503.db2.gz LKLDQUWTUGXJII-UHFFFAOYSA-N 2 1 396.499 2.471 20 0 GEADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000820111579 599571535 /nfs/dbraw/zinc/57/15/35/599571535.db2.gz AKISGKWDJPYNNK-UHFFFAOYSA-N 2 1 396.499 2.469 20 0 GEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000820111579 599571537 /nfs/dbraw/zinc/57/15/37/599571537.db2.gz AKISGKWDJPYNNK-UHFFFAOYSA-N 2 1 396.499 2.469 20 0 GEADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000820112456 599571543 /nfs/dbraw/zinc/57/15/43/599571543.db2.gz UPWXWSKDUZGYFL-UHFFFAOYSA-N 2 1 396.499 2.469 20 0 GEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000820112456 599571546 /nfs/dbraw/zinc/57/15/46/599571546.db2.gz UPWXWSKDUZGYFL-UHFFFAOYSA-N 2 1 396.499 2.469 20 0 GEADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964003 599642109 /nfs/dbraw/zinc/64/21/09/599642109.db2.gz CEYPBVUFUWZNQS-MRXNPFEDSA-N 2 1 383.500 2.003 20 0 GEADMP c1cc(OC2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)ncc1-c1nn[nH]n1 ZINC000826517566 608288417 /nfs/dbraw/zinc/28/84/17/608288417.db2.gz IEPHOQIYFKXCFS-JDEYZFBPSA-N 2 1 383.500 2.168 20 0 GEADMP c1cc(OC2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)ncc1-c1nn[nH]n1 ZINC000826517568 608288840 /nfs/dbraw/zinc/28/88/40/608288840.db2.gz IEPHOQIYFKXCFS-SAGYGOJTSA-N 2 1 383.500 2.168 20 0 GEADMP Cc1nn(-c2ccccc2)c(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1-c1nn[nH]n1 ZINC000826332064 608314737 /nfs/dbraw/zinc/31/47/37/608314737.db2.gz IREWVPAOFMKTJU-INIZCTEOSA-N 2 1 380.500 2.134 20 0 GEADMP Cc1nn(-c2ccccc2)c(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826332090 608315109 /nfs/dbraw/zinc/31/51/09/608315109.db2.gz JQRMHXJGKBFKOB-WMLDXEAASA-N 2 1 380.500 2.275 20 0 GEADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000825460010 609326758 /nfs/dbraw/zinc/32/67/58/609326758.db2.gz QDBDHCGYJDHQGB-HNNXBMFYSA-N 2 1 375.496 2.074 20 0 GEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510927562 650521157 /nfs/dbraw/zinc/52/11/57/650521157.db2.gz IBYONMMWBXNQLZ-XUJVJEKNSA-N 2 1 377.913 2.076 20 0 GEADMP CC(C)[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000511004368 650523167 /nfs/dbraw/zinc/52/31/67/650523167.db2.gz YSMBGCSEZGXKAO-UHFFFAOYSA-N 2 1 377.913 2.220 20 0 GEADMP COc1ccc(Br)cc1C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000513962857 650572201 /nfs/dbraw/zinc/57/22/01/650572201.db2.gz GTMARGBUXQUKGE-UHFFFAOYSA-N 2 1 384.318 2.054 20 0 GEADMP COc1ccc(Br)cc1C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000513962857 650572204 /nfs/dbraw/zinc/57/22/04/650572204.db2.gz GTMARGBUXQUKGE-UHFFFAOYSA-N 2 1 384.318 2.054 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(SC)ncc1Cl ZINC000523483854 650635304 /nfs/dbraw/zinc/63/53/04/650635304.db2.gz JJUVQWNUASKNPK-CYBMUJFWSA-N 2 1 385.965 2.340 20 0 GEADMP C[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)[N@@H+]1CCc2sccc2C1 ZINC000481290009 650643954 /nfs/dbraw/zinc/64/39/54/650643954.db2.gz JBHRXOIRRNZFNT-KBXCAEBGSA-N 2 1 382.599 2.231 20 0 GEADMP C[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)[N@H+]1CCc2sccc2C1 ZINC000481290009 650643958 /nfs/dbraw/zinc/64/39/58/650643958.db2.gz JBHRXOIRRNZFNT-KBXCAEBGSA-N 2 1 382.599 2.231 20 0 GEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000534315739 650772391 /nfs/dbraw/zinc/77/23/91/650772391.db2.gz NTFBOLWCXOICLJ-UHFFFAOYSA-N 2 1 390.285 2.484 20 0 GEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000534315739 650772393 /nfs/dbraw/zinc/77/23/93/650772393.db2.gz NTFBOLWCXOICLJ-UHFFFAOYSA-N 2 1 390.285 2.484 20 0 GEADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000493960294 650799754 /nfs/dbraw/zinc/79/97/54/650799754.db2.gz LDNGTILLJAJYBH-MRXNPFEDSA-N 2 1 380.330 2.499 20 0 GEADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000070171114 643049790 /nfs/dbraw/zinc/04/97/90/643049790.db2.gz CJWGOZYQHDEPLK-GFCCVEGCSA-N 2 1 387.265 2.291 20 0 GEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000107368123 643255513 /nfs/dbraw/zinc/25/55/13/643255513.db2.gz USKKXJRYRUVUHZ-MSOLQXFVSA-N 2 1 382.346 2.194 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000110094376 643306394 /nfs/dbraw/zinc/30/63/94/643306394.db2.gz AKTMOYWCBSLDIH-AWEZNQCLSA-N 2 1 375.485 2.001 20 0 GEADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1nc(Br)c(=O)c2ccccc21 ZINC000124130759 643681736 /nfs/dbraw/zinc/68/17/36/643681736.db2.gz PUBIXSOSQUEPRO-UHFFFAOYSA-N 2 1 379.302 2.390 20 0 GEADMP C[NH+]1CCC(O)(C[NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000274861684 646333568 /nfs/dbraw/zinc/33/35/68/646333568.db2.gz SGDDDXDKGZBVME-UHFFFAOYSA-N 2 1 393.123 2.153 20 0 GEADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000411669031 648030117 /nfs/dbraw/zinc/03/01/17/648030117.db2.gz PZPNYEXTAZQRKU-ZDUSSCGKSA-N 2 1 383.334 2.484 20 0 GEADMP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)CC[NH2+]CC1 ZINC000423134413 648584085 /nfs/dbraw/zinc/58/40/85/648584085.db2.gz RUJGHOGNHNKQPF-RYUDHWBXSA-N 2 1 385.306 2.211 20 0 GEADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423329192 648589659 /nfs/dbraw/zinc/58/96/59/648589659.db2.gz FDGVLDSSFZJQAW-ABAIWWIYSA-N 2 1 390.347 2.137 20 0 GEADMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@H](C)C1 ZINC000442888399 648851661 /nfs/dbraw/zinc/85/16/61/648851661.db2.gz GMDWVRPDLCQAQD-DOMZBBRYSA-N 2 1 377.913 2.077 20 0 GEADMP O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000563668070 651535902 /nfs/dbraw/zinc/53/59/02/651535902.db2.gz ZWYPYSDVUFZSJD-CYBMUJFWSA-N 2 1 392.352 2.299 20 0 GEADMP Cc1ccc(NCCC[NH2+]C[C@H](O)COc2ccc(Br)cc2)[nH+]c1 ZINC000568501879 651669861 /nfs/dbraw/zinc/66/98/61/651669861.db2.gz GVKMDFYRTHWBGI-INIZCTEOSA-N 2 1 394.313 2.984 20 0 GEADMP C[C@@]1(NC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000612891500 651774927 /nfs/dbraw/zinc/77/49/27/651774927.db2.gz JQXLDYGAUUAFEZ-GOSISDBHSA-N 2 1 395.345 2.465 20 0 GEADMP C[NH+](C)CCOC1CC[NH+](Cn2c3ccc(Br)cc3oc2=O)CC1 ZINC000738208034 651885953 /nfs/dbraw/zinc/88/59/53/651885953.db2.gz IRXFKRSKBKWSLQ-UHFFFAOYSA-N 2 1 398.301 2.357 20 0 GEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Br)cn2)C1 ZINC000652362470 651916952 /nfs/dbraw/zinc/91/69/52/651916952.db2.gz IAMYPTWSVMCWRB-KFWWJZLASA-N 2 1 397.317 2.143 20 0 GEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Br)cn2)C1 ZINC000652362470 651916956 /nfs/dbraw/zinc/91/69/56/651916956.db2.gz IAMYPTWSVMCWRB-KFWWJZLASA-N 2 1 397.317 2.143 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(Br)cc1O ZINC000617507154 651955901 /nfs/dbraw/zinc/95/59/01/651955901.db2.gz KNZNOFFQECMNGA-ZDUSSCGKSA-N 2 1 386.334 2.085 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(Br)cc1O ZINC000617507154 651955904 /nfs/dbraw/zinc/95/59/04/651955904.db2.gz KNZNOFFQECMNGA-ZDUSSCGKSA-N 2 1 386.334 2.085 20 0 GEADMP OC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccc(Br)cc1 ZINC000655758793 652010541 /nfs/dbraw/zinc/01/05/41/652010541.db2.gz CZZYNBHSTXKKHY-QFBILLFUSA-N 2 1 397.357 2.443 20 0 GEADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CC12CCOCC2 ZINC000577730918 652211633 /nfs/dbraw/zinc/21/16/33/652211633.db2.gz FQWMBVQPMDXMHQ-AWEZNQCLSA-N 2 1 396.329 2.465 20 0 GEADMP C[NH2+]C[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000659468951 652358696 /nfs/dbraw/zinc/35/86/96/652358696.db2.gz DOYIMRUOBVCBBA-CYBMUJFWSA-N 2 1 383.334 2.321 20 0 GEADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662246054 652454443 /nfs/dbraw/zinc/45/44/43/652454443.db2.gz XYXYDPPSAMQRGB-GFCCVEGCSA-N 2 1 380.286 2.482 20 0 GEADMP COCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662439200 652461016 /nfs/dbraw/zinc/46/10/16/652461016.db2.gz KHLJXWQJBNKAJD-MRXNPFEDSA-N 2 1 384.318 2.066 20 0 GEADMP [NH3+][C@H](C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1Br ZINC000662574196 652468543 /nfs/dbraw/zinc/46/85/43/652468543.db2.gz JFLYRLZPNZGVRB-ULQDDVLXSA-N 2 1 396.329 2.194 20 0 GEADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000662728761 652471837 /nfs/dbraw/zinc/47/18/37/652471837.db2.gz XAFOSTVCVQUYCV-RHSMWYFYSA-N 2 1 386.323 2.438 20 0 GEADMP COc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629560100 652493075 /nfs/dbraw/zinc/49/30/75/652493075.db2.gz XGQINJPBMHOHMP-MRXNPFEDSA-N 2 1 396.329 2.417 20 0 GEADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)N2CCc3sccc3C2)CC[C@H]1C(F)(F)F ZINC000629562949 652493532 /nfs/dbraw/zinc/49/35/32/652493532.db2.gz ORJVSEDNMIPSJP-ZIAGYGMSSA-N 2 1 375.460 2.482 20 0 GEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccnc(Br)c2)CC1 ZINC000758181925 652532963 /nfs/dbraw/zinc/53/29/63/652532963.db2.gz FDUNBVRPCUKCHZ-UHFFFAOYSA-N 2 1 376.258 2.243 20 0 GEADMP CN1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639049073 652917662 /nfs/dbraw/zinc/91/76/62/652917662.db2.gz HKPROKZDYHYGBH-KSZLIROESA-N 2 1 382.346 2.241 20 0 GEADMP CN1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639049073 652917664 /nfs/dbraw/zinc/91/76/64/652917664.db2.gz HKPROKZDYHYGBH-KSZLIROESA-N 2 1 382.346 2.241 20 0 GEADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc(F)cc3Br)nn2)CC1 ZINC000640899318 653144982 /nfs/dbraw/zinc/14/49/82/653144982.db2.gz IEKNHMCLXGWAEV-UHFFFAOYSA-N 2 1 382.281 2.194 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818975172 653739697 /nfs/dbraw/zinc/73/96/97/653739697.db2.gz JVKUIOZFEKWFIM-QGZVFWFLSA-N 2 1 389.309 2.496 20 0 GEADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000818997493 653740325 /nfs/dbraw/zinc/74/03/25/653740325.db2.gz BUNPPPFZEDYNGS-DLBZAZTESA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000818997493 653740327 /nfs/dbraw/zinc/74/03/27/653740327.db2.gz BUNPPPFZEDYNGS-DLBZAZTESA-N 2 1 398.345 2.015 20 0 GEADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000819043196 653741303 /nfs/dbraw/zinc/74/13/03/653741303.db2.gz PUNJENJPQOHWER-QGZVFWFLSA-N 2 1 398.345 2.015 20 0 GEADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000819060945 653742199 /nfs/dbraw/zinc/74/21/99/653742199.db2.gz JEFCZJXQNADZKZ-SFHVURJKSA-N 2 1 384.362 2.490 20 0 GEADMP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711548 653813812 /nfs/dbraw/zinc/81/38/12/653813812.db2.gz MELQGAZCSOKAHG-BMFZPTHFSA-N 2 1 380.286 2.124 20 0 GEADMP Cc1c(Br)cccc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711548 653813815 /nfs/dbraw/zinc/81/38/15/653813815.db2.gz MELQGAZCSOKAHG-BMFZPTHFSA-N 2 1 380.286 2.124 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(N(C)C)nc1Cl ZINC000822951660 653847117 /nfs/dbraw/zinc/84/71/17/653847117.db2.gz DWHLFHOQDYQPNW-CYBMUJFWSA-N 2 1 387.981 2.351 20 0 GEADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000884196195 653867639 /nfs/dbraw/zinc/86/76/39/653867639.db2.gz KHSDLRXZNLYNIE-VBQJREDUSA-N 2 1 398.345 2.455 20 0 GEADMP C[NH+]1CCN([C@H](CNC(=[NH2+])NCCc2cccs2)c2cccs2)CC1 ZINC000849055336 654003618 /nfs/dbraw/zinc/00/36/18/654003618.db2.gz PQKIMJXLJQRLQV-MRXNPFEDSA-N 2 1 377.583 2.455 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000849104203 654004389 /nfs/dbraw/zinc/00/43/89/654004389.db2.gz MCEAFYWFIQELEY-DOTOQJQBSA-N 2 1 397.361 2.198 20 0 GEADMP [NH3+][C@H](C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000852858172 654263731 /nfs/dbraw/zinc/26/37/31/654263731.db2.gz SGJBPQYOTDRADW-YOEHRIQHSA-N 2 1 396.329 2.209 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719453 654280987 /nfs/dbraw/zinc/28/09/87/654280987.db2.gz ZVNJZVCPLXYFST-YJBOKZPZSA-N 2 1 396.329 2.396 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719453 654280991 /nfs/dbraw/zinc/28/09/91/654280991.db2.gz ZVNJZVCPLXYFST-YJBOKZPZSA-N 2 1 396.329 2.396 20 0 GEADMP Cc1cc(S(=O)(=O)N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c(C)s1 ZINC000903903304 654290945 /nfs/dbraw/zinc/29/09/45/654290945.db2.gz HVIYFMJBRSRPSU-ALOPSCKCSA-N 2 1 383.583 2.202 20 0 GEADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)CCC(F)(F)F ZINC000922187490 654374593 /nfs/dbraw/zinc/37/45/93/654374593.db2.gz IAOBKEHPHVZUQW-ZIAGYGMSSA-N 2 1 382.496 2.140 20 0 GEADMP CC[NH+](CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)CCC(F)(F)F ZINC000922187490 654374596 /nfs/dbraw/zinc/37/45/96/654374596.db2.gz IAOBKEHPHVZUQW-ZIAGYGMSSA-N 2 1 382.496 2.140 20 0 GEADMP CC[NH+](CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)CCC(F)(F)F ZINC000922187490 654374601 /nfs/dbraw/zinc/37/46/01/654374601.db2.gz IAOBKEHPHVZUQW-ZIAGYGMSSA-N 2 1 382.496 2.140 20 0 GEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923348814 654446033 /nfs/dbraw/zinc/44/60/33/654446033.db2.gz LHPLKLQFKOAFMI-IUODEOHRSA-N 2 1 375.282 2.389 20 0 GEADMP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1Br ZINC000925684390 654547726 /nfs/dbraw/zinc/54/77/26/654547726.db2.gz ABQSQMNPTVQZDP-YOEHRIQHSA-N 2 1 383.330 2.483 20 0 GEADMP CC[NH2+]CC1CCN(C(=O)[C@H]([NH3+])c2cc(Br)ccc2OC)CC1 ZINC000911863846 654734590 /nfs/dbraw/zinc/73/45/90/654734590.db2.gz JFHMAXUYWWGKBK-MRXNPFEDSA-N 2 1 384.318 2.306 20 0 GEADMP C[N@@H+](Cc1ccc(N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)nc1)C1CC1 ZINC001164633501 719266807 /nfs/dbraw/zinc/26/68/07/719266807.db2.gz DAJUHTTXNZROBH-UHFFFAOYSA-N 2 1 391.479 2.438 20 0 GEADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164650380 719315452 /nfs/dbraw/zinc/31/54/52/719315452.db2.gz CKRIEEYAWRHFCZ-UHFFFAOYSA-N 2 1 399.543 2.009 20 0 GEADMP COC(=O)c1cnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)c1 ZINC001164685742 719601122 /nfs/dbraw/zinc/60/11/22/719601122.db2.gz VRZCFBJOPGOFNE-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COC(=O)c1cnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)c1 ZINC001164685742 719601125 /nfs/dbraw/zinc/60/11/25/719601125.db2.gz VRZCFBJOPGOFNE-UHFFFAOYSA-N 2 1 377.876 2.193 20 0 GEADMP COC(=O)c1cc2c[nH]c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)cc-2n1 ZINC001164680622 719633916 /nfs/dbraw/zinc/63/39/16/719633916.db2.gz YYDXIPZTJMHUFB-UHFFFAOYSA-N 2 1 382.468 2.021 20 0 GEADMP COC(=O)c1cc2c[nH]c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)cc-2n1 ZINC001164680622 719633922 /nfs/dbraw/zinc/63/39/22/719633922.db2.gz YYDXIPZTJMHUFB-UHFFFAOYSA-N 2 1 382.468 2.021 20 0 GEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164807109 720124528 /nfs/dbraw/zinc/12/45/28/720124528.db2.gz BKPHHOCOYZFEPO-PGRDOPGGSA-N 2 1 399.539 2.262 20 0 GEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164807109 720124532 /nfs/dbraw/zinc/12/45/32/720124532.db2.gz BKPHHOCOYZFEPO-PGRDOPGGSA-N 2 1 399.539 2.262 20 0 GEADMP C[C@H]1CCCN1C(=O)c1nn(-c2ccc(C[N@@H+](C)C3CC3)cn2)c2c1C[NH2+]CC2 ZINC001164848004 720806110 /nfs/dbraw/zinc/80/61/10/720806110.db2.gz BLFPVTQZYVKZQL-HNNXBMFYSA-N 2 1 394.523 2.132 20 0 GEADMP CN(C)c1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164738385 720827415 /nfs/dbraw/zinc/82/74/15/720827415.db2.gz FEIMAPBGKDTFSX-YZGWKJHDSA-N 2 1 381.528 2.119 20 0 GEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)C[C@H]3C2)cn1 ZINC001164773910 721194348 /nfs/dbraw/zinc/19/43/48/721194348.db2.gz YHEZWUDWZQAAKK-LEWJYISDSA-N 2 1 380.540 2.369 20 0 GEADMP Cn1ccc2c1cc[nH+]c2N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164885069 721396805 /nfs/dbraw/zinc/39/68/05/721396805.db2.gz CHPOOUPBIKQTHP-PGRDOPGGSA-N 2 1 383.540 2.339 20 0 GEADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000177699140 532179998 /nfs/dbraw/zinc/17/99/98/532179998.db2.gz SGZGEEXHOVBJNK-UHFFFAOYSA-N 2 1 386.309 2.478 20 0 GEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cncc(Br)c2)CC1 ZINC000517652760 532422834 /nfs/dbraw/zinc/42/28/34/532422834.db2.gz YYXWXKFIVQPMTH-UHFFFAOYSA-N 2 1 376.258 2.243 20 0 GEADMP C[C@@H]1CN(CC(=O)NCc2ccc(Cl)s2)CC[N@@H+]1C1CCN(C)CC1 ZINC000373531999 532456123 /nfs/dbraw/zinc/45/61/23/532456123.db2.gz VMSZRCCUSAKXCN-CQSZACIVSA-N 2 1 384.977 2.118 20 0 GEADMP COc1ccc(Br)c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000470013208 532517682 /nfs/dbraw/zinc/51/76/82/532517682.db2.gz NARDVQQPMQSZLJ-CQSZACIVSA-N 2 1 396.329 2.102 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCc3cc(F)cc(Br)c3C2)C1 ZINC000629672615 532499533 /nfs/dbraw/zinc/49/95/33/532499533.db2.gz XDKZYQOBRZGKAG-LBPRGKRZSA-N 2 1 384.293 2.144 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCc3cc(F)cc(Br)c3C2)C1 ZINC000629672615 532499535 /nfs/dbraw/zinc/49/95/35/532499535.db2.gz XDKZYQOBRZGKAG-LBPRGKRZSA-N 2 1 384.293 2.144 20 0 GEADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430641868 532501631 /nfs/dbraw/zinc/50/16/31/532501631.db2.gz JKNQZQQOCYBUOR-VXGBXAGGSA-N 2 1 387.311 2.107 20 0 GEADMP C[N@H+](C[C@H](O)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1)C1CC1 ZINC000566118743 532594952 /nfs/dbraw/zinc/59/49/52/532594952.db2.gz GPWGTJVFPJFVTR-LJQANCHMSA-N 2 1 396.373 2.458 20 0 GEADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1)C1CC1 ZINC000566118743 532594958 /nfs/dbraw/zinc/59/49/58/532594958.db2.gz GPWGTJVFPJFVTR-LJQANCHMSA-N 2 1 396.373 2.458 20 0 GEADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261735301 532577587 /nfs/dbraw/zinc/57/75/87/532577587.db2.gz LHRPAIIHTZSSPW-FUHWJXTLSA-N 2 1 398.345 2.096 20 0 GEADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1Br ZINC000567899484 532670075 /nfs/dbraw/zinc/67/00/75/532670075.db2.gz SSMYOHCTVBDDAK-AWEZNQCLSA-N 2 1 384.318 2.147 20 0 GEADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCOc1ccccc1Br ZINC000567899484 532670081 /nfs/dbraw/zinc/67/00/81/532670081.db2.gz SSMYOHCTVBDDAK-AWEZNQCLSA-N 2 1 384.318 2.147 20 0 GEADMP O[C@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C[NH+]1CCCCC1 ZINC000582606049 532761011 /nfs/dbraw/zinc/76/10/11/532761011.db2.gz GQVYIDCQAGGUDB-KGLIPLIRSA-N 2 1 377.312 2.170 20 0 GEADMP CC[N@@H+](CCOc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414743627 532834701 /nfs/dbraw/zinc/83/47/01/532834701.db2.gz NLOZMLCNYUNYLA-OAHLLOKOSA-N 2 1 398.345 2.347 20 0 GEADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc(I)c1OC ZINC000414946397 532836017 /nfs/dbraw/zinc/83/60/17/532836017.db2.gz TXRGEEFSTHIWLI-ZWNOBZJWSA-N 2 1 390.265 2.396 20 0 GEADMP Cc1cc(Br)cn2c(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cnc12 ZINC000289505808 532856891 /nfs/dbraw/zinc/85/68/91/532856891.db2.gz UDVXFOHOVKAWIQ-UHFFFAOYSA-N 2 1 394.361 2.475 20 0 GEADMP C[NH+]1CCC(O)(C[NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000290778428 532889202 /nfs/dbraw/zinc/88/92/02/532889202.db2.gz BXASEEYNAMCSLC-UHFFFAOYSA-N 2 1 393.123 2.153 20 0 GEADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000360695955 532890578 /nfs/dbraw/zinc/89/05/78/532890578.db2.gz BKCTXCNVAXOVIM-QGZVFWFLSA-N 2 1 384.293 2.231 20 0 GEADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736231785 599135318 /nfs/dbraw/zinc/13/53/18/599135318.db2.gz XTAUFILVROBSLC-JSGCOSHPSA-N 2 1 391.907 2.263 20 0 GEADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@H+]1C ZINC000736231785 599135321 /nfs/dbraw/zinc/13/53/21/599135321.db2.gz XTAUFILVROBSLC-JSGCOSHPSA-N 2 1 391.907 2.263 20 0 GEADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[NH+]1C ZINC000736231785 599135324 /nfs/dbraw/zinc/13/53/24/599135324.db2.gz XTAUFILVROBSLC-JSGCOSHPSA-N 2 1 391.907 2.263 20 0 GEADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[NH+]1C ZINC000736231785 599135326 /nfs/dbraw/zinc/13/53/26/599135326.db2.gz XTAUFILVROBSLC-JSGCOSHPSA-N 2 1 391.907 2.263 20 0 GEADMP CC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](CC)CC ZINC000736313158 599358538 /nfs/dbraw/zinc/35/85/38/599358538.db2.gz LWPPRKGPXWNTPE-LJQANCHMSA-N 2 1 399.543 2.021 20 0 GEADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737845206 599590338 /nfs/dbraw/zinc/59/03/38/599590338.db2.gz XUICSSPMQUYHCP-SFHVURJKSA-N 2 1 383.500 2.146 20 0 GEADMP C[N@H+]1CCN(CCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)[C@@H](c2ccccc2)C1 ZINC000821627395 606209817 /nfs/dbraw/zinc/20/98/17/606209817.db2.gz ZGZPLROVYRXRQF-LJQANCHMSA-N 2 1 397.552 2.397 20 0 GEADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824624567 609406985 /nfs/dbraw/zinc/40/69/85/609406985.db2.gz AEXRDVFYJGNQIL-KSSFIOAISA-N 2 1 396.470 2.423 20 0 GEADMP OCC[NH+]1CCN(CCCC[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000449151889 650032980 /nfs/dbraw/zinc/03/29/80/650032980.db2.gz YTEJITCGWKSTSU-UHFFFAOYSA-N 2 1 388.325 2.068 20 0 GEADMP Cn1cc(I)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000459562355 650428836 /nfs/dbraw/zinc/42/88/36/650428836.db2.gz CLOVRSAEMGFDPL-UHFFFAOYSA-N 2 1 397.264 2.178 20 0 GEADMP CC[N@@H+](CCNC(=O)NCC1(SC)CC[NH+](C)CC1)CCC(F)(F)F ZINC000460664844 650444349 /nfs/dbraw/zinc/44/43/49/650444349.db2.gz UIRDNRRZCXZPET-UHFFFAOYSA-N 2 1 384.512 2.387 20 0 GEADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC(C(=O)N3CCSCC3)CC2)s1 ZINC000512133665 650545654 /nfs/dbraw/zinc/54/56/54/650545654.db2.gz WALQDAXCNBAESA-UHFFFAOYSA-N 2 1 382.599 2.429 20 0 GEADMP C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512350053 650546679 /nfs/dbraw/zinc/54/66/79/650546679.db2.gz GEWLYZHZMLZBPE-AWEZNQCLSA-N 2 1 382.555 2.051 20 0 GEADMP C[NH+](C)[C@@]1(CNC(=O)N2CC[NH+](CCc3cccs3)CC2)CCSC1 ZINC000481785867 650653299 /nfs/dbraw/zinc/65/32/99/650653299.db2.gz VJBIIRLNIOTSPY-GOSISDBHSA-N 2 1 382.599 2.055 20 0 GEADMP CS[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000490860081 650780853 /nfs/dbraw/zinc/78/08/53/650780853.db2.gz QNHFOFORFUKHQY-YIYPIFLZSA-N 2 1 381.508 2.399 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000110094374 643305591 /nfs/dbraw/zinc/30/55/91/643305591.db2.gz AKTMOYWCBSLDIH-CQSZACIVSA-N 2 1 375.485 2.001 20 0 GEADMP C[C@@H]([NH3+])C1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000110649916 643316330 /nfs/dbraw/zinc/31/63/30/643316330.db2.gz LVPFOPVJLQGMSQ-GFCCVEGCSA-N 2 1 375.332 2.282 20 0 GEADMP O=C(NCC[NH+]1CCSCC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000264857686 645724318 /nfs/dbraw/zinc/72/43/18/645724318.db2.gz MWADOBZFBFRJQM-INIZCTEOSA-N 2 1 382.599 2.308 20 0 GEADMP O=C(NCC[NH+]1CCSCC1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264857686 645724329 /nfs/dbraw/zinc/72/43/29/645724329.db2.gz MWADOBZFBFRJQM-INIZCTEOSA-N 2 1 382.599 2.308 20 0 GEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000280706134 646708248 /nfs/dbraw/zinc/70/82/48/646708248.db2.gz LWNNSYMNFABKAI-NEPJUHHUSA-N 2 1 390.347 2.089 20 0 GEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000280706134 646708261 /nfs/dbraw/zinc/70/82/61/646708261.db2.gz LWNNSYMNFABKAI-NEPJUHHUSA-N 2 1 390.347 2.089 20 0 GEADMP COc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(Br)c1O ZINC000333172955 647463637 /nfs/dbraw/zinc/46/36/37/647463637.db2.gz QDWMIPYXQHQBCI-KGLIPLIRSA-N 2 1 397.313 2.364 20 0 GEADMP COc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(Br)c1O ZINC000333172955 647463638 /nfs/dbraw/zinc/46/36/38/647463638.db2.gz QDWMIPYXQHQBCI-KGLIPLIRSA-N 2 1 397.313 2.364 20 0 GEADMP O=C(NCC[N@H+]1CCCOCC1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000364840429 647645425 /nfs/dbraw/zinc/64/54/25/647645425.db2.gz MWFHDYIGWDIURP-UHFFFAOYSA-N 2 1 385.961 2.452 20 0 GEADMP C[N@H+]1CC[C@@H](CNS(=O)(=O)CC[NH+]2CCCC2)[C@H]1c1cccc(Cl)c1 ZINC000365110182 647659294 /nfs/dbraw/zinc/65/92/94/647659294.db2.gz LINHYDRZWBTNDI-FUHWJXTLSA-N 2 1 385.961 2.348 20 0 GEADMP C[N@H+]1CC[C@H](CNS(=O)(=O)CC[NH+]2CCCC2)[C@H]1c1cccc(Cl)c1 ZINC000365110183 647659400 /nfs/dbraw/zinc/65/94/00/647659400.db2.gz LINHYDRZWBTNDI-SJLPKXTDSA-N 2 1 385.961 2.348 20 0 GEADMP CC[C@H]([NH3+])CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417882864 648264650 /nfs/dbraw/zinc/26/46/50/648264650.db2.gz GMKCJPANWFGENT-HNNXBMFYSA-N 2 1 383.334 2.450 20 0 GEADMP CC(C)(C[NH3+])NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417888337 648264691 /nfs/dbraw/zinc/26/46/91/648264691.db2.gz MEZBNWYNBDRENN-UHFFFAOYSA-N 2 1 383.334 2.450 20 0 GEADMP Brc1cc2c(cc1C[N@@H+]1CC[C@@H](N3CC[NH2+]CC3)C1)OCCCO2 ZINC000420347940 648413598 /nfs/dbraw/zinc/41/35/98/648413598.db2.gz ISPPVUSKKLUOJR-OAHLLOKOSA-N 2 1 396.329 2.090 20 0 GEADMP Brc1cc2c(cc1C[N@H+]1CC[C@@H](N3CC[NH2+]CC3)C1)OCCCO2 ZINC000420347940 648413600 /nfs/dbraw/zinc/41/36/00/648413600.db2.gz ISPPVUSKKLUOJR-OAHLLOKOSA-N 2 1 396.329 2.090 20 0 GEADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCOc3ccccc3Br)C2)nn1 ZINC000420387781 648415178 /nfs/dbraw/zinc/41/51/78/648415178.db2.gz WKBCGCUJVWNTOD-CQSZACIVSA-N 2 1 380.290 2.215 20 0 GEADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCOc3ccccc3Br)C2)nn1 ZINC000420387781 648415180 /nfs/dbraw/zinc/41/51/80/648415180.db2.gz WKBCGCUJVWNTOD-CQSZACIVSA-N 2 1 380.290 2.215 20 0 GEADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)s1 ZINC000422721575 648574154 /nfs/dbraw/zinc/57/41/54/648574154.db2.gz VPXLRHURFINPCF-CYBMUJFWSA-N 2 1 382.555 2.479 20 0 GEADMP [NH3+]CC[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000443057851 648858368 /nfs/dbraw/zinc/85/83/68/648858368.db2.gz IJGIUGASMWUYCV-CYBMUJFWSA-N 2 1 375.332 2.284 20 0 GEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000443057851 648858374 /nfs/dbraw/zinc/85/83/74/648858374.db2.gz IJGIUGASMWUYCV-CYBMUJFWSA-N 2 1 375.332 2.284 20 0 GEADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000554717688 651211313 /nfs/dbraw/zinc/21/13/13/651211313.db2.gz GIDLJEKLEXZIBL-CYBMUJFWSA-N 2 1 386.309 2.273 20 0 GEADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000555537735 651228172 /nfs/dbraw/zinc/22/81/72/651228172.db2.gz VCKIGELBDUFSDL-JKSUJKDBSA-N 2 1 394.357 2.483 20 0 GEADMP COc1cc(Br)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1O ZINC000572286012 651882965 /nfs/dbraw/zinc/88/29/65/651882965.db2.gz PMBBBVNAHWBVPV-PBHICJAKSA-N 2 1 385.302 2.492 20 0 GEADMP COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1Br ZINC000617503772 651954872 /nfs/dbraw/zinc/95/48/72/651954872.db2.gz YQEVMPRKKYVNQF-ZDUSSCGKSA-N 2 1 386.334 2.460 20 0 GEADMP COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC000617503772 651954875 /nfs/dbraw/zinc/95/48/75/651954875.db2.gz YQEVMPRKKYVNQF-ZDUSSCGKSA-N 2 1 386.334 2.460 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)COc1ccc(Br)cc1 ZINC000617503549 651954974 /nfs/dbraw/zinc/95/49/74/651954974.db2.gz OATRNNSHNGAQBB-AWEZNQCLSA-N 2 1 386.334 2.216 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)COc1ccc(Br)cc1 ZINC000617503549 651954976 /nfs/dbraw/zinc/95/49/76/651954976.db2.gz OATRNNSHNGAQBB-AWEZNQCLSA-N 2 1 386.334 2.216 20 0 GEADMP COc1cc(Br)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504862 651955022 /nfs/dbraw/zinc/95/50/22/651955022.db2.gz NFJCPKMLACMVNS-ZDUSSCGKSA-N 2 1 386.334 2.460 20 0 GEADMP COc1cc(Br)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504862 651955032 /nfs/dbraw/zinc/95/50/32/651955032.db2.gz NFJCPKMLACMVNS-ZDUSSCGKSA-N 2 1 386.334 2.460 20 0 GEADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H](C)CC(F)(F)F ZINC000656890348 652062855 /nfs/dbraw/zinc/06/28/55/652062855.db2.gz GZWMDMPDLPRKJA-HUUCEWRRSA-N 2 1 387.512 2.253 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H](C)CC(F)(F)F ZINC000656890348 652062858 /nfs/dbraw/zinc/06/28/58/652062858.db2.gz GZWMDMPDLPRKJA-HUUCEWRRSA-N 2 1 387.512 2.253 20 0 GEADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662535122 652466488 /nfs/dbraw/zinc/46/64/88/652466488.db2.gz DQJFFGZVAOYGRY-JTQLQIEISA-N 2 1 390.347 2.200 20 0 GEADMP [NH3+][C@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccccc1Br ZINC000662764531 652473555 /nfs/dbraw/zinc/47/35/55/652473555.db2.gz QKOAFUYDVPFJLD-BZNIZROVSA-N 2 1 375.270 2.299 20 0 GEADMP COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629560099 652493135 /nfs/dbraw/zinc/49/31/35/652493135.db2.gz XGQINJPBMHOHMP-INIZCTEOSA-N 2 1 396.329 2.417 20 0 GEADMP O[C@]1(C[NH2+]CCCn2cc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000634715168 652658162 /nfs/dbraw/zinc/65/81/62/652658162.db2.gz YUFUOFHQJPODIM-SFHVURJKSA-N 2 1 393.329 2.262 20 0 GEADMP O[C@]1(C[NH2+]CCCn2cc(Br)cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715168 652658164 /nfs/dbraw/zinc/65/81/64/652658164.db2.gz YUFUOFHQJPODIM-SFHVURJKSA-N 2 1 393.329 2.262 20 0 GEADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000638563759 652895301 /nfs/dbraw/zinc/89/53/01/652895301.db2.gz QCPKWGZGYRCIPR-XWIASGKRSA-N 2 1 394.235 2.435 20 0 GEADMP Cc1cc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)ccc1Br ZINC000641129363 653160453 /nfs/dbraw/zinc/16/04/53/653160453.db2.gz LTTLYRKYRCHGMA-UHFFFAOYSA-N 2 1 378.318 2.363 20 0 GEADMP CN1CC[NH+](CCCC[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000809606268 653283925 /nfs/dbraw/zinc/28/39/25/653283925.db2.gz XNLKBALGSBIMPF-UHFFFAOYSA-N 2 1 380.334 2.214 20 0 GEADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876894441 653452410 /nfs/dbraw/zinc/45/24/10/653452410.db2.gz VPTALVADXBSBGE-LWWSYDQCSA-N 2 1 375.822 2.428 20 0 GEADMP [NH3+]C[C@H]1CN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C[C@H]1C(F)(F)F ZINC000877355071 653478124 /nfs/dbraw/zinc/47/81/24/653478124.db2.gz GGHHRIHSBYFXGB-POYBYMJQSA-N 2 1 398.248 2.323 20 0 GEADMP Cn1nc(C(F)(F)F)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1Cl ZINC000841069855 653705767 /nfs/dbraw/zinc/70/57/67/653705767.db2.gz FBQIARYSGFILKR-SECBINFHSA-N 2 1 393.763 2.018 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818975810 653739634 /nfs/dbraw/zinc/73/96/34/653739634.db2.gz XSIRVLNSMTWZSF-INIZCTEOSA-N 2 1 375.282 2.322 20 0 GEADMP O=C(CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cccc(Br)c1 ZINC000818986584 653739964 /nfs/dbraw/zinc/73/99/64/653739964.db2.gz QDJIJTUBQLWJIR-CVEARBPZSA-N 2 1 382.302 2.231 20 0 GEADMP O=C(CC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1cccc(Br)c1 ZINC000818986584 653739965 /nfs/dbraw/zinc/73/99/65/653739965.db2.gz QDJIJTUBQLWJIR-CVEARBPZSA-N 2 1 382.302 2.231 20 0 GEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000846221733 653891831 /nfs/dbraw/zinc/89/18/31/653891831.db2.gz DLPASLFBVXXGCW-QGPMSJSTSA-N 2 1 386.945 2.332 20 0 GEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000846221733 653891835 /nfs/dbraw/zinc/89/18/35/653891835.db2.gz DLPASLFBVXXGCW-QGPMSJSTSA-N 2 1 386.945 2.332 20 0 GEADMP C[C@]12CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@H]1C2(Br)Br ZINC000852754407 654258917 /nfs/dbraw/zinc/25/89/17/654258917.db2.gz GGXWNHLBPUWFOO-TUAOUCFPSA-N 2 1 394.151 2.335 20 0 GEADMP [NH3+]C[C@@H]1CC(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)=NO1 ZINC000852866860 654264437 /nfs/dbraw/zinc/26/44/37/654264437.db2.gz MRRDUIDQZBIFTQ-ZDUSSCGKSA-N 2 1 385.295 2.178 20 0 GEADMP O[C@@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]1c1ccc(Br)cc1 ZINC000903777035 654283336 /nfs/dbraw/zinc/28/33/36/654283336.db2.gz ZGUZBNRVDRCTHO-BRSBDYLESA-N 2 1 381.314 2.325 20 0 GEADMP O[C@@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]1c1ccc(Br)cc1 ZINC000903777035 654283341 /nfs/dbraw/zinc/28/33/41/654283341.db2.gz ZGUZBNRVDRCTHO-BRSBDYLESA-N 2 1 381.314 2.325 20 0 GEADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000904334104 654307822 /nfs/dbraw/zinc/30/78/22/654307822.db2.gz LTMAXNQWMGRNSF-BJHJDKERSA-N 2 1 378.325 2.037 20 0 GEADMP CC[N@@H+](CCNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)CCC(F)(F)F ZINC000891857211 654315217 /nfs/dbraw/zinc/31/52/17/654315217.db2.gz RWHNKHHDBMCJOW-MNOVXSKESA-N 2 1 378.361 2.039 20 0 GEADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Br)nn3C)C2)[C@H]1C(C)C ZINC000922394710 654389660 /nfs/dbraw/zinc/38/96/60/654389660.db2.gz RPFHLHWXHAGEGS-SRABZTEZSA-N 2 1 385.350 2.142 20 0 GEADMP C[N@H+]1CC[C@H]1CNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000922916960 654420171 /nfs/dbraw/zinc/42/01/71/654420171.db2.gz STRLPVGQJXYIAN-KRWDZBQOSA-N 2 1 395.345 2.417 20 0 GEADMP COCCC1([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC[NH2+]CC1 ZINC000873224332 654422790 /nfs/dbraw/zinc/42/27/90/654422790.db2.gz BOVVXIMOEGZRBD-UHFFFAOYSA-N 2 1 385.302 2.469 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923297305 654442217 /nfs/dbraw/zinc/44/22/17/654442217.db2.gz HBTOCLNHHNHTRA-AWEZNQCLSA-N 2 1 382.302 2.006 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923297305 654442222 /nfs/dbraw/zinc/44/22/22/654442222.db2.gz HBTOCLNHHNHTRA-AWEZNQCLSA-N 2 1 382.302 2.006 20 0 GEADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3ncc(Br)cc32)C1 ZINC000924966876 654530046 /nfs/dbraw/zinc/53/00/46/654530046.db2.gz UYAABCPMOHYCOK-CJNGLKHVSA-N 2 1 395.345 2.399 20 0 GEADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3ncc(Br)cc32)C1 ZINC000924966876 654530048 /nfs/dbraw/zinc/53/00/48/654530048.db2.gz UYAABCPMOHYCOK-CJNGLKHVSA-N 2 1 395.345 2.399 20 0 GEADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925175082 654536281 /nfs/dbraw/zinc/53/62/81/654536281.db2.gz UGFNXBSGYKCBKR-IAGOWNOFSA-N 2 1 382.599 2.401 20 0 GEADMP COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1Br ZINC000925684378 654547654 /nfs/dbraw/zinc/54/76/54/654547654.db2.gz ABQSQMNPTVQZDP-RHSMWYFYSA-N 2 1 383.330 2.483 20 0 GEADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])c1ccccc1I ZINC000911867024 654734553 /nfs/dbraw/zinc/73/45/53/654734553.db2.gz GEFDOLOLMBGTNM-UONOGXRCSA-N 2 1 389.281 2.123 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484160 654743553 /nfs/dbraw/zinc/74/35/53/654743553.db2.gz OHXKLNRXWLHULW-ZDUSSCGKSA-N 2 1 384.318 2.165 20 0 GEADMP C(c1nc2sc3c(c2c(N2CCOCC24C[NH2+]C4)n1)CCC3)[NH+]1CCCCC1 ZINC001164401635 718860339 /nfs/dbraw/zinc/86/03/39/718860339.db2.gz GNDXBDTYYKCRLL-UHFFFAOYSA-N 2 1 399.564 2.345 20 0 GEADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)nc1 ZINC001164415532 718885558 /nfs/dbraw/zinc/88/55/58/718885558.db2.gz JKLGAPIINMALPI-GOSISDBHSA-N 2 1 381.528 2.319 20 0 GEADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164814340 720138070 /nfs/dbraw/zinc/13/80/70/720138070.db2.gz RUBRXAYRTVUXFO-OFNKIYASSA-N 2 1 399.583 2.018 20 0 GEADMP c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)nn2)c1 ZINC001164726792 720465650 /nfs/dbraw/zinc/46/56/50/720465650.db2.gz MAFKKCUYRXPURF-UXHICEINSA-N 2 1 394.523 2.103 20 0 GEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c(n3)CC[NH2+]C4)CC[C@@H]21 ZINC001164832820 720515730 /nfs/dbraw/zinc/51/57/30/720515730.db2.gz BMXJCEPTCANUSV-DYXWJJEUSA-N 2 1 380.540 2.302 20 0 GEADMP CN(C)c1cccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164752589 720813918 /nfs/dbraw/zinc/81/39/18/720813918.db2.gz ZHCJFADWIIXHPP-GBESFXJTSA-N 2 1 381.528 2.119 20 0 GEADMP CN(C)c1cc[nH+]c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164945886 721974043 /nfs/dbraw/zinc/97/40/43/721974043.db2.gz UKLIHVDPFFZLLT-UHFFFAOYSA-N 2 1 379.508 2.119 20 0 GEADMP CN(C)c1cc[nH+]c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164945886 721974045 /nfs/dbraw/zinc/97/40/45/721974045.db2.gz UKLIHVDPFFZLLT-UHFFFAOYSA-N 2 1 379.508 2.119 20 0 GEADMP c1cncc(C[N@H+]2CCC3(C2)CCN(c2ncnc4c2CC[NH2+]CC4)CC3)c1 ZINC001164955539 722012436 /nfs/dbraw/zinc/01/24/36/722012436.db2.gz WFUKNMZRLKGCCT-UHFFFAOYSA-N 2 1 378.524 2.052 20 0 GEADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975475 722098916 /nfs/dbraw/zinc/09/89/16/722098916.db2.gz BWJQKXYYBDTYSP-VQTJNVASSA-N 2 1 396.539 2.363 20 0 GEADMP O=C(Cn1ccnc1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000162668232 531845068 /nfs/dbraw/zinc/84/50/68/531845068.db2.gz NLBLPHRPELDTNN-UHFFFAOYSA-N 2 1 377.286 2.426 20 0 GEADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)s1 ZINC000183610711 532326641 /nfs/dbraw/zinc/32/66/41/532326641.db2.gz DNHGZXMCLPFZAK-UHFFFAOYSA-N 2 1 378.464 2.360 20 0 GEADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000647522882 532374542 /nfs/dbraw/zinc/37/45/42/532374542.db2.gz PYEHBULBFJHWLY-JKSUJKDBSA-N 2 1 391.339 2.416 20 0 GEADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191455192 532361035 /nfs/dbraw/zinc/36/10/35/532361035.db2.gz OJYNHXWCTBFWHR-UHFFFAOYSA-N 2 1 397.361 2.475 20 0 GEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000372060850 532370617 /nfs/dbraw/zinc/37/06/17/532370617.db2.gz MNMIUAADJOYBNY-CQSZACIVSA-N 2 1 382.555 2.332 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000560538289 532418793 /nfs/dbraw/zinc/41/87/93/532418793.db2.gz VWBXDYGONHHVPE-KBMXLJTQSA-N 2 1 389.924 2.220 20 0 GEADMP COc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c(Br)c1O ZINC000680626499 532418765 /nfs/dbraw/zinc/41/87/65/532418765.db2.gz AIWUGSOYEKWYTL-UHFFFAOYSA-N 2 1 386.334 2.281 20 0 GEADMP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000295817153 532478581 /nfs/dbraw/zinc/47/85/81/532478581.db2.gz XKVVXYADWKOUPJ-CHWSQXEVSA-N 2 1 386.334 2.250 20 0 GEADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000519816771 532479848 /nfs/dbraw/zinc/47/98/48/532479848.db2.gz FOEARLGVIYPFTC-HNNXBMFYSA-N 2 1 384.318 2.131 20 0 GEADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000519816771 532479857 /nfs/dbraw/zinc/47/98/57/532479857.db2.gz FOEARLGVIYPFTC-HNNXBMFYSA-N 2 1 384.318 2.131 20 0 GEADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)COc2cccc(Br)c2)[nH+]c1 ZINC000562991433 532492334 /nfs/dbraw/zinc/49/23/34/532492334.db2.gz OGTSAJMWGUGTBK-MRXNPFEDSA-N 2 1 394.313 2.984 20 0 GEADMP C[NH2+]CCOCC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000629528900 532495305 /nfs/dbraw/zinc/49/53/05/532495305.db2.gz MPTLBENYLKIJCV-GFCCVEGCSA-N 2 1 382.306 2.225 20 0 GEADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430607534 532501497 /nfs/dbraw/zinc/50/14/97/532501497.db2.gz CHYLIBKLGHVVKA-CQSZACIVSA-N 2 1 391.313 2.284 20 0 GEADMP OC[C@@H]1CCN(Cc2ccc(Br)cc2C[N@H+]2CC[C@@H](CO)C2)C1 ZINC000249244239 532562100 /nfs/dbraw/zinc/56/21/00/532562100.db2.gz DOQBPIVSRVENTG-HUUCEWRRSA-N 2 1 383.330 2.078 20 0 GEADMP C[NH+](C)CCCCNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595941771 532579798 /nfs/dbraw/zinc/57/97/98/532579798.db2.gz CYEHHZLISJHZPI-UHFFFAOYSA-N 2 1 393.294 2.028 20 0 GEADMP C[NH+](C)C(C)(C)CNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595948310 532580102 /nfs/dbraw/zinc/58/01/02/532580102.db2.gz UDIVWHLHISESTO-UHFFFAOYSA-N 2 1 393.294 2.026 20 0 GEADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000566849820 532628064 /nfs/dbraw/zinc/62/80/64/532628064.db2.gz MRRAJOBNEXUYEC-NSHDSACASA-N 2 1 378.336 2.135 20 0 GEADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(I)cc1 ZINC000567889092 532670172 /nfs/dbraw/zinc/67/01/72/532670172.db2.gz XUQIVIKGSASGBM-BETUJISGSA-N 2 1 399.276 2.161 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000411794827 532775641 /nfs/dbraw/zinc/77/56/41/532775641.db2.gz DHACFCKPNVTHPQ-SFHVURJKSA-N 2 1 388.339 2.391 20 0 GEADMP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(c3c(Cl)cccc3Cl)CC2)C1 ZINC000414760432 532834926 /nfs/dbraw/zinc/83/49/26/532834926.db2.gz YSEJZWYHGJEFKH-CQSZACIVSA-N 2 1 385.339 2.313 20 0 GEADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000414759988 532834529 /nfs/dbraw/zinc/83/45/29/532834529.db2.gz POLNVAUOFDJPOB-BBRMVZONSA-N 2 1 396.329 2.402 20 0 GEADMP C[NH+](C)CCN1CCC([NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000289360069 532853528 /nfs/dbraw/zinc/85/35/28/532853528.db2.gz YPLWTBIYAWPHKN-UHFFFAOYSA-N 2 1 380.334 2.212 20 0 GEADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC(C)(C)CCC[NH3+])cc1Br ZINC000415763714 532856395 /nfs/dbraw/zinc/85/63/95/532856395.db2.gz QYQMYEBFVGTDJQ-UHFFFAOYSA-N 2 1 399.333 2.083 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]Cc2cn3ccc(Br)cc3n2)CC1(C)C ZINC000289903742 532867766 /nfs/dbraw/zinc/86/77/66/532867766.db2.gz REERTNKJHPJVBX-UHFFFAOYSA-N 2 1 380.334 2.212 20 0 GEADMP O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000333876253 532874843 /nfs/dbraw/zinc/87/48/43/532874843.db2.gz SYKOVYOAZPRNIB-CYBMUJFWSA-N 2 1 377.963 2.098 20 0 GEADMP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1nc2ccccn2c1Br ZINC000290423046 532880569 /nfs/dbraw/zinc/88/05/69/532880569.db2.gz RDIBEWLVAIKQQP-AWEZNQCLSA-N 2 1 381.318 2.423 20 0 GEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1nc2ccccn2c1Br ZINC000290423046 532880571 /nfs/dbraw/zinc/88/05/71/532880571.db2.gz RDIBEWLVAIKQQP-AWEZNQCLSA-N 2 1 381.318 2.423 20 0 GEADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736231783 599135852 /nfs/dbraw/zinc/13/58/52/599135852.db2.gz XTAUFILVROBSLC-GXTWGEPZSA-N 2 1 391.907 2.263 20 0 GEADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@H+]1C ZINC000736231783 599135855 /nfs/dbraw/zinc/13/58/55/599135855.db2.gz XTAUFILVROBSLC-GXTWGEPZSA-N 2 1 391.907 2.263 20 0 GEADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[NH+]1C ZINC000736231783 599135858 /nfs/dbraw/zinc/13/58/58/599135858.db2.gz XTAUFILVROBSLC-GXTWGEPZSA-N 2 1 391.907 2.263 20 0 GEADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[NH+]1C ZINC000736231783 599135861 /nfs/dbraw/zinc/13/58/61/599135861.db2.gz XTAUFILVROBSLC-GXTWGEPZSA-N 2 1 391.907 2.263 20 0 GEADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)[nH+]1 ZINC000737240932 598243305 /nfs/dbraw/zinc/24/33/05/598243305.db2.gz NHWUJNKEGSSBQX-UHFFFAOYSA-N 2 1 393.495 2.447 20 0 GEADMP C[N@@H+](CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)Cc1ccccc1 ZINC000736798947 598811657 /nfs/dbraw/zinc/81/16/57/598811657.db2.gz KXWRINZVIXLUDA-UHFFFAOYSA-N 2 1 391.523 2.116 20 0 GEADMP O=C(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737843270 599589797 /nfs/dbraw/zinc/58/97/97/599589797.db2.gz JYQWCVKQNGVQHC-AWEZNQCLSA-N 2 1 389.529 2.207 20 0 GEADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737843270 599589800 /nfs/dbraw/zinc/58/98/00/599589800.db2.gz JYQWCVKQNGVQHC-AWEZNQCLSA-N 2 1 389.529 2.207 20 0 GEADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H](c2ccccc2)C1 ZINC000821627378 606409543 /nfs/dbraw/zinc/40/95/43/606409543.db2.gz YVLAMLMFKZHNDM-SFHVURJKSA-N 2 1 397.552 2.397 20 0 GEADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826157637 608736690 /nfs/dbraw/zinc/73/66/90/608736690.db2.gz FGDQULPXZLCDIA-UHFFFAOYSA-N 2 1 378.546 2.499 20 0 GEADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000826508748 609381823 /nfs/dbraw/zinc/38/18/23/609381823.db2.gz AOUPHRKNCCTRCX-QGZVFWFLSA-N 2 1 384.509 2.175 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(I)cc2)CC1(C)C ZINC000449303074 650038139 /nfs/dbraw/zinc/03/81/39/650038139.db2.gz LUDNBQSCMOWFKI-UHFFFAOYSA-N 2 1 387.309 2.407 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(SC)cc1 ZINC000508011757 650472501 /nfs/dbraw/zinc/47/25/01/650472501.db2.gz BVFWNLXGAMEVJI-INIZCTEOSA-N 2 1 385.599 2.445 20 0 GEADMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000510954270 650521490 /nfs/dbraw/zinc/52/14/90/650521490.db2.gz XXLGWIZYGCIRLM-DOMZBBRYSA-N 2 1 377.913 2.077 20 0 GEADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCOc1cccc(Br)c1 ZINC000515060637 650585831 /nfs/dbraw/zinc/58/58/31/650585831.db2.gz XKNHQEUTPYSDHP-OAHLLOKOSA-N 2 1 384.318 2.147 20 0 GEADMP Ic1ccc([C@@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000518376490 650604057 /nfs/dbraw/zinc/60/40/57/650604057.db2.gz VAYJVRAJQJZDKZ-INIZCTEOSA-N 2 1 385.293 2.333 20 0 GEADMP Ic1ccc([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000518376490 650604059 /nfs/dbraw/zinc/60/40/59/650604059.db2.gz VAYJVRAJQJZDKZ-INIZCTEOSA-N 2 1 385.293 2.333 20 0 GEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000518413122 650604920 /nfs/dbraw/zinc/60/49/20/650604920.db2.gz VGLSKRSDAOMKIH-AAEUAGOBSA-N 2 1 380.341 2.202 20 0 GEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000532236000 650746594 /nfs/dbraw/zinc/74/65/94/650746594.db2.gz UMPLTVUCKYBJKU-NVXWUHKLSA-N 2 1 385.599 2.395 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCOc2ccc(Br)cc2)CC1 ZINC000015297989 642379596 /nfs/dbraw/zinc/37/95/96/642379596.db2.gz LWKVSMBCIAJXOB-UHFFFAOYSA-N 2 1 398.345 2.360 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCOc2ccc(Br)cc2)CC1 ZINC000015297989 642379602 /nfs/dbraw/zinc/37/96/02/642379602.db2.gz LWKVSMBCIAJXOB-UHFFFAOYSA-N 2 1 398.345 2.360 20 0 GEADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2cccc(I)c2)CC1 ZINC000070188368 643050169 /nfs/dbraw/zinc/05/01/69/643050169.db2.gz WHUGMWHWEQHXRH-UHFFFAOYSA-N 2 1 387.265 2.291 20 0 GEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280878599 646728299 /nfs/dbraw/zinc/72/82/99/646728299.db2.gz CLJLXIJKDIGIBO-NSHDSACASA-N 2 1 388.331 2.009 20 0 GEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C[NH3+] ZINC000397335294 647898147 /nfs/dbraw/zinc/89/81/47/647898147.db2.gz STZICNUZHQUQFS-JHJVBQTASA-N 2 1 379.302 2.262 20 0 GEADMP C[NH2+][C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000417880470 648263947 /nfs/dbraw/zinc/26/39/47/648263947.db2.gz CIDQXKPHKKSPLN-KRWDZBQOSA-N 2 1 395.345 2.417 20 0 GEADMP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000417897291 648265717 /nfs/dbraw/zinc/26/57/17/648265717.db2.gz XOKVXMDHMDUTHC-AWEZNQCLSA-N 2 1 395.345 2.417 20 0 GEADMP O=C1[C@@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000420345239 648412850 /nfs/dbraw/zinc/41/28/50/648412850.db2.gz ADWQJEKHGTVQEZ-PBHICJAKSA-N 2 1 383.323 2.078 20 0 GEADMP O=C1[C@@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000420345239 648412855 /nfs/dbraw/zinc/41/28/55/648412855.db2.gz ADWQJEKHGTVQEZ-PBHICJAKSA-N 2 1 383.323 2.078 20 0 GEADMP O=C1[C@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000420345240 648413528 /nfs/dbraw/zinc/41/35/28/648413528.db2.gz ADWQJEKHGTVQEZ-RHSMWYFYSA-N 2 1 383.323 2.078 20 0 GEADMP O=C1[C@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000420345240 648413535 /nfs/dbraw/zinc/41/35/35/648413535.db2.gz ADWQJEKHGTVQEZ-RHSMWYFYSA-N 2 1 383.323 2.078 20 0 GEADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022484 648743301 /nfs/dbraw/zinc/74/33/01/648743301.db2.gz SLJVWSHGAAKZPE-DOTOQJQBSA-N 2 1 387.293 2.356 20 0 GEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022484 648743309 /nfs/dbraw/zinc/74/33/09/648743309.db2.gz SLJVWSHGAAKZPE-DOTOQJQBSA-N 2 1 387.293 2.356 20 0 GEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022484 648743313 /nfs/dbraw/zinc/74/33/13/648743313.db2.gz SLJVWSHGAAKZPE-DOTOQJQBSA-N 2 1 387.293 2.356 20 0 GEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022484 648743320 /nfs/dbraw/zinc/74/33/20/648743320.db2.gz SLJVWSHGAAKZPE-DOTOQJQBSA-N 2 1 387.293 2.356 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)[C@H]2CCC[C@H]21 ZINC000556881145 651255708 /nfs/dbraw/zinc/25/57/08/651255708.db2.gz FMLUKSWSNLDHNP-HYVNUMGLSA-N 2 1 385.961 2.471 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644528671 651552472 /nfs/dbraw/zinc/55/24/72/651552472.db2.gz LPZXADYRKILOBG-AWEZNQCLSA-N 2 1 377.312 2.434 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1(C)C ZINC000644639762 651560509 /nfs/dbraw/zinc/56/05/09/651560509.db2.gz YHVCPHJBPGOLBY-AWEZNQCLSA-N 2 1 390.355 2.349 20 0 GEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccccc2I)CC1 ZINC000729683413 651574428 /nfs/dbraw/zinc/57/44/28/651574428.db2.gz NHGAMINNVGNRBI-UHFFFAOYSA-N 2 1 387.309 2.408 20 0 GEADMP CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000569094918 651700588 /nfs/dbraw/zinc/70/05/88/651700588.db2.gz FNVQWAHRWGSXIS-OAHLLOKOSA-N 2 1 375.282 2.402 20 0 GEADMP O=C(CC[NH2+]C[C@@H](O)C[NH+]1CCCCC1)Nc1ccc(Br)cc1 ZINC000570332174 651760919 /nfs/dbraw/zinc/76/09/19/651760919.db2.gz KETTVMAVAVSCRK-MRXNPFEDSA-N 2 1 384.318 2.214 20 0 GEADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835383 651761881 /nfs/dbraw/zinc/76/18/81/651761881.db2.gz WNTRSKYVOVXKRM-UONOGXRCSA-N 2 1 387.355 2.396 20 0 GEADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835383 651761886 /nfs/dbraw/zinc/76/18/86/651761886.db2.gz WNTRSKYVOVXKRM-UONOGXRCSA-N 2 1 387.355 2.396 20 0 GEADMP O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647869535 651763720 /nfs/dbraw/zinc/76/37/20/651763720.db2.gz NPLBJTFBJSRSPX-UHFFFAOYSA-N 2 1 385.961 2.426 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000617507437 651955707 /nfs/dbraw/zinc/95/57/07/651955707.db2.gz WPWHQYCMSLSGLZ-AWEZNQCLSA-N 2 1 397.361 2.264 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000617507437 651955711 /nfs/dbraw/zinc/95/57/11/651955711.db2.gz WPWHQYCMSLSGLZ-AWEZNQCLSA-N 2 1 397.361 2.264 20 0 GEADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H]3CCN(S(C)(=O)=O)C3)C2)s1 ZINC000574523393 652027736 /nfs/dbraw/zinc/02/77/36/652027736.db2.gz OQQIAHXQMGLKRJ-DLBZAZTESA-N 2 1 385.599 2.092 20 0 GEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H]3CCN(S(C)(=O)=O)C3)C2)s1 ZINC000574523393 652027744 /nfs/dbraw/zinc/02/77/44/652027744.db2.gz OQQIAHXQMGLKRJ-DLBZAZTESA-N 2 1 385.599 2.092 20 0 GEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H]3CCN(S(C)(=O)=O)C3)C2)s1 ZINC000574523393 652027753 /nfs/dbraw/zinc/02/77/53/652027753.db2.gz OQQIAHXQMGLKRJ-DLBZAZTESA-N 2 1 385.599 2.092 20 0 GEADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000576043356 652092717 /nfs/dbraw/zinc/09/27/17/652092717.db2.gz LJCJJFYJBMULQD-KDOFPFPSSA-N 2 1 378.314 2.282 20 0 GEADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000576587586 652129929 /nfs/dbraw/zinc/12/99/29/652129929.db2.gz LXSUWHVTLCZMGU-HUUCEWRRSA-N 2 1 397.317 2.001 20 0 GEADMP Cc1c(Br)cncc1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000657358244 652161987 /nfs/dbraw/zinc/16/19/87/652161987.db2.gz IYNUAHXMSKGNPN-UHFFFAOYSA-N 2 1 383.334 2.185 20 0 GEADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662453392 652461861 /nfs/dbraw/zinc/46/18/61/652461861.db2.gz XNVYRVXPZSDQMZ-MRXNPFEDSA-N 2 1 398.345 2.455 20 0 GEADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662488513 652464193 /nfs/dbraw/zinc/46/41/93/652464193.db2.gz QARWEQILFLGUPY-QGZVFWFLSA-N 2 1 398.345 2.455 20 0 GEADMP [NH3+][C@@H](C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1Br ZINC000662576509 652468568 /nfs/dbraw/zinc/46/85/68/652468568.db2.gz VMUALQODOVWERQ-KBRIMQKVSA-N 2 1 396.329 2.194 20 0 GEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000584346344 652517732 /nfs/dbraw/zinc/51/77/32/652517732.db2.gz DIWYZZZFHYEPDK-UGFHNGPFSA-N 2 1 375.282 2.400 20 0 GEADMP [NH3+][C@H]1C[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)c2ccccc21 ZINC000665236339 652549279 /nfs/dbraw/zinc/54/92/79/652549279.db2.gz KRFDCJXYBCVMLE-HOCLYGCPSA-N 2 1 375.270 2.308 20 0 GEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)c2ccccc21 ZINC000665236337 652549375 /nfs/dbraw/zinc/54/93/75/652549375.db2.gz KRFDCJXYBCVMLE-GDBMZVCRSA-N 2 1 375.270 2.308 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccc(Br)o1 ZINC000665638049 652555770 /nfs/dbraw/zinc/55/57/70/652555770.db2.gz XKJJPKBWYOQNOS-ZDUSSCGKSA-N 2 1 389.338 2.456 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccc(Br)o1 ZINC000665638049 652555771 /nfs/dbraw/zinc/55/57/71/652555771.db2.gz XKJJPKBWYOQNOS-ZDUSSCGKSA-N 2 1 389.338 2.456 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634700977 652654520 /nfs/dbraw/zinc/65/45/20/652654520.db2.gz IHPZRINKYVFNAY-INIZCTEOSA-N 2 1 377.312 2.434 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000634712748 652657379 /nfs/dbraw/zinc/65/73/79/652657379.db2.gz LFABUVUZUMPHQJ-INIZCTEOSA-N 2 1 390.355 2.349 20 0 GEADMP COc1nsc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1Br ZINC000638565630 652895381 /nfs/dbraw/zinc/89/53/81/652895381.db2.gz UMXUYORJOFMUSO-UHFFFAOYSA-N 2 1 391.379 2.277 20 0 GEADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000843048266 653777912 /nfs/dbraw/zinc/77/79/12/653777912.db2.gz VIMFLXJNQGMMHY-NSHDSACASA-N 2 1 397.342 2.346 20 0 GEADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1ccccc1Br)C2 ZINC000843111506 653779578 /nfs/dbraw/zinc/77/95/78/653779578.db2.gz FLTOLUOHWDNUKO-UGSOOPFHSA-N 2 1 394.313 2.127 20 0 GEADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884217263 653868347 /nfs/dbraw/zinc/86/83/47/653868347.db2.gz JZTBTPNNBRZRCN-INIZCTEOSA-N 2 1 398.345 2.455 20 0 GEADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1nc2cc(Cl)ccc2s1 ZINC000849057838 654003651 /nfs/dbraw/zinc/00/36/51/654003651.db2.gz VECXSXPFJSXJDS-UHFFFAOYSA-N 2 1 381.933 2.328 20 0 GEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)cnn1C ZINC000903898190 654291143 /nfs/dbraw/zinc/29/11/43/654291143.db2.gz LSNOBYSASIHLCL-RDTXWAMCSA-N 2 1 395.345 2.274 20 0 GEADMP O=S(=O)(c1ccccc1Cl)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903906038 654291420 /nfs/dbraw/zinc/29/14/20/654291420.db2.gz QYDBJAGHMOESGL-MQVJKMGUSA-N 2 1 383.945 2.177 20 0 GEADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000891680773 654306345 /nfs/dbraw/zinc/30/63/45/654306345.db2.gz AHGQGSQHVPZUJX-FZNQNYSPSA-N 2 1 395.345 2.450 20 0 GEADMP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923291408 654441734 /nfs/dbraw/zinc/44/17/34/654441734.db2.gz RMMOFQPXNWPNRD-DGCLKSJQSA-N 2 1 377.710 2.384 20 0 GEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923291408 654441738 /nfs/dbraw/zinc/44/17/38/654441738.db2.gz RMMOFQPXNWPNRD-DGCLKSJQSA-N 2 1 377.710 2.384 20 0 GEADMP O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923331694 654444850 /nfs/dbraw/zinc/44/48/50/654444850.db2.gz NPXBAVHGIUWYAQ-HNNXBMFYSA-N 2 1 387.293 2.403 20 0 GEADMP C[C@]12CC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C[C@H]1C2(Br)Br ZINC000923385645 654447802 /nfs/dbraw/zinc/44/78/02/654447802.db2.gz FPSYDUDCUXKODW-TUAOUCFPSA-N 2 1 394.151 2.193 20 0 GEADMP C[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923412199 654451257 /nfs/dbraw/zinc/45/12/57/654451257.db2.gz PYODGVFCSAJYFS-HOCLYGCPSA-N 2 1 375.296 2.043 20 0 GEADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923415429 654451690 /nfs/dbraw/zinc/45/16/90/654451690.db2.gz PQUKTQVEQQCTJR-CQSZACIVSA-N 2 1 375.282 2.402 20 0 GEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923415429 654451693 /nfs/dbraw/zinc/45/16/93/654451693.db2.gz PQUKTQVEQQCTJR-CQSZACIVSA-N 2 1 375.282 2.402 20 0 GEADMP C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC000923502225 654457145 /nfs/dbraw/zinc/45/71/45/654457145.db2.gz AKHUWIGTCRQONQ-QWHCGFSZSA-N 2 1 375.332 2.140 20 0 GEADMP C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC000923502225 654457148 /nfs/dbraw/zinc/45/71/48/654457148.db2.gz AKHUWIGTCRQONQ-QWHCGFSZSA-N 2 1 375.332 2.140 20 0 GEADMP COC(=O)c1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1Br ZINC000894375026 654470716 /nfs/dbraw/zinc/47/07/16/654470716.db2.gz IVBDJQRHCXTXCY-UHFFFAOYSA-N 2 1 398.345 2.353 20 0 GEADMP [NH3+][C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)C12CCC2 ZINC000925666534 654547347 /nfs/dbraw/zinc/54/73/47/654547347.db2.gz LXALUACMEDGBGO-STQMWFEESA-N 2 1 385.249 2.089 20 0 GEADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC000153175965 719442108 /nfs/dbraw/zinc/44/21/08/719442108.db2.gz RPISOJQSQUQREL-JKSUJKDBSA-N 2 1 387.553 2.423 20 0 GEADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC000153175965 719442117 /nfs/dbraw/zinc/44/21/17/719442117.db2.gz RPISOJQSQUQREL-JKSUJKDBSA-N 2 1 387.553 2.423 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(C(=O)NC(C)(C)C)cn2)c2c1CC[NH2+]C2 ZINC001164681608 719623245 /nfs/dbraw/zinc/62/32/45/719623245.db2.gz IWGSOALKDLLAMJ-UHFFFAOYSA-N 2 1 384.528 2.282 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(C(=O)NC(C)(C)C)cn2)c2c1CC[NH2+]C2 ZINC001164681608 719623258 /nfs/dbraw/zinc/62/32/58/719623258.db2.gz IWGSOALKDLLAMJ-UHFFFAOYSA-N 2 1 384.528 2.282 20 0 GEADMP c1csc(C[N@H+]2CCOC3(CCN(c4cc5c(nn4)CC[NH2+]C5)CC3)C2)c1 ZINC001164698982 719895406 /nfs/dbraw/zinc/89/54/06/719895406.db2.gz VCQXPBDSLDCLRU-UHFFFAOYSA-N 2 1 385.537 2.055 20 0 GEADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164814336 720136997 /nfs/dbraw/zinc/13/69/97/720136997.db2.gz RUBRXAYRTVUXFO-NFBKMPQASA-N 2 1 399.583 2.018 20 0 GEADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001164813777 720149293 /nfs/dbraw/zinc/14/92/93/720149293.db2.gz FAWPTLLSRLSZCS-UGKGYDQZSA-N 2 1 386.540 2.103 20 0 GEADMP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164721833 720404721 /nfs/dbraw/zinc/40/47/21/720404721.db2.gz BJJVSMGPUWHPPO-VQTJNVASSA-N 2 1 378.524 2.082 20 0 GEADMP CCc1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164733971 720408585 /nfs/dbraw/zinc/40/85/85/720408585.db2.gz RCRYMGNMYZMDRG-VQTJNVASSA-N 2 1 394.523 2.124 20 0 GEADMP CCc1cc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164733971 720408592 /nfs/dbraw/zinc/40/85/92/720408592.db2.gz RCRYMGNMYZMDRG-VQTJNVASSA-N 2 1 394.523 2.124 20 0 GEADMP Cc1cc2[nH]ccc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164916257 721785827 /nfs/dbraw/zinc/78/58/27/721785827.db2.gz PFLWHWOZJZNABC-JOCHJYFZSA-N 2 1 393.491 2.374 20 0 GEADMP Cc1cc2[nH]ccc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164916257 721785830 /nfs/dbraw/zinc/78/58/30/721785830.db2.gz PFLWHWOZJZNABC-JOCHJYFZSA-N 2 1 393.491 2.374 20 0 GEADMP Cc1cc2[nH]ccc2c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)[nH+]1 ZINC001164998029 722234618 /nfs/dbraw/zinc/23/46/18/722234618.db2.gz ZGAMGNUYKNFNSG-UHFFFAOYSA-N 2 1 377.496 2.018 20 0 GEADMP OCC[NH+](Cc1cc(Br)ccc1C[N@H+](CCO)C1CC1)C1CC1 ZINC000192060743 532382777 /nfs/dbraw/zinc/38/27/77/532382777.db2.gz NDQQPUMZUHCWFE-UHFFFAOYSA-N 2 1 383.330 2.363 20 0 GEADMP OCC[NH+](Cc1ccc(Br)cc1C[N@H+](CCO)C1CC1)C1CC1 ZINC000192060743 532382782 /nfs/dbraw/zinc/38/27/82/532382782.db2.gz NDQQPUMZUHCWFE-UHFFFAOYSA-N 2 1 383.330 2.363 20 0 GEADMP OCC[NH+](Cc1ccc(Br)cc1C[N@@H+](CCO)C1CC1)C1CC1 ZINC000192060743 532382789 /nfs/dbraw/zinc/38/27/89/532382789.db2.gz NDQQPUMZUHCWFE-UHFFFAOYSA-N 2 1 383.330 2.363 20 0 GEADMP Cc1cc(Br)c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000516290638 532384865 /nfs/dbraw/zinc/38/48/65/532384865.db2.gz RJEXFZVAYUORIV-ZDUSSCGKSA-N 2 1 386.359 2.463 20 0 GEADMP O[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C[NH+]1CCCCC1 ZINC000516970524 532401176 /nfs/dbraw/zinc/40/11/76/532401176.db2.gz RPWHTTJZKBDBCU-CABCVRRESA-N 2 1 377.312 2.170 20 0 GEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000562381252 532463377 /nfs/dbraw/zinc/46/33/77/532463377.db2.gz AOZAPBHSRSSITN-RYUDHWBXSA-N 2 1 390.347 2.089 20 0 GEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000562381252 532463383 /nfs/dbraw/zinc/46/33/83/532463383.db2.gz AOZAPBHSRSSITN-RYUDHWBXSA-N 2 1 390.347 2.089 20 0 GEADMP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000295817156 532479021 /nfs/dbraw/zinc/47/90/21/532479021.db2.gz XKVVXYADWKOUPJ-OLZOCXBDSA-N 2 1 386.334 2.250 20 0 GEADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000519816774 532480899 /nfs/dbraw/zinc/48/08/99/532480899.db2.gz FOEARLGVIYPFTC-OAHLLOKOSA-N 2 1 384.318 2.131 20 0 GEADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000519816774 532480907 /nfs/dbraw/zinc/48/09/07/532480907.db2.gz FOEARLGVIYPFTC-OAHLLOKOSA-N 2 1 384.318 2.131 20 0 GEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cccc(I)c3)C[C@H]21 ZINC000228477477 532489888 /nfs/dbraw/zinc/48/98/88/532489888.db2.gz AFDFWDGAZWQOHT-KCPJHIHWSA-N 2 1 399.276 2.289 20 0 GEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cccc(I)c3)C[C@H]21 ZINC000228477477 532489899 /nfs/dbraw/zinc/48/98/99/532489899.db2.gz AFDFWDGAZWQOHT-KCPJHIHWSA-N 2 1 399.276 2.289 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430641865 532502297 /nfs/dbraw/zinc/50/22/97/532502297.db2.gz JKNQZQQOCYBUOR-NWDGAFQWSA-N 2 1 387.311 2.107 20 0 GEADMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1cc(Cl)ccc1Cl ZINC000564974261 532541392 /nfs/dbraw/zinc/54/13/92/532541392.db2.gz FJWBLGVUJIMZPW-OAHLLOKOSA-N 2 1 377.312 2.170 20 0 GEADMP C[N@H+](C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000565273750 532555544 /nfs/dbraw/zinc/55/55/44/532555544.db2.gz JEIPPTRLMRQHIO-KRWDZBQOSA-N 2 1 383.330 2.500 20 0 GEADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000565273750 532555551 /nfs/dbraw/zinc/55/55/51/532555551.db2.gz JEIPPTRLMRQHIO-KRWDZBQOSA-N 2 1 383.330 2.500 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631869065 532565752 /nfs/dbraw/zinc/56/57/52/532565752.db2.gz FNPWDYNMDZJKSQ-ZDUSSCGKSA-N 2 1 379.473 2.254 20 0 GEADMP CC(C)(CCC[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595949509 532579019 /nfs/dbraw/zinc/57/90/19/532579019.db2.gz FSEHQQKDEPHDKV-UHFFFAOYSA-N 2 1 393.294 2.203 20 0 GEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(I)cc3)C[C@H]21 ZINC000584529913 532769113 /nfs/dbraw/zinc/76/91/13/532769113.db2.gz FFFIQNJNFYOYMI-KCPJHIHWSA-N 2 1 399.276 2.289 20 0 GEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(I)cc3)C[C@H]21 ZINC000584529913 532769115 /nfs/dbraw/zinc/76/91/15/532769115.db2.gz FFFIQNJNFYOYMI-KCPJHIHWSA-N 2 1 399.276 2.289 20 0 GEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414371236 532822706 /nfs/dbraw/zinc/82/27/06/532822706.db2.gz WJMNRXVTCMFGFF-QWHCGFSZSA-N 2 1 390.347 2.059 20 0 GEADMP Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)C2=O)n1 ZINC000359998332 212131411 /nfs/dbraw/zinc/13/14/11/212131411.db2.gz LQGKXGZKUKRGRJ-WCIQWLHISA-N 2 1 379.508 2.026 20 0 GEADMP Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)C2=O)n1 ZINC000359998332 212131413 /nfs/dbraw/zinc/13/14/13/212131413.db2.gz LQGKXGZKUKRGRJ-WCIQWLHISA-N 2 1 379.508 2.026 20 0 GEADMP C[C@@H]1CC[S@](=O)CC[NH+]1CCCCCC[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000369351508 532939009 /nfs/dbraw/zinc/93/90/09/532939009.db2.gz DIUOMGWYSHWPSB-ZJYDQZTPSA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1CC[S@](=O)CC[N@H+]1CCCCCC[NH+]1CC[S@](=O)CC[C@@H]1C ZINC000369351508 532939011 /nfs/dbraw/zinc/93/90/11/532939011.db2.gz DIUOMGWYSHWPSB-ZJYDQZTPSA-N 2 1 376.632 2.233 20 0 GEADMP C[C@@H]1CC[S@](=O)CC[N@@H+]1CCCCCC[NH+]1CC[S@](=O)CC[C@@H]1C ZINC000369351508 532939012 /nfs/dbraw/zinc/93/90/12/532939012.db2.gz DIUOMGWYSHWPSB-ZJYDQZTPSA-N 2 1 376.632 2.233 20 0 GEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736564750 598990894 /nfs/dbraw/zinc/99/08/94/598990894.db2.gz DKKQUCKOKNJKSB-QWHCGFSZSA-N 2 1 377.518 2.061 20 0 GEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736564750 598990896 /nfs/dbraw/zinc/99/08/96/598990896.db2.gz DKKQUCKOKNJKSB-QWHCGFSZSA-N 2 1 377.518 2.061 20 0 GEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736564750 598990898 /nfs/dbraw/zinc/99/08/98/598990898.db2.gz DKKQUCKOKNJKSB-QWHCGFSZSA-N 2 1 377.518 2.061 20 0 GEADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)nc(C)[nH+]1 ZINC000737271126 598347521 /nfs/dbraw/zinc/34/75/21/598347521.db2.gz JCSFQKXEBATPGP-INIZCTEOSA-N 2 1 382.447 2.171 20 0 GEADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000735856931 598762648 /nfs/dbraw/zinc/76/26/48/598762648.db2.gz MBAKOJYWZDQFIS-IBGZPJMESA-N 2 1 397.527 2.024 20 0 GEADMP c1ccc(C[NH+]2CCC([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823780195 606644110 /nfs/dbraw/zinc/64/41/10/606644110.db2.gz PNJJWCHRGIXVRI-UHFFFAOYSA-N 2 1 378.480 2.500 20 0 GEADMP Cc1nn(-c2ccccc2)c(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826332088 608314934 /nfs/dbraw/zinc/31/49/34/608314934.db2.gz JQRMHXJGKBFKOB-PBHICJAKSA-N 2 1 380.500 2.275 20 0 GEADMP c1cc2c(cc1-c1nn[nH]n1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000826517664 608511954 /nfs/dbraw/zinc/51/19/54/608511954.db2.gz KWIQYGHMJKUIHR-UYAOXDASSA-N 2 1 382.512 2.477 20 0 GEADMP c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c2)c1 ZINC000826515850 608858937 /nfs/dbraw/zinc/85/89/37/608858937.db2.gz NJNRSZSSHVSQLX-ROUUACIJSA-N 2 1 376.464 2.097 20 0 GEADMP Cn1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361482 609337928 /nfs/dbraw/zinc/33/79/28/609337928.db2.gz YOHYXMZQYAHWCW-UHFFFAOYSA-N 2 1 392.511 2.231 20 0 GEADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000518514647 650605583 /nfs/dbraw/zinc/60/55/83/650605583.db2.gz FHPNYPSFGZPAPQ-PTOFAABTSA-N 2 1 377.798 2.243 20 0 GEADMP [NH3+]CC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000070170586 643049750 /nfs/dbraw/zinc/04/97/50/643049750.db2.gz KOTADFVPIBENAA-ZDUSSCGKSA-N 2 1 375.332 2.284 20 0 GEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000070170586 643049753 /nfs/dbraw/zinc/04/97/53/643049753.db2.gz KOTADFVPIBENAA-ZDUSSCGKSA-N 2 1 375.332 2.284 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)Nc1ccc(Br)cc1 ZINC000104177201 643178583 /nfs/dbraw/zinc/17/85/83/643178583.db2.gz LKOGPQXIMBVIBJ-OAHLLOKOSA-N 2 1 396.333 2.166 20 0 GEADMP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CCCCS2(=O)=O)CC1 ZINC000542311281 650889815 /nfs/dbraw/zinc/88/98/15/650889815.db2.gz QLKSPNCJQGVQES-HNNXBMFYSA-N 2 1 385.961 2.149 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccnc(Br)c1 ZINC000268264997 645956965 /nfs/dbraw/zinc/95/69/65/645956965.db2.gz TYSQKPWBEHRHFQ-HNNXBMFYSA-N 2 1 383.334 2.332 20 0 GEADMP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H](C)[NH3+] ZINC000417885403 648264511 /nfs/dbraw/zinc/26/45/11/648264511.db2.gz IWQNYZZRBVRMJH-QWHCGFSZSA-N 2 1 383.334 2.448 20 0 GEADMP [NH3+]CCCCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417897698 648265640 /nfs/dbraw/zinc/26/56/40/648265640.db2.gz YBTBKYRXBNQUKA-UHFFFAOYSA-N 2 1 383.334 2.452 20 0 GEADMP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC000420351025 648413506 /nfs/dbraw/zinc/41/35/06/648413506.db2.gz VPFXUYGDADSABI-UKRRQHHQSA-N 2 1 385.339 2.150 20 0 GEADMP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC000420351025 648413509 /nfs/dbraw/zinc/41/35/09/648413509.db2.gz VPFXUYGDADSABI-UKRRQHHQSA-N 2 1 385.339 2.150 20 0 GEADMP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000420350445 648413656 /nfs/dbraw/zinc/41/36/56/648413656.db2.gz SVDSKODFJCARPM-UKRRQHHQSA-N 2 1 385.339 2.150 20 0 GEADMP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000420350445 648413659 /nfs/dbraw/zinc/41/36/59/648413659.db2.gz SVDSKODFJCARPM-UKRRQHHQSA-N 2 1 385.339 2.150 20 0 GEADMP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)s1 ZINC000423386926 648590158 /nfs/dbraw/zinc/59/01/58/648590158.db2.gz LSZWRXHGVAYMIF-BDAKNGLRSA-N 2 1 387.269 2.392 20 0 GEADMP C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442799085 648848903 /nfs/dbraw/zinc/84/89/03/648848903.db2.gz YRTHRRVHMVIZOF-GRYCIOLGSA-N 2 1 387.265 2.287 20 0 GEADMP C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442799085 648848906 /nfs/dbraw/zinc/84/89/06/648848906.db2.gz YRTHRRVHMVIZOF-GRYCIOLGSA-N 2 1 387.265 2.287 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]nc(C2CC2)c1Br ZINC000617504775 651954731 /nfs/dbraw/zinc/95/47/31/651954731.db2.gz JYIGEJKGTNTKCG-NSHDSACASA-N 2 1 386.338 2.051 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]nc(C2CC2)c1Br ZINC000617504775 651954733 /nfs/dbraw/zinc/95/47/33/651954733.db2.gz JYIGEJKGTNTKCG-NSHDSACASA-N 2 1 386.338 2.051 20 0 GEADMP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000573742167 651977181 /nfs/dbraw/zinc/97/71/81/651977181.db2.gz WIRZFYMSDYHFQJ-SJLPKXTDSA-N 2 1 385.346 2.253 20 0 GEADMP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000573742167 651977185 /nfs/dbraw/zinc/97/71/85/651977185.db2.gz WIRZFYMSDYHFQJ-SJLPKXTDSA-N 2 1 385.346 2.253 20 0 GEADMP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000573742167 651977187 /nfs/dbraw/zinc/97/71/87/651977187.db2.gz WIRZFYMSDYHFQJ-SJLPKXTDSA-N 2 1 385.346 2.253 20 0 GEADMP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000573742167 651977189 /nfs/dbraw/zinc/97/71/89/651977189.db2.gz WIRZFYMSDYHFQJ-SJLPKXTDSA-N 2 1 385.346 2.253 20 0 GEADMP O=C(CCOC1C[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000574315984 652015639 /nfs/dbraw/zinc/01/56/39/652015639.db2.gz BKRTZZAORUSCNR-UHFFFAOYSA-N 2 1 386.323 2.453 20 0 GEADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H]3CCN(S(C)(=O)=O)C3)C2)s1 ZINC000574523396 652027602 /nfs/dbraw/zinc/02/76/02/652027602.db2.gz OQQIAHXQMGLKRJ-IRXDYDNUSA-N 2 1 385.599 2.092 20 0 GEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CCN(S(C)(=O)=O)C3)C2)s1 ZINC000574523396 652027613 /nfs/dbraw/zinc/02/76/13/652027613.db2.gz OQQIAHXQMGLKRJ-IRXDYDNUSA-N 2 1 385.599 2.092 20 0 GEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CCN(S(C)(=O)=O)C3)C2)s1 ZINC000574523396 652027622 /nfs/dbraw/zinc/02/76/22/652027622.db2.gz OQQIAHXQMGLKRJ-IRXDYDNUSA-N 2 1 385.599 2.092 20 0 GEADMP Cn1cc(Br)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000620531695 652107190 /nfs/dbraw/zinc/10/71/90/652107190.db2.gz ODPATOCLHVWQEW-UHFFFAOYSA-N 2 1 378.274 2.187 20 0 GEADMP CS[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](SC)[C@@H](N(C)C)C2)C[C@H]1N(C)C ZINC000582318364 652445265 /nfs/dbraw/zinc/44/52/65/652445265.db2.gz PGHJNKQTPWBISV-QGFMHUBQSA-N 2 1 388.691 2.112 20 0 GEADMP CS[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](SC)[C@@H](N(C)C)C2)C[C@H]1N(C)C ZINC000582318364 652445268 /nfs/dbraw/zinc/44/52/68/652445268.db2.gz PGHJNKQTPWBISV-QGFMHUBQSA-N 2 1 388.691 2.112 20 0 GEADMP CS[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](SC)[C@@H](N(C)C)C2)C[C@H]1N(C)C ZINC000582318364 652445270 /nfs/dbraw/zinc/44/52/70/652445270.db2.gz PGHJNKQTPWBISV-QGFMHUBQSA-N 2 1 388.691 2.112 20 0 GEADMP C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629581886 652493956 /nfs/dbraw/zinc/49/39/56/652493956.db2.gz JCDMSTVDYRDCIL-GOEBONIOSA-N 2 1 380.330 2.449 20 0 GEADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1cccc(Br)c1 ZINC000663364556 652495571 /nfs/dbraw/zinc/49/55/71/652495571.db2.gz RTCAOAAIYPTDDH-SJORKVTESA-N 2 1 399.329 2.032 20 0 GEADMP C[NH+]1CCC(NC(=S)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000761502544 652648920 /nfs/dbraw/zinc/64/89/20/652648920.db2.gz KEZQDFQKUANMTP-SFHVURJKSA-N 2 1 378.611 2.162 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000669927868 652727887 /nfs/dbraw/zinc/72/78/87/652727887.db2.gz CHYSVLJRSSRZHS-RYUDHWBXSA-N 2 1 375.357 2.213 20 0 GEADMP [NH3+]C1CC[NH+](CCc2cn(CCOc3ccccc3Br)nn2)CC1 ZINC000641057541 653153421 /nfs/dbraw/zinc/15/34/21/653153421.db2.gz CWBGEHJIKNPEHN-UHFFFAOYSA-N 2 1 394.317 2.085 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2nc3ccc(Br)cc3s2)CC1 ZINC000774991030 653278723 /nfs/dbraw/zinc/27/87/23/653278723.db2.gz MIUGXYKHVVWLOG-UHFFFAOYSA-N 2 1 397.342 2.313 20 0 GEADMP C[Si](C)(CC[NH+]1CC[C@](O)(C(F)F)C1)CC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000859323535 653441996 /nfs/dbraw/zinc/44/19/96/653441996.db2.gz GJNCGBJPKHKHDK-HZPDHXFCSA-N 2 1 386.506 2.099 20 0 GEADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876894438 653452448 /nfs/dbraw/zinc/45/24/48/653452448.db2.gz VPTALVADXBSBGE-GVARAGBVSA-N 2 1 375.822 2.428 20 0 GEADMP COc1ccc(Br)cc1C1([NH2+]CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878761344 653646738 /nfs/dbraw/zinc/64/67/38/653646738.db2.gz UTCONWZCYCFNFX-UHFFFAOYSA-N 2 1 396.329 2.247 20 0 GEADMP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1nc(Br)cs1 ZINC000817972701 653723083 /nfs/dbraw/zinc/72/30/83/653723083.db2.gz NUTFQAZWTWPSTK-RKDXNWHRSA-N 2 1 387.269 2.392 20 0 GEADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000881415479 653730135 /nfs/dbraw/zinc/73/01/35/653730135.db2.gz UQYDIUXQTCGQHI-QGZVFWFLSA-N 2 1 384.311 2.284 20 0 GEADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000866706154 653813148 /nfs/dbraw/zinc/81/31/48/653813148.db2.gz AAOBKOSGLNHELC-XPKDYRNWSA-N 2 1 386.279 2.239 20 0 GEADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000866706154 653813151 /nfs/dbraw/zinc/81/31/51/653813151.db2.gz AAOBKOSGLNHELC-XPKDYRNWSA-N 2 1 386.279 2.239 20 0 GEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(I)s2)CC1 ZINC000882985364 653820981 /nfs/dbraw/zinc/82/09/81/653820981.db2.gz UGWRBWALNPNVRX-UHFFFAOYSA-N 2 1 393.338 2.470 20 0 GEADMP O=c1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)nc2ccc(Br)cn12 ZINC000886865476 654006002 /nfs/dbraw/zinc/00/60/02/654006002.db2.gz LJQYRYKMXWKZOS-GOSISDBHSA-N 2 1 391.313 2.423 20 0 GEADMP O=c1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)nc2ccc(Br)cn12 ZINC000886865476 654006007 /nfs/dbraw/zinc/00/60/07/654006007.db2.gz LJQYRYKMXWKZOS-GOSISDBHSA-N 2 1 391.313 2.423 20 0 GEADMP C[NH+](C)Cc1ccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc1Br ZINC000831993207 654223098 /nfs/dbraw/zinc/22/30/98/654223098.db2.gz POZYSSZMHXHHBJ-UHFFFAOYSA-N 2 1 378.274 2.132 20 0 GEADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000903426035 654238995 /nfs/dbraw/zinc/23/89/95/654238995.db2.gz BKMSMBFGKNALHT-QWHCGFSZSA-N 2 1 392.352 2.427 20 0 GEADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cccc(Br)c1OC)C2 ZINC000903976812 654293814 /nfs/dbraw/zinc/29/38/14/654293814.db2.gz BQGNQIRAAMSATO-AHIWAGSCSA-N 2 1 383.286 2.170 20 0 GEADMP Cc1cc(C[NH2+]C2CC[NH+](CCO)CC2)c(C)cc1I ZINC000921700375 654307487 /nfs/dbraw/zinc/30/74/87/654307487.db2.gz PFJVCHOHGMHECB-UHFFFAOYSA-N 2 1 388.293 2.454 20 0 GEADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3C[C@]3(C)Br)CC2)CC1 ZINC000891949657 654320141 /nfs/dbraw/zinc/32/01/41/654320141.db2.gz VSXYQFBLPBLUQS-AEFFLSMTSA-N 2 1 386.378 2.426 20 0 GEADMP Cc1nc(Br)sc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346470 654414577 /nfs/dbraw/zinc/41/45/77/654414577.db2.gz DELQBYCPVNCDLP-JTQLQIEISA-N 2 1 377.352 2.216 20 0 GEADMP Cc1nc(Br)sc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346470 654414581 /nfs/dbraw/zinc/41/45/81/654414581.db2.gz DELQBYCPVNCDLP-JTQLQIEISA-N 2 1 377.352 2.216 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnc(Cl)c(Br)c1 ZINC000855347169 654414749 /nfs/dbraw/zinc/41/47/49/654414749.db2.gz WZEJZPNQPDPBBH-NSHDSACASA-N 2 1 391.741 2.499 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnc(Cl)c(Br)c1 ZINC000855347169 654414752 /nfs/dbraw/zinc/41/47/52/654414752.db2.gz WZEJZPNQPDPBBH-NSHDSACASA-N 2 1 391.741 2.499 20 0 GEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000923410342 654451197 /nfs/dbraw/zinc/45/11/97/654451197.db2.gz XVCDJYDTNZPPND-BHYGNILZSA-N 2 1 387.293 2.259 20 0 GEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000923410342 654451201 /nfs/dbraw/zinc/45/12/01/654451201.db2.gz XVCDJYDTNZPPND-BHYGNILZSA-N 2 1 387.293 2.259 20 0 GEADMP C[C@@H]1C[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@H]1CC[NH3+] ZINC000923428638 654452189 /nfs/dbraw/zinc/45/21/89/654452189.db2.gz KBEIMIVIIMLKMV-JMSVASOKSA-N 2 1 375.282 2.245 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465197 654454819 /nfs/dbraw/zinc/45/48/19/654454819.db2.gz WVZHGTGTLKJZSO-NSHDSACASA-N 2 1 378.826 2.181 20 0 GEADMP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)CC[C@H]1C[NH3+] ZINC000923503172 654457339 /nfs/dbraw/zinc/45/73/39/654457339.db2.gz HMAYSEUMJZSTGN-RYUDHWBXSA-N 2 1 387.265 2.146 20 0 GEADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)CC3([NH+](C)C)CC3)C2)s1 ZINC000907347952 654534579 /nfs/dbraw/zinc/53/45/79/654534579.db2.gz YGGJELKSAODJKO-MRXNPFEDSA-N 2 1 385.599 2.234 20 0 GEADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)S(=O)(=O)CC3([NH+](C)C)CC3)C2)s1 ZINC000907347952 654534580 /nfs/dbraw/zinc/53/45/80/654534580.db2.gz YGGJELKSAODJKO-MRXNPFEDSA-N 2 1 385.599 2.234 20 0 GEADMP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925566073 654546082 /nfs/dbraw/zinc/54/60/82/654546082.db2.gz CRLYIODQZRAINU-MRXNPFEDSA-N 2 1 396.329 2.452 20 0 GEADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000925775701 654549014 /nfs/dbraw/zinc/54/90/14/654549014.db2.gz RLSIEKVTLZGJGI-VUCTXSBTSA-N 2 1 379.302 2.477 20 0 GEADMP COC(=O)/C=C/c1cc(C)cnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684614 719633830 /nfs/dbraw/zinc/63/38/30/719633830.db2.gz VJAIRLBVQFQXCR-VOTSOKGWSA-N 2 1 383.496 2.248 20 0 GEADMP COC(=O)/C=C/c1cc(C)cnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684614 719633833 /nfs/dbraw/zinc/63/38/33/719633833.db2.gz VJAIRLBVQFQXCR-VOTSOKGWSA-N 2 1 383.496 2.248 20 0 GEADMP C=Cc1nc(Cl)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1OC ZINC001164679431 719636859 /nfs/dbraw/zinc/63/68/59/719636859.db2.gz AKFKEKAINWXMAE-UHFFFAOYSA-N 2 1 376.892 2.453 20 0 GEADMP C=Cc1nc(Cl)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1OC ZINC001164679431 719636870 /nfs/dbraw/zinc/63/68/70/719636870.db2.gz AKFKEKAINWXMAE-UHFFFAOYSA-N 2 1 376.892 2.453 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(N3CCC(C)CC3)nn2)c2c1CC[NH2+]C2 ZINC001164680531 719640248 /nfs/dbraw/zinc/64/02/48/719640248.db2.gz UTOCMNJUGYXOBP-UHFFFAOYSA-N 2 1 383.544 2.385 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(N3CCC(C)CC3)nn2)c2c1CC[NH2+]C2 ZINC001164680531 719640269 /nfs/dbraw/zinc/64/02/69/719640269.db2.gz UTOCMNJUGYXOBP-UHFFFAOYSA-N 2 1 383.544 2.385 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2nc(C(N)=O)cc3ccccc32)c2c1CC[NH2+]C2 ZINC001164679442 719643131 /nfs/dbraw/zinc/64/31/31/719643131.db2.gz AOILUXGKCWDUOD-UHFFFAOYSA-N 2 1 378.480 2.005 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(C(N)=O)cc3ccccc32)c2c1CC[NH2+]C2 ZINC001164679442 719643135 /nfs/dbraw/zinc/64/31/35/719643135.db2.gz AOILUXGKCWDUOD-UHFFFAOYSA-N 2 1 378.480 2.005 20 0 GEADMP CC(C)[N@H+](C)Cc1nn(-c2cc(OC3CC[NH+](C)CC3)ccn2)c2c1CC[NH2+]C2 ZINC001164679838 719650417 /nfs/dbraw/zinc/65/04/17/719650417.db2.gz OTPZYXKELUETNA-UHFFFAOYSA-N 3 1 398.555 2.226 20 0 GEADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(OC3CC[NH+](C)CC3)ccn2)c2c1CC[NH2+]C2 ZINC001164679838 719650422 /nfs/dbraw/zinc/65/04/22/719650422.db2.gz OTPZYXKELUETNA-UHFFFAOYSA-N 3 1 398.555 2.226 20 0 GEADMP Cc1[nH]c2nc[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164833017 720321264 /nfs/dbraw/zinc/32/12/64/720321264.db2.gz VSKBWVOVYIHINY-MSOLQXFVSA-N 2 1 396.539 2.486 20 0 GEADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164840528 720689434 /nfs/dbraw/zinc/68/94/34/720689434.db2.gz FWYDBAXWSSKJFX-IBGZPJMESA-N 2 1 379.508 2.340 20 0 GEADMP c1ncn(C[C@H]2C[C@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745471 720808803 /nfs/dbraw/zinc/80/88/03/720808803.db2.gz KOZRWLRGLBLHPX-QXAKKESOSA-N 2 1 394.527 2.022 20 0 GEADMP c1ncn(C[C@H]2C[C@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745471 720808804 /nfs/dbraw/zinc/80/88/04/720808804.db2.gz KOZRWLRGLBLHPX-QXAKKESOSA-N 2 1 394.527 2.022 20 0 GEADMP CN(C)c1cccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164752587 720814147 /nfs/dbraw/zinc/81/41/47/720814147.db2.gz ZHCJFADWIIXHPP-CEXWTWQISA-N 2 1 381.528 2.119 20 0 GEADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165053200 722010982 /nfs/dbraw/zinc/01/09/82/722010982.db2.gz ATIHVRVNQNJVRI-UHFFFAOYSA-N 2 1 386.931 2.357 20 0 GEADMP COc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1Br ZINC000178647745 532207848 /nfs/dbraw/zinc/20/78/48/532207848.db2.gz XGZHYGIPWDCETD-UHFFFAOYSA-N 2 1 398.345 2.348 20 0 GEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000182964616 532319814 /nfs/dbraw/zinc/31/98/14/532319814.db2.gz HRDRMGZCFIPSCJ-INIZCTEOSA-N 2 1 390.355 2.302 20 0 GEADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000187229415 532343575 /nfs/dbraw/zinc/34/35/75/532343575.db2.gz ZPKRJFGZLLXDLK-MRXNPFEDSA-N 2 1 388.961 2.460 20 0 GEADMP Cc1cc(N2CCC[C@@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)ccc1Br ZINC000680961464 532421190 /nfs/dbraw/zinc/42/11/90/532421190.db2.gz IHKSOAWAITZISU-JKIFEVAISA-N 2 1 378.314 2.404 20 0 GEADMP Cc1cc(N2CCC[C@@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)ccc1Br ZINC000680961464 532421193 /nfs/dbraw/zinc/42/11/93/532421193.db2.gz IHKSOAWAITZISU-JKIFEVAISA-N 2 1 378.314 2.404 20 0 GEADMP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470004740 532519154 /nfs/dbraw/zinc/51/91/54/532519154.db2.gz URDVZCYXTPKCPJ-HNNXBMFYSA-N 2 1 396.329 2.102 20 0 GEADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470004740 532519160 /nfs/dbraw/zinc/51/91/60/532519160.db2.gz URDVZCYXTPKCPJ-HNNXBMFYSA-N 2 1 396.329 2.102 20 0 GEADMP O=S(=O)(CCC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000631846228 532563856 /nfs/dbraw/zinc/56/38/56/532563856.db2.gz AYWJRZQCNGAJMG-QGZVFWFLSA-N 2 1 385.599 2.365 20 0 GEADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261735295 532577829 /nfs/dbraw/zinc/57/78/29/532577829.db2.gz LHRPAIIHTZSSPW-AEFFLSMTSA-N 2 1 398.345 2.096 20 0 GEADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261743149 532578547 /nfs/dbraw/zinc/57/85/47/532578547.db2.gz TULKTVOZHKRCRD-GFCCVEGCSA-N 2 1 387.311 2.109 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cn1 ZINC000263855359 532645761 /nfs/dbraw/zinc/64/57/61/532645761.db2.gz AOSRHLVYGYEDOQ-OAHLLOKOSA-N 2 1 383.334 2.332 20 0 GEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccncc2Br)CC1 ZINC000532162986 532647123 /nfs/dbraw/zinc/64/71/23/532647123.db2.gz KPSZLLMXNJGIAP-UHFFFAOYSA-N 2 1 376.258 2.243 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1(C)C ZINC000567700279 532658966 /nfs/dbraw/zinc/65/89/66/532658966.db2.gz IRHVGMVUUOPNKK-HNNXBMFYSA-N 2 1 390.355 2.349 20 0 GEADMP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000568513117 532679711 /nfs/dbraw/zinc/67/97/11/532679711.db2.gz CGSLHRMALCHHSW-KGLIPLIRSA-N 2 1 396.329 2.463 20 0 GEADMP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000568513117 532679715 /nfs/dbraw/zinc/67/97/15/532679715.db2.gz CGSLHRMALCHHSW-KGLIPLIRSA-N 2 1 396.329 2.463 20 0 GEADMP C[NH+](C)CCCCC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000569194599 532691061 /nfs/dbraw/zinc/69/10/61/532691061.db2.gz DIWPOAVPPVWQRB-UHFFFAOYSA-N 2 1 398.349 2.266 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc(Br)c1 ZINC000299726842 532737002 /nfs/dbraw/zinc/73/70/02/532737002.db2.gz RWQDVNUQBJMWTH-MRXNPFEDSA-N 2 1 383.334 2.332 20 0 GEADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)cc(I)c1OC ZINC000414871611 532835092 /nfs/dbraw/zinc/83/50/92/532835092.db2.gz DNNQGBMKXMOKNH-UHFFFAOYSA-N 2 1 376.238 2.279 20 0 GEADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)cc(I)c1OC ZINC000414791874 532835496 /nfs/dbraw/zinc/83/54/96/532835496.db2.gz RDZFXVYWVJMEAX-UHFFFAOYSA-N 2 1 376.238 2.150 20 0 GEADMP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC(Nc3cccc(C)[nH+]3)CC2)CC1 ZINC000359874258 212119883 /nfs/dbraw/zinc/11/98/83/212119883.db2.gz MSCYGWOLKOUIND-MRXNPFEDSA-N 2 1 388.512 2.066 20 0 GEADMP O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000333876255 532874499 /nfs/dbraw/zinc/87/44/99/532874499.db2.gz SYKOVYOAZPRNIB-ZDUSSCGKSA-N 2 1 377.963 2.098 20 0 GEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1C ZINC000736564749 598991276 /nfs/dbraw/zinc/99/12/76/598991276.db2.gz DKKQUCKOKNJKSB-OLZOCXBDSA-N 2 1 377.518 2.061 20 0 GEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1C ZINC000736564749 598991278 /nfs/dbraw/zinc/99/12/78/598991278.db2.gz DKKQUCKOKNJKSB-OLZOCXBDSA-N 2 1 377.518 2.061 20 0 GEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1C ZINC000736564749 598991279 /nfs/dbraw/zinc/99/12/79/598991279.db2.gz DKKQUCKOKNJKSB-OLZOCXBDSA-N 2 1 377.518 2.061 20 0 GEADMP C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000736856596 599353947 /nfs/dbraw/zinc/35/39/47/599353947.db2.gz KVHMPELBUQRFSN-ZDUSSCGKSA-N 2 1 391.907 2.122 20 0 GEADMP C[NH+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000736856596 599353950 /nfs/dbraw/zinc/35/39/50/599353950.db2.gz KVHMPELBUQRFSN-ZDUSSCGKSA-N 2 1 391.907 2.122 20 0 GEADMP C[NH+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000736856596 599353953 /nfs/dbraw/zinc/35/39/53/599353953.db2.gz KVHMPELBUQRFSN-ZDUSSCGKSA-N 2 1 391.907 2.122 20 0 GEADMP C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CC[C@H]1CCCC[NH+]1C ZINC000821598002 599582402 /nfs/dbraw/zinc/58/24/02/599582402.db2.gz NQLPYPXXLQDTFN-CYBMUJFWSA-N 2 1 377.518 2.063 20 0 GEADMP C[NH+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CC[C@H]1CCCC[N@@H+]1C ZINC000821598002 599582404 /nfs/dbraw/zinc/58/24/04/599582404.db2.gz NQLPYPXXLQDTFN-CYBMUJFWSA-N 2 1 377.518 2.063 20 0 GEADMP C[NH+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CC[C@H]1CCCC[N@H+]1C ZINC000821598002 599582405 /nfs/dbraw/zinc/58/24/05/599582405.db2.gz NQLPYPXXLQDTFN-CYBMUJFWSA-N 2 1 377.518 2.063 20 0 GEADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703472 606899161 /nfs/dbraw/zinc/89/91/61/606899161.db2.gz FZPCJFOEUJJNKE-FUHIMQAGSA-N 2 1 384.528 2.487 20 0 GEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703472 606899162 /nfs/dbraw/zinc/89/91/62/606899162.db2.gz FZPCJFOEUJJNKE-FUHIMQAGSA-N 2 1 384.528 2.487 20 0 GEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703472 606899163 /nfs/dbraw/zinc/89/91/63/606899163.db2.gz FZPCJFOEUJJNKE-FUHIMQAGSA-N 2 1 384.528 2.487 20 0 GEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703472 606899164 /nfs/dbraw/zinc/89/91/64/606899164.db2.gz FZPCJFOEUJJNKE-FUHIMQAGSA-N 2 1 384.528 2.487 20 0 GEADMP C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821596647 606905793 /nfs/dbraw/zinc/90/57/93/606905793.db2.gz QRYHUAIDCWICLE-NQIIRXRSSA-N 2 1 392.507 2.354 20 0 GEADMP C[N@@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821596647 606905795 /nfs/dbraw/zinc/90/57/95/606905795.db2.gz QRYHUAIDCWICLE-NQIIRXRSSA-N 2 1 392.507 2.354 20 0 GEADMP C[NH+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821596647 606905797 /nfs/dbraw/zinc/90/57/97/606905797.db2.gz QRYHUAIDCWICLE-NQIIRXRSSA-N 2 1 392.507 2.354 20 0 GEADMP C[NH+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821596647 606905800 /nfs/dbraw/zinc/90/58/00/606905800.db2.gz QRYHUAIDCWICLE-NQIIRXRSSA-N 2 1 392.507 2.354 20 0 GEADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000826508747 609381884 /nfs/dbraw/zinc/38/18/84/609381884.db2.gz AOUPHRKNCCTRCX-KRWDZBQOSA-N 2 1 384.509 2.175 20 0 GEADMP CN(CCC[NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000520771043 650616541 /nfs/dbraw/zinc/61/65/41/650616541.db2.gz LBMNIISQXVMQEQ-UHFFFAOYSA-N 2 1 383.334 2.404 20 0 GEADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CSc1n[nH]c(=S)s1 ZINC000176175104 644399423 /nfs/dbraw/zinc/39/94/23/644399423.db2.gz XQCAJJZFXPDQMD-GFCCVEGCSA-N 2 1 389.616 2.167 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CSc1n[nH]c(=S)s1 ZINC000176175104 644399427 /nfs/dbraw/zinc/39/94/27/644399427.db2.gz XQCAJJZFXPDQMD-GFCCVEGCSA-N 2 1 389.616 2.167 20 0 GEADMP CCCOc1c(Br)cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000545859669 650981947 /nfs/dbraw/zinc/98/19/47/650981947.db2.gz ZBKDSQUUANUZME-QGZVFWFLSA-N 2 1 387.318 2.403 20 0 GEADMP CCCOc1c(Br)cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000545859669 650981951 /nfs/dbraw/zinc/98/19/51/650981951.db2.gz ZBKDSQUUANUZME-QGZVFWFLSA-N 2 1 387.318 2.403 20 0 GEADMP Brc1cccc(-c2c[nH]c(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000262123666 645618450 /nfs/dbraw/zinc/61/84/50/645618450.db2.gz MPTCPTYXVDTEKL-INIZCTEOSA-N 2 1 390.329 2.319 20 0 GEADMP Brc1cccc(-c2c[nH]c(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000262123666 645618456 /nfs/dbraw/zinc/61/84/56/645618456.db2.gz MPTCPTYXVDTEKL-INIZCTEOSA-N 2 1 390.329 2.319 20 0 GEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280878589 646728276 /nfs/dbraw/zinc/72/82/76/646728276.db2.gz CLJLXIJKDIGIBO-LLVKDONJSA-N 2 1 388.331 2.009 20 0 GEADMP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000323865053 647299081 /nfs/dbraw/zinc/29/90/81/647299081.db2.gz KGQVMKSQDGEZNT-GASCZTMLSA-N 2 1 380.330 2.339 20 0 GEADMP O=c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nc2ccc(Br)cn12 ZINC000324221115 647300381 /nfs/dbraw/zinc/30/03/81/647300381.db2.gz RTBJYLORPFWJMP-CZUORRHYSA-N 2 1 391.313 2.421 20 0 GEADMP O=c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nc2ccc(Br)cn12 ZINC000324221115 647300386 /nfs/dbraw/zinc/30/03/86/647300386.db2.gz RTBJYLORPFWJMP-CZUORRHYSA-N 2 1 391.313 2.421 20 0 GEADMP [NH3+][C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000417880905 648264009 /nfs/dbraw/zinc/26/40/09/648264009.db2.gz DGMYCLQFIQLNNK-QGZVFWFLSA-N 2 1 395.345 2.450 20 0 GEADMP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC000420351024 648413636 /nfs/dbraw/zinc/41/36/36/648413636.db2.gz VPFXUYGDADSABI-HIFRSBDPSA-N 2 1 385.339 2.150 20 0 GEADMP C[C@@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC000420351024 648413641 /nfs/dbraw/zinc/41/36/41/648413641.db2.gz VPFXUYGDADSABI-HIFRSBDPSA-N 2 1 385.339 2.150 20 0 GEADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCOc3cccc(Br)c3)C2)nn1 ZINC000420384058 648415058 /nfs/dbraw/zinc/41/50/58/648415058.db2.gz RDXVQSNSEFDVBH-HNNXBMFYSA-N 2 1 380.290 2.215 20 0 GEADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022488 648743141 /nfs/dbraw/zinc/74/31/41/648743141.db2.gz SLJVWSHGAAKZPE-RDJZCZTQSA-N 2 1 387.293 2.356 20 0 GEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022488 648743147 /nfs/dbraw/zinc/74/31/47/648743147.db2.gz SLJVWSHGAAKZPE-RDJZCZTQSA-N 2 1 387.293 2.356 20 0 GEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022488 648743149 /nfs/dbraw/zinc/74/31/49/648743149.db2.gz SLJVWSHGAAKZPE-RDJZCZTQSA-N 2 1 387.293 2.356 20 0 GEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022488 648743154 /nfs/dbraw/zinc/74/31/54/648743154.db2.gz SLJVWSHGAAKZPE-RDJZCZTQSA-N 2 1 387.293 2.356 20 0 GEADMP C[NH+](C)[C@]1(CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCSC1 ZINC000551389730 651123623 /nfs/dbraw/zinc/12/36/23/651123623.db2.gz HXZAVGOHWGBZFZ-IOASZLSFSA-N 2 1 381.508 2.449 20 0 GEADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000564202190 651560623 /nfs/dbraw/zinc/56/06/23/651560623.db2.gz BKYKRIPQFIDWEF-HNNXBMFYSA-N 2 1 377.312 2.434 20 0 GEADMP O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000569912848 651732966 /nfs/dbraw/zinc/73/29/66/651732966.db2.gz KHVPKPYAQFSEIP-ZDUSSCGKSA-N 2 1 392.352 2.299 20 0 GEADMP CCN1CCN(C(=O)[C@H](C)[N@@H+](C)CCOc2ccc(Br)cc2)CC1 ZINC000612122126 651745867 /nfs/dbraw/zinc/74/58/67/651745867.db2.gz LWGFXYHVECAAHW-HNNXBMFYSA-N 2 1 398.345 2.312 20 0 GEADMP CCN1CCN(C(=O)[C@H](C)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000612122126 651745871 /nfs/dbraw/zinc/74/58/71/651745871.db2.gz LWGFXYHVECAAHW-HNNXBMFYSA-N 2 1 398.345 2.312 20 0 GEADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1ccc(Cl)c(Cl)c1 ZINC000647517807 651749354 /nfs/dbraw/zinc/74/93/54/651749354.db2.gz GGCRUXQJTBORCF-UONOGXRCSA-N 2 1 377.312 2.170 20 0 GEADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1cc(Cl)ccc1Cl ZINC000570162026 651750777 /nfs/dbraw/zinc/75/07/77/651750777.db2.gz CZKQOSIGWINZBO-GJZGRUSLSA-N 2 1 377.312 2.170 20 0 GEADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000570687401 651783870 /nfs/dbraw/zinc/78/38/70/651783870.db2.gz VBPZTNBFQCWCOH-PBHICJAKSA-N 2 1 397.317 2.001 20 0 GEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000652349026 651915963 /nfs/dbraw/zinc/91/59/63/651915963.db2.gz ZGGCRSFRDPVDPM-YUELXQCFSA-N 2 1 397.317 2.001 20 0 GEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000652349026 651915967 /nfs/dbraw/zinc/91/59/67/651915967.db2.gz ZGGCRSFRDPVDPM-YUELXQCFSA-N 2 1 397.317 2.001 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000617505642 651955090 /nfs/dbraw/zinc/95/50/90/651955090.db2.gz LGUFPWODQFMDBI-LBPRGKRZSA-N 2 1 396.333 2.327 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000617505642 651955094 /nfs/dbraw/zinc/95/50/94/651955094.db2.gz LGUFPWODQFMDBI-LBPRGKRZSA-N 2 1 396.333 2.327 20 0 GEADMP O=C(NC[C@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000577486461 652192461 /nfs/dbraw/zinc/19/24/61/652192461.db2.gz WIOBZUBAQKABFV-QGZVFWFLSA-N 2 1 395.345 2.465 20 0 GEADMP [NH3+][C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Br ZINC000662357241 652457177 /nfs/dbraw/zinc/45/71/77/652457177.db2.gz UQKSWAZDKJHVLD-INIZCTEOSA-N 2 1 375.270 2.193 20 0 GEADMP C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000628968858 652476739 /nfs/dbraw/zinc/47/67/39/652476739.db2.gz SZYZYSGPPLFTJD-SUMWQHHRSA-N 2 1 387.355 2.348 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629558545 652493285 /nfs/dbraw/zinc/49/32/85/652493285.db2.gz JGZBHTMLKBJVJL-HNNXBMFYSA-N 2 1 384.318 2.132 20 0 GEADMP C[C@@H](CCCC[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595952103 652742990 /nfs/dbraw/zinc/74/29/90/652742990.db2.gz WVBNVUFVHCAQOY-QMMMGPOBSA-N 2 1 393.294 2.203 20 0 GEADMP COc1nsc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1Br ZINC000639057003 652918154 /nfs/dbraw/zinc/91/81/54/652918154.db2.gz KREIJLBBGISKCX-UHFFFAOYSA-N 2 1 391.379 2.420 20 0 GEADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000639761992 652952217 /nfs/dbraw/zinc/95/22/17/652952217.db2.gz PVJUIWDUJUZCIX-KRWDZBQOSA-N 2 1 384.318 2.166 20 0 GEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000639761992 652952220 /nfs/dbraw/zinc/95/22/20/652952220.db2.gz PVJUIWDUJUZCIX-KRWDZBQOSA-N 2 1 384.318 2.166 20 0 GEADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc(Br)cc3F)nn2)CC1 ZINC000640798341 653139454 /nfs/dbraw/zinc/13/94/54/653139454.db2.gz OPIZRPTUIATLHQ-UHFFFAOYSA-N 2 1 382.281 2.194 20 0 GEADMP COc1ccc(Br)cc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640876565 653143055 /nfs/dbraw/zinc/14/30/55/653143055.db2.gz MDTVQOKUNXARBA-UHFFFAOYSA-N 2 1 394.317 2.063 20 0 GEADMP COc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c(Br)c1 ZINC000641118718 653159161 /nfs/dbraw/zinc/15/91/61/653159161.db2.gz SPDXEIYLMJKWHP-UHFFFAOYSA-N 2 1 394.317 2.063 20 0 GEADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2c(Cl)n(C)nc2C(F)(F)F)C1 ZINC000774774335 653253958 /nfs/dbraw/zinc/25/39/58/653253958.db2.gz DWIUWAPBLZAXCP-SNVBAGLBSA-N 2 1 383.802 2.200 20 0 GEADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2c(Cl)n(C)nc2C(F)(F)F)C1 ZINC000774774335 653253971 /nfs/dbraw/zinc/25/39/71/653253971.db2.gz DWIUWAPBLZAXCP-SNVBAGLBSA-N 2 1 383.802 2.200 20 0 GEADMP Cn1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(Br)n1 ZINC000858086839 653347506 /nfs/dbraw/zinc/34/75/06/653347506.db2.gz OGYJUVWKWJPDRT-CQSZACIVSA-N 2 1 398.374 2.322 20 0 GEADMP C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000878557348 653640816 /nfs/dbraw/zinc/64/08/16/653640816.db2.gz SSROMHQTQDQXBH-OAHLLOKOSA-N 2 1 382.302 2.073 20 0 GEADMP C[NH+](C)CCNC(=S)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000840873508 653697049 /nfs/dbraw/zinc/69/70/49/653697049.db2.gz RQILYUVSGOWAGQ-UHFFFAOYSA-N 2 1 399.402 2.439 20 0 GEADMP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(Br)nn3C)CC2)CC1 ZINC000817413786 653710792 /nfs/dbraw/zinc/71/07/92/653710792.db2.gz JIBPZYPGYBIXOH-UHFFFAOYSA-N 2 1 384.366 2.175 20 0 GEADMP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(Br)nn3C)CC2)CC1 ZINC000817413786 653710795 /nfs/dbraw/zinc/71/07/95/653710795.db2.gz JIBPZYPGYBIXOH-UHFFFAOYSA-N 2 1 384.366 2.175 20 0 GEADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000863549443 653715418 /nfs/dbraw/zinc/71/54/18/653715418.db2.gz DDGDJBOZVKTJHM-CVEARBPZSA-N 2 1 380.286 2.206 20 0 GEADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000863550550 653715607 /nfs/dbraw/zinc/71/56/07/653715607.db2.gz ZNNYNMLKQXWBEY-OLZOCXBDSA-N 2 1 386.315 2.268 20 0 GEADMP O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C[NH+]1CCCCC1 ZINC000843061280 653778367 /nfs/dbraw/zinc/77/83/67/653778367.db2.gz DJVUIUDAOKKBEZ-CZUORRHYSA-N 2 1 375.282 2.058 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(N(C)C)nc1Cl ZINC000822951661 653847160 /nfs/dbraw/zinc/84/71/60/653847160.db2.gz DWHLFHOQDYQPNW-ZDUSSCGKSA-N 2 1 387.981 2.351 20 0 GEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000849116680 654005210 /nfs/dbraw/zinc/00/52/10/654005210.db2.gz SOOQRLSKFPUFTA-HNNXBMFYSA-N 2 1 386.949 2.232 20 0 GEADMP O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903906848 654291504 /nfs/dbraw/zinc/29/15/04/654291504.db2.gz ZPCSCVZSIRQOGQ-ZXFUBFMLSA-N 2 1 383.945 2.177 20 0 GEADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904474091 654312171 /nfs/dbraw/zinc/31/21/71/654312171.db2.gz TUXKZPWRUXQDHV-QAPCUYQASA-N 2 1 378.519 2.497 20 0 GEADMP Cc1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1Br ZINC000872256774 654320472 /nfs/dbraw/zinc/32/04/72/654320472.db2.gz YBNLUMNAPZZUCT-BMFZPTHFSA-N 2 1 380.286 2.124 20 0 GEADMP Cc1cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1Br ZINC000872256774 654320475 /nfs/dbraw/zinc/32/04/75/654320475.db2.gz YBNLUMNAPZZUCT-BMFZPTHFSA-N 2 1 380.286 2.124 20 0 GEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923290510 654441598 /nfs/dbraw/zinc/44/15/98/654441598.db2.gz XXKAYQPSBDPIDP-SLEUVZQESA-N 2 1 375.282 2.387 20 0 GEADMP O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923367365 654446920 /nfs/dbraw/zinc/44/69/20/654446920.db2.gz UJWPHEOGKOEUMO-DOTOQJQBSA-N 2 1 387.293 2.403 20 0 GEADMP O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923367365 654446924 /nfs/dbraw/zinc/44/69/24/654446924.db2.gz UJWPHEOGKOEUMO-DOTOQJQBSA-N 2 1 387.293 2.403 20 0 GEADMP C[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923412201 654451085 /nfs/dbraw/zinc/45/10/85/654451085.db2.gz PYODGVFCSAJYFS-ZBFHGGJFSA-N 2 1 375.296 2.043 20 0 GEADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000925775697 654549092 /nfs/dbraw/zinc/54/90/92/654549092.db2.gz RLSIEKVTLZGJGI-AFAVFJNCSA-N 2 1 379.302 2.477 20 0 GEADMP O=C(Nc1cncc(Br)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000926080224 654558055 /nfs/dbraw/zinc/55/80/55/654558055.db2.gz RZGNISTVPPPHJR-IYBDPMFKSA-N 2 1 394.317 2.277 20 0 GEADMP COC(=O)c1ccc(Br)c(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931479414 654743366 /nfs/dbraw/zinc/74/33/66/654743366.db2.gz QVHSVHVLDVQWNS-UHFFFAOYSA-N 2 1 385.302 2.124 20 0 GEADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931488117 654743971 /nfs/dbraw/zinc/74/39/71/654743971.db2.gz OSJXCLMEQCZHJY-UHFFFAOYSA-N 2 1 388.339 2.340 20 0 GEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)COc3cc(F)cc(Br)c3)C[C@]2(C)C1 ZINC000933733054 654822203 /nfs/dbraw/zinc/82/22/03/654822203.db2.gz ZTWBTYHCDITLCK-VMGRFDJRSA-N 2 1 387.293 2.211 20 0 GEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)COc3cc(F)cc(Br)c3)C[C@]2(C)C1 ZINC000933733054 654822206 /nfs/dbraw/zinc/82/22/06/654822206.db2.gz ZTWBTYHCDITLCK-VMGRFDJRSA-N 2 1 387.293 2.211 20 0 GEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C[C@]2(C)C1 ZINC000933733054 654822208 /nfs/dbraw/zinc/82/22/08/654822208.db2.gz ZTWBTYHCDITLCK-VMGRFDJRSA-N 2 1 387.293 2.211 20 0 GEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C[C@]2(C)C1 ZINC000933733054 654822210 /nfs/dbraw/zinc/82/22/10/654822210.db2.gz ZTWBTYHCDITLCK-VMGRFDJRSA-N 2 1 387.293 2.211 20 0 GEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CO)c1ccccc1I ZINC000934827438 654861857 /nfs/dbraw/zinc/86/18/57/654861857.db2.gz WBCCWSCEALVPEI-HNNXBMFYSA-N 2 1 385.249 2.281 20 0 GEADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(C3CC[NH2+]CC3)n1)C2 ZINC001164807021 720145586 /nfs/dbraw/zinc/14/55/86/720145586.db2.gz AJSJWMHEMYOTLT-KNQAVFIVSA-N 2 1 385.556 2.128 20 0 GEADMP CCN(C)c1cc(C)[nH+]c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164811318 720207629 /nfs/dbraw/zinc/20/76/29/720207629.db2.gz GDNKMDXPERHHCC-UHFFFAOYSA-N 2 1 399.543 2.048 20 0 GEADMP CCN(C)c1cc(C)[nH+]c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164811318 720207639 /nfs/dbraw/zinc/20/76/39/720207639.db2.gz GDNKMDXPERHHCC-UHFFFAOYSA-N 2 1 399.543 2.048 20 0 GEADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCCC3)cc[nH+]1)CCC2 ZINC001164812940 720230714 /nfs/dbraw/zinc/23/07/14/720230714.db2.gz KQSJKDBSPYLWDA-UHFFFAOYSA-N 2 1 396.539 2.489 20 0 GEADMP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164821215 720286243 /nfs/dbraw/zinc/28/62/43/720286243.db2.gz ZERXBMMCRBLXMY-DLBZAZTESA-N 2 1 382.512 2.178 20 0 GEADMP CCc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164733968 720408732 /nfs/dbraw/zinc/40/87/32/720408732.db2.gz RCRYMGNMYZMDRG-PMACEKPBSA-N 2 1 394.523 2.124 20 0 GEADMP CCc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164733968 720408733 /nfs/dbraw/zinc/40/87/33/720408733.db2.gz RCRYMGNMYZMDRG-PMACEKPBSA-N 2 1 394.523 2.124 20 0 GEADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164842783 720701183 /nfs/dbraw/zinc/70/11/83/720701183.db2.gz NEJGUGBRSPFAIJ-HXUWFJFHSA-N 2 1 393.535 2.382 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH]1 ZINC001164737414 720821464 /nfs/dbraw/zinc/82/14/64/720821464.db2.gz AYPLANNFUQQVJL-JENIJYKNSA-N 2 1 392.511 2.237 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH]1 ZINC001164737414 720821468 /nfs/dbraw/zinc/82/14/68/720821468.db2.gz AYPLANNFUQQVJL-JENIJYKNSA-N 2 1 392.511 2.237 20 0 GEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)nc5c4CC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164772321 721185360 /nfs/dbraw/zinc/18/53/60/721185360.db2.gz SBCOOUUOUVFJPA-JKSUJKDBSA-N 2 1 386.931 2.073 20 0 GEADMP Cn1ccc2c1cc[nH+]c2N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164885070 721396751 /nfs/dbraw/zinc/39/67/51/721396751.db2.gz CHPOOUPBIKQTHP-XMSQKQJNSA-N 2 1 383.540 2.339 20 0 GEADMP c1csc(C[NH+]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@@H]3C2)n1 ZINC001164780859 721437929 /nfs/dbraw/zinc/43/79/29/721437929.db2.gz AQTJQYXDJHXABM-ROUUACIJSA-N 2 1 399.564 2.485 20 0 GEADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164793206 721491946 /nfs/dbraw/zinc/49/19/46/721491946.db2.gz PIOAKFPBSNAELY-UHFFFAOYSA-N 2 1 378.524 2.398 20 0 GEADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164791035 721492667 /nfs/dbraw/zinc/49/26/67/721492667.db2.gz AHCNAWSGBVZTLE-UHFFFAOYSA-N 2 1 378.524 2.398 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3CC[NH2+]CC4)C[C@@H]21 ZINC001165026897 721799991 /nfs/dbraw/zinc/79/99/91/721799991.db2.gz SCSBRVNTOLZMPE-PIPMEXSNSA-N 2 1 392.551 2.297 20 0 GEADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5c4CC[NH2+]C5)CC3)C2)cc1 ZINC001164940455 721923777 /nfs/dbraw/zinc/92/37/77/721923777.db2.gz QWCNZYPWPFLPIG-UHFFFAOYSA-N 2 1 393.535 2.302 20 0 GEADMP Cn1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981450 722104955 /nfs/dbraw/zinc/10/49/55/722104955.db2.gz LNFHJJOMHBETSP-PKOBYXMFSA-N 2 1 378.480 2.091 20 0 GEADMP Cn1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981450 722104958 /nfs/dbraw/zinc/10/49/58/722104958.db2.gz LNFHJJOMHBETSP-PKOBYXMFSA-N 2 1 378.480 2.091 20 0 GEADMP C[NH+](C)CCOCc1ncn2c1CN(c1cc[nH+]c(N3CCCCC3)n1)CCC2 ZINC001165004115 722255931 /nfs/dbraw/zinc/25/59/31/722255931.db2.gz NDQMNMYIYRXSBA-UHFFFAOYSA-N 2 1 399.543 2.152 20 0 GEADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000171657202 531911001 /nfs/dbraw/zinc/91/10/01/531911001.db2.gz HGABVYLNXTXOPZ-UHFFFAOYSA-N 2 1 386.309 2.478 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000179315911 532228259 /nfs/dbraw/zinc/22/82/59/532228259.db2.gz DRFRRNDXOLCOGQ-HNNXBMFYSA-N 2 1 384.293 2.329 20 0 GEADMP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178979020 532219554 /nfs/dbraw/zinc/21/95/54/532219554.db2.gz NSTADFOLPZTEJV-CQSZACIVSA-N 2 1 381.318 2.494 20 0 GEADMP O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000516435420 532385697 /nfs/dbraw/zinc/38/56/97/532385697.db2.gz AZSCOXPMSMGYGM-AWEZNQCLSA-N 2 1 389.924 2.175 20 0 GEADMP C[NH+](C)CCN1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1=O ZINC000651383056 532468876 /nfs/dbraw/zinc/46/88/76/532468876.db2.gz HXKLPOBYZRUNOF-UHFFFAOYSA-N 2 1 377.286 2.208 20 0 GEADMP COc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(Br)c1O ZINC000282536488 532476075 /nfs/dbraw/zinc/47/60/75/532476075.db2.gz ZLKSTDOPBKMEFB-UHFFFAOYSA-N 2 1 386.334 2.279 20 0 GEADMP COc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(Br)c1O ZINC000282536488 532476081 /nfs/dbraw/zinc/47/60/81/532476081.db2.gz ZLKSTDOPBKMEFB-UHFFFAOYSA-N 2 1 386.334 2.279 20 0 GEADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000521358469 532513148 /nfs/dbraw/zinc/51/31/48/532513148.db2.gz XSIXGHMIAHHGDT-MRXNPFEDSA-N 2 1 396.329 2.369 20 0 GEADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000521358469 532513151 /nfs/dbraw/zinc/51/31/51/532513151.db2.gz XSIXGHMIAHHGDT-MRXNPFEDSA-N 2 1 396.329 2.369 20 0 GEADMP Cc1cc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccc1Br ZINC000469996468 532517568 /nfs/dbraw/zinc/51/75/68/532517568.db2.gz NVCCPKNGQIENLX-MRXNPFEDSA-N 2 1 380.330 2.401 20 0 GEADMP Cc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1Br ZINC000470017055 532518655 /nfs/dbraw/zinc/51/86/55/532518655.db2.gz IXTRUOYVDXVIGH-INIZCTEOSA-N 2 1 380.330 2.401 20 0 GEADMP O[C@H](C[NH2+][C@H]1CCc2ccc(I)cc21)C[NH+]1CCCC1 ZINC000595017263 532541123 /nfs/dbraw/zinc/54/11/23/532541123.db2.gz LEQIQYYEXUQDSW-ZBFHGGJFSA-N 2 1 386.277 2.325 20 0 GEADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000470257208 532524141 /nfs/dbraw/zinc/52/41/41/532524141.db2.gz JQYOLPOPJUNXFF-YJBOKZPZSA-N 2 1 393.329 2.261 20 0 GEADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000470257208 532524145 /nfs/dbraw/zinc/52/41/45/532524145.db2.gz JQYOLPOPJUNXFF-YJBOKZPZSA-N 2 1 393.329 2.261 20 0 GEADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000470257200 532524458 /nfs/dbraw/zinc/52/44/58/532524458.db2.gz JQYOLPOPJUNXFF-CRAIPNDOSA-N 2 1 393.329 2.261 20 0 GEADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000470257200 532524462 /nfs/dbraw/zinc/52/44/62/532524462.db2.gz JQYOLPOPJUNXFF-CRAIPNDOSA-N 2 1 393.329 2.261 20 0 GEADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261743152 532578644 /nfs/dbraw/zinc/57/86/44/532578644.db2.gz TULKTVOZHKRCRD-LBPRGKRZSA-N 2 1 387.311 2.109 20 0 GEADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000566732557 532626547 /nfs/dbraw/zinc/62/65/47/532626547.db2.gz BTTQJSNYDCIFSQ-KDOFPFPSSA-N 2 1 382.346 2.320 20 0 GEADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000566732557 532626551 /nfs/dbraw/zinc/62/65/51/532626551.db2.gz BTTQJSNYDCIFSQ-KDOFPFPSSA-N 2 1 382.346 2.320 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000568621556 532683645 /nfs/dbraw/zinc/68/36/45/532683645.db2.gz UTSICDMDYRQRKU-HNNXBMFYSA-N 2 1 384.318 2.131 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000568621556 532683651 /nfs/dbraw/zinc/68/36/51/532683651.db2.gz UTSICDMDYRQRKU-HNNXBMFYSA-N 2 1 384.318 2.131 20 0 GEADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439440808 532693169 /nfs/dbraw/zinc/69/31/69/532693169.db2.gz QPSSHCAUGOZYFP-DOMZBBRYSA-N 2 1 375.282 2.211 20 0 GEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439440808 532693174 /nfs/dbraw/zinc/69/31/74/532693174.db2.gz QPSSHCAUGOZYFP-DOMZBBRYSA-N 2 1 375.282 2.211 20 0 GEADMP [NH3+][C@@H](C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1Br ZINC000638785584 532687622 /nfs/dbraw/zinc/68/76/22/532687622.db2.gz DHDSVPQUTBVVON-RHSMWYFYSA-N 2 1 396.329 2.066 20 0 GEADMP Cc1cc(Br)c2c(c1)C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000414760065 532834407 /nfs/dbraw/zinc/83/44/07/532834407.db2.gz PVXOOUBGMUUKPA-CQSZACIVSA-N 2 1 380.330 2.313 20 0 GEADMP Oc1ccc(Br)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414993283 532836910 /nfs/dbraw/zinc/83/69/10/532836910.db2.gz UIQFGTGRKTZSDO-ZDUSSCGKSA-N 2 1 382.224 2.080 20 0 GEADMP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCN1C1CCOCC1 ZINC000359893586 212122434 /nfs/dbraw/zinc/12/24/34/212122434.db2.gz DULCKRSPZSEPMK-BDKRGJGYSA-N 2 1 383.536 2.267 20 0 GEADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000360695954 532890695 /nfs/dbraw/zinc/89/06/95/532890695.db2.gz BKCTXCNVAXOVIM-KRWDZBQOSA-N 2 1 384.293 2.231 20 0 GEADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000735856932 598762715 /nfs/dbraw/zinc/76/27/15/598762715.db2.gz MBAKOJYWZDQFIS-LJQANCHMSA-N 2 1 397.527 2.024 20 0 GEADMP O[C@H](C[NH+]1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)c1ccccc1 ZINC000823675443 606419436 /nfs/dbraw/zinc/41/94/36/606419436.db2.gz WXKXBROJYJMPRA-GOSISDBHSA-N 2 1 398.536 2.463 20 0 GEADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000822324134 606859962 /nfs/dbraw/zinc/85/99/62/606859962.db2.gz WIFVWSQBOFXICV-MAUKXSAKSA-N 2 1 379.468 2.038 20 0 GEADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000822324134 606859963 /nfs/dbraw/zinc/85/99/63/606859963.db2.gz WIFVWSQBOFXICV-MAUKXSAKSA-N 2 1 379.468 2.038 20 0 GEADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703473 606899204 /nfs/dbraw/zinc/89/92/04/606899204.db2.gz FZPCJFOEUJJNKE-HLIPFELVSA-N 2 1 384.528 2.487 20 0 GEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703473 606899205 /nfs/dbraw/zinc/89/92/05/606899205.db2.gz FZPCJFOEUJJNKE-HLIPFELVSA-N 2 1 384.528 2.487 20 0 GEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703473 606899206 /nfs/dbraw/zinc/89/92/06/606899206.db2.gz FZPCJFOEUJJNKE-HLIPFELVSA-N 2 1 384.528 2.487 20 0 GEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703473 606899207 /nfs/dbraw/zinc/89/92/07/606899207.db2.gz FZPCJFOEUJJNKE-HLIPFELVSA-N 2 1 384.528 2.487 20 0 GEADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824624974 609406759 /nfs/dbraw/zinc/40/67/59/609406759.db2.gz CZNYADSWZLVUOK-KBXCAEBGSA-N 2 1 396.470 2.423 20 0 GEADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824624977 609406824 /nfs/dbraw/zinc/40/68/24/609406824.db2.gz CZNYADSWZLVUOK-KDOFPFPSSA-N 2 1 396.470 2.423 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1sccc1Cl ZINC000451147465 650090383 /nfs/dbraw/zinc/09/03/83/650090383.db2.gz QXAMUSRVDVQDSK-ZDUSSCGKSA-N 2 1 379.979 2.438 20 0 GEADMP Cc1cc(Br)c(C[NH2+]CCCCN2CC[NH+](CCO)CC2)s1 ZINC000453586787 650209508 /nfs/dbraw/zinc/20/95/08/650209508.db2.gz JRMDVVIOWPHXNT-UHFFFAOYSA-N 2 1 390.391 2.299 20 0 GEADMP CSc1ccc([C@H](CNC(=O)NCC[NH+]2CCSCC2)[NH+](C)C)cc1 ZINC000458387012 650401579 /nfs/dbraw/zinc/40/15/79/650401579.db2.gz OJDOJVJOBZBVPW-KRWDZBQOSA-N 2 1 382.599 2.359 20 0 GEADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)o1 ZINC000480303980 650619433 /nfs/dbraw/zinc/61/94/33/650619433.db2.gz GKEDCPZGVWCWPU-INIZCTEOSA-N 2 1 394.313 2.421 20 0 GEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000482434523 650665302 /nfs/dbraw/zinc/66/53/02/650665302.db2.gz GWNTZZSGEWBGOV-MRXNPFEDSA-N 2 1 384.293 2.329 20 0 GEADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCC[NH+]1CCSCC1 ZINC000491033814 650782310 /nfs/dbraw/zinc/78/23/10/650782310.db2.gz QWKXFWRMNXFPKE-UHFFFAOYSA-N 2 1 384.977 2.462 20 0 GEADMP COc1ccc(Br)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000092615658 643072502 /nfs/dbraw/zinc/07/25/02/643072502.db2.gz ZCWBTCNSHUEQDZ-UHFFFAOYSA-N 2 1 398.345 2.348 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000097575894 643096467 /nfs/dbraw/zinc/09/64/67/643096467.db2.gz YIWDTMZJAHHDAE-HNNXBMFYSA-N 2 1 388.965 2.080 20 0 GEADMP CSCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000497735487 650839392 /nfs/dbraw/zinc/83/93/92/650839392.db2.gz NUBHIPGYRNUUSX-MRXNPFEDSA-N 2 1 384.977 2.049 20 0 GEADMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)cc(I)c1OC ZINC000237111910 645423482 /nfs/dbraw/zinc/42/34/82/645423482.db2.gz IYRMPRUFWSEKEL-UHFFFAOYSA-N 2 1 390.265 2.492 20 0 GEADMP CSC[C@@H]1CCCN1CCS(=O)(=O)CC[N@H+]1CCC[C@H]1CSC ZINC000247293279 645509379 /nfs/dbraw/zinc/50/93/79/645509379.db2.gz UHFMSGBKOXYUQL-HOTGVXAUSA-N 2 1 380.645 2.056 20 0 GEADMP CSC[C@@H]1CCCN1CCS(=O)(=O)CCN1CCC[C@H]1CSC ZINC000247293279 645509388 /nfs/dbraw/zinc/50/93/88/645509388.db2.gz UHFMSGBKOXYUQL-HOTGVXAUSA-N 2 1 380.645 2.056 20 0 GEADMP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261819148 645603032 /nfs/dbraw/zinc/60/30/32/645603032.db2.gz IEXRUFIGZOZSIB-UONOGXRCSA-N 2 1 381.318 2.494 20 0 GEADMP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261819146 645603144 /nfs/dbraw/zinc/60/31/44/645603144.db2.gz IEXRUFIGZOZSIB-KGLIPLIRSA-N 2 1 381.318 2.494 20 0 GEADMP [NH3+]C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000417885392 648264442 /nfs/dbraw/zinc/26/44/42/648264442.db2.gz IUPVRADUEXJPKX-OAHLLOKOSA-N 2 1 395.345 2.404 20 0 GEADMP C[C@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417885404 648264553 /nfs/dbraw/zinc/26/45/53/648264553.db2.gz IWQNYZZRBVRMJH-STQMWFEESA-N 2 1 383.334 2.448 20 0 GEADMP COc1cc(Br)c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1O ZINC000443068751 648858811 /nfs/dbraw/zinc/85/88/11/648858811.db2.gz LKHYFAGWDZGGET-UHFFFAOYSA-N 2 1 386.334 2.279 20 0 GEADMP COc1cc(Br)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1O ZINC000443068751 648858815 /nfs/dbraw/zinc/85/88/15/648858815.db2.gz LKHYFAGWDZGGET-UHFFFAOYSA-N 2 1 386.334 2.279 20 0 GEADMP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000552089836 651139943 /nfs/dbraw/zinc/13/99/43/651139943.db2.gz XCUGAPOOFRVDIV-NEPJUHHUSA-N 2 1 380.341 2.344 20 0 GEADMP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000552089836 651139946 /nfs/dbraw/zinc/13/99/46/651139946.db2.gz XCUGAPOOFRVDIV-NEPJUHHUSA-N 2 1 380.341 2.344 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1(C)C ZINC000644639556 651560183 /nfs/dbraw/zinc/56/01/83/651560183.db2.gz FWLRBAITVLEFNY-HNNXBMFYSA-N 2 1 390.355 2.349 20 0 GEADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1cc(Cl)ccc1Cl ZINC000570162027 651750672 /nfs/dbraw/zinc/75/06/72/651750672.db2.gz CZKQOSIGWINZBO-LSDHHAIUSA-N 2 1 377.312 2.170 20 0 GEADMP OC[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccccc1Br ZINC000655758557 652009919 /nfs/dbraw/zinc/00/99/19/652009919.db2.gz AUGSXGCGZBKMGQ-QAPCUYQASA-N 2 1 397.357 2.443 20 0 GEADMP C[NH+](C)CCn1cc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)cn1 ZINC000662425942 652460139 /nfs/dbraw/zinc/46/01/39/652460139.db2.gz PCPZDGTXOWDRIN-UHFFFAOYSA-N 2 1 384.303 2.124 20 0 GEADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629560434 652493149 /nfs/dbraw/zinc/49/31/49/652493149.db2.gz YLXMOWVJXRVMBC-OAHLLOKOSA-N 2 1 384.318 2.132 20 0 GEADMP O=C(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1cccc(Br)c1 ZINC000584834050 652531135 /nfs/dbraw/zinc/53/11/35/652531135.db2.gz OCSLJNCPTCFFOO-OWCLPIDISA-N 2 1 382.302 2.134 20 0 GEADMP O=C(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Nc1cccc(Br)c1 ZINC000584834049 652531164 /nfs/dbraw/zinc/53/11/64/652531164.db2.gz OCSLJNCPTCFFOO-HRCADAONSA-N 2 1 382.302 2.134 20 0 GEADMP Cc1cnc(NCC[N@@H+](C)CCC[NH+](C)C)c(I)c1 ZINC000596423832 652762115 /nfs/dbraw/zinc/76/21/15/652762115.db2.gz CXQZNIJPJKSJIB-UHFFFAOYSA-N 2 1 376.286 2.290 20 0 GEADMP Cc1cnc(NCC[N@H+](C)CCC[NH+](C)C)c(I)c1 ZINC000596423832 652762120 /nfs/dbraw/zinc/76/21/20/652762120.db2.gz CXQZNIJPJKSJIB-UHFFFAOYSA-N 2 1 376.286 2.290 20 0 GEADMP [NH3+]C1CC[NH+](CCc2cn(CCOc3cccc(Br)c3)nn2)CC1 ZINC000640796897 653139637 /nfs/dbraw/zinc/13/96/37/653139637.db2.gz OQXLPAWFELOODH-UHFFFAOYSA-N 2 1 394.317 2.085 20 0 GEADMP [NH3+]C[C@@H]1CN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C[C@H]1C(F)(F)F ZINC000877355070 653478036 /nfs/dbraw/zinc/47/80/36/653478036.db2.gz GGHHRIHSBYFXGB-HTRCEHHLSA-N 2 1 398.248 2.323 20 0 GEADMP CC[NH+]1CCC([N@@H+]2CCCN(Cn3nc(N(C)C)sc3=S)CC2)CC1 ZINC000817371752 653709439 /nfs/dbraw/zinc/70/94/39/653709439.db2.gz BLLFNXPDSYJLBZ-UHFFFAOYSA-N 2 1 384.619 2.190 20 0 GEADMP CC[NH+]1CCC([N@H+]2CCCN(Cn3nc(N(C)C)sc3=S)CC2)CC1 ZINC000817371752 653709441 /nfs/dbraw/zinc/70/94/41/653709441.db2.gz BLLFNXPDSYJLBZ-UHFFFAOYSA-N 2 1 384.619 2.190 20 0 GEADMP Cn1nc(Br)cc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000785481245 653709845 /nfs/dbraw/zinc/70/98/45/653709845.db2.gz GHHFECMRMYFHOF-UHFFFAOYSA-N 2 1 393.329 2.429 20 0 GEADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)C2 ZINC000843111190 653779617 /nfs/dbraw/zinc/77/96/17/653779617.db2.gz DSBRMPGUOVEFQA-QAPCUYQASA-N 2 1 394.313 2.127 20 0 GEADMP O=[S@]1C[C@@H]2C[C@H]1C[NH+]2CCCCCCCCC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844435928 653806363 /nfs/dbraw/zinc/80/63/63/653806363.db2.gz ZZNFJWJOZBPAHM-KBZBSOPLSA-N 2 1 386.627 2.128 20 0 GEADMP O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2CCCCCCCCC[NH+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844435928 653806367 /nfs/dbraw/zinc/80/63/67/653806367.db2.gz ZZNFJWJOZBPAHM-KBZBSOPLSA-N 2 1 386.627 2.128 20 0 GEADMP O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCCCCC[NH+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844435928 653806370 /nfs/dbraw/zinc/80/63/70/653806370.db2.gz ZZNFJWJOZBPAHM-KBZBSOPLSA-N 2 1 386.627 2.128 20 0 GEADMP Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712754 653814224 /nfs/dbraw/zinc/81/42/24/653814224.db2.gz WMIOZIYSFQWDIM-XHSDSOJGSA-N 2 1 380.286 2.124 20 0 GEADMP Cc1cc(Br)ccc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712754 653814226 /nfs/dbraw/zinc/81/42/26/653814226.db2.gz WMIOZIYSFQWDIM-XHSDSOJGSA-N 2 1 380.286 2.124 20 0 GEADMP [NH3+][C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000884220495 653868214 /nfs/dbraw/zinc/86/82/14/653868214.db2.gz UXQMGFMDZPWCHF-KRWDZBQOSA-N 2 1 396.329 2.020 20 0 GEADMP Brc1cnc2n1C[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000898720308 653982062 /nfs/dbraw/zinc/98/20/62/653982062.db2.gz LWMHRWDZHGEKBU-LSDHHAIUSA-N 2 1 383.334 2.193 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)cc1Br ZINC000849107891 654004691 /nfs/dbraw/zinc/00/46/91/654004691.db2.gz FIAAJBIVESTGJL-CQSZACIVSA-N 2 1 397.317 2.334 20 0 GEADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870884207 654203069 /nfs/dbraw/zinc/20/30/69/654203069.db2.gz PJSBBBYWEXFYAK-MRXNPFEDSA-N 2 1 398.345 2.455 20 0 GEADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@@H]3C[C@]3(C)Br)cc2)CC1 ZINC000892582810 654352569 /nfs/dbraw/zinc/35/25/69/654352569.db2.gz MXCACPZZJCGUHW-WMZOPIPTSA-N 2 1 380.330 2.337 20 0 GEADMP Cc1sc(Br)nc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346436 654414251 /nfs/dbraw/zinc/41/42/51/654414251.db2.gz BXYFQZTWQULCEA-JTQLQIEISA-N 2 1 377.352 2.216 20 0 GEADMP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923283755 654441584 /nfs/dbraw/zinc/44/15/84/654441584.db2.gz YBAXXZURXYPODX-DOMZBBRYSA-N 2 1 375.282 2.259 20 0 GEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923283755 654441586 /nfs/dbraw/zinc/44/15/86/654441586.db2.gz YBAXXZURXYPODX-DOMZBBRYSA-N 2 1 375.282 2.259 20 0 GEADMP O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923367369 654446993 /nfs/dbraw/zinc/44/69/93/654446993.db2.gz UJWPHEOGKOEUMO-RDJZCZTQSA-N 2 1 387.293 2.403 20 0 GEADMP O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923367369 654446995 /nfs/dbraw/zinc/44/69/95/654446995.db2.gz UJWPHEOGKOEUMO-RDJZCZTQSA-N 2 1 387.293 2.403 20 0 GEADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000923460550 654454268 /nfs/dbraw/zinc/45/42/68/654454268.db2.gz FMEDRYUINLUQKG-KRWDZBQOSA-N 2 1 385.339 2.152 20 0 GEADMP O[C@@H](COc1ccc(Cl)cc1Br)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515596 654458703 /nfs/dbraw/zinc/45/87/03/654458703.db2.gz IICBZGCCSRHQCJ-OUCADQQQSA-N 2 1 389.721 2.384 20 0 GEADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)CC3([NH+](C)C)CC3)C2)s1 ZINC000907347951 654534549 /nfs/dbraw/zinc/53/45/49/654534549.db2.gz YGGJELKSAODJKO-INIZCTEOSA-N 2 1 385.599 2.234 20 0 GEADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)S(=O)(=O)CC3([NH+](C)C)CC3)C2)s1 ZINC000907347951 654534552 /nfs/dbraw/zinc/53/45/52/654534552.db2.gz YGGJELKSAODJKO-INIZCTEOSA-N 2 1 385.599 2.234 20 0 GEADMP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ncc(Br)cc1F ZINC000925849091 654551228 /nfs/dbraw/zinc/55/12/28/654551228.db2.gz HNRHBAOBXWKPOB-JQWIXIFHSA-N 2 1 386.265 2.319 20 0 GEADMP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(CC[S@](=O)C(F)(F)F)C2)ccn1 ZINC000931094215 654729406 /nfs/dbraw/zinc/72/94/06/654729406.db2.gz OZIDYOJRRZPINO-MQNRADLISA-N 2 1 379.448 2.255 20 0 GEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3cc(F)cc(Br)c3)C[C@@H]2C1 ZINC000931435297 654742265 /nfs/dbraw/zinc/74/22/65/654742265.db2.gz BHUKGCOUBAZYSF-DVOMOZLQSA-N 2 1 387.293 2.211 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C[C@@H]2C1 ZINC000931435297 654742267 /nfs/dbraw/zinc/74/22/67/654742267.db2.gz BHUKGCOUBAZYSF-DVOMOZLQSA-N 2 1 387.293 2.211 20 0 GEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C[C@@H]2C1 ZINC000931435297 654742270 /nfs/dbraw/zinc/74/22/70/654742270.db2.gz BHUKGCOUBAZYSF-DVOMOZLQSA-N 2 1 387.293 2.211 20 0 GEADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000931484465 654743576 /nfs/dbraw/zinc/74/35/76/654743576.db2.gz SGVLVASXIZMXMM-UHFFFAOYSA-N 2 1 388.339 2.041 20 0 GEADMP c1ccc(C[N@H+]2CCc3nc(N4CCO[C@H]5C[NH2+]CC[C@@H]5C4)ccc3C2)cc1 ZINC001164402649 718862026 /nfs/dbraw/zinc/86/20/26/718862026.db2.gz KESYTGDUIBTBNA-IRLDBZIGSA-N 2 1 378.520 2.455 20 0 GEADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2c1C ZINC000301674373 719441603 /nfs/dbraw/zinc/44/16/03/719441603.db2.gz RPISOJQSQUQREL-CVEARBPZSA-N 2 1 387.553 2.423 20 0 GEADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2c1C ZINC000301674373 719441609 /nfs/dbraw/zinc/44/16/09/719441609.db2.gz RPISOJQSQUQREL-CVEARBPZSA-N 2 1 387.553 2.423 20 0 GEADMP CCOC(=O)/C=C/c1cccnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685022 719605724 /nfs/dbraw/zinc/60/57/24/719605724.db2.gz QEGGNWUFIBSSMC-CMDGGOBGSA-N 2 1 383.496 2.330 20 0 GEADMP CCOC(=O)/C=C/c1cccnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685022 719605734 /nfs/dbraw/zinc/60/57/34/719605734.db2.gz QEGGNWUFIBSSMC-CMDGGOBGSA-N 2 1 383.496 2.330 20 0 GEADMP CCOC(=O)c1cnc2cc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)[nH]cc1-2 ZINC001164679450 719635610 /nfs/dbraw/zinc/63/56/10/719635610.db2.gz AVLNWUSXIMHSMC-UHFFFAOYSA-N 2 1 396.495 2.411 20 0 GEADMP CCOC(=O)c1cnc2cc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)[nH]cc1-2 ZINC001164679450 719635621 /nfs/dbraw/zinc/63/56/21/719635621.db2.gz AVLNWUSXIMHSMC-UHFFFAOYSA-N 2 1 396.495 2.411 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH]1 ZINC001164818644 720308235 /nfs/dbraw/zinc/30/82/35/720308235.db2.gz AXKNNQBBMMNTCD-MSOLQXFVSA-N 2 1 382.512 2.178 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH]1 ZINC001164818645 720308697 /nfs/dbraw/zinc/30/86/97/720308697.db2.gz AXKNNQBBMMNTCD-QZTJIDSGSA-N 2 1 382.512 2.178 20 0 GEADMP Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C1C[NH2+]C1 ZINC001164842667 720652448 /nfs/dbraw/zinc/65/24/48/720652448.db2.gz SZYLVKIESDQQME-YZGWKJHDSA-N 2 1 395.555 2.046 20 0 GEADMP Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C1C[NH2+]C1 ZINC001164842663 720652943 /nfs/dbraw/zinc/65/29/43/720652943.db2.gz SZYLVKIESDQQME-MISYRCLQSA-N 2 1 395.555 2.046 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH]1 ZINC001164737417 720821646 /nfs/dbraw/zinc/82/16/46/720821646.db2.gz AYPLANNFUQQVJL-ZIFCJYIRSA-N 2 1 392.511 2.237 20 0 GEADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH]1 ZINC001164737417 720821648 /nfs/dbraw/zinc/82/16/48/720821648.db2.gz AYPLANNFUQQVJL-ZIFCJYIRSA-N 2 1 392.511 2.237 20 0 GEADMP C[N@H+](Cc1ccc(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1)C1CC1 ZINC001164864100 721034022 /nfs/dbraw/zinc/03/40/22/721034022.db2.gz XRUUMBDCNXJLLQ-UHFFFAOYSA-N 2 1 377.496 2.180 20 0 GEADMP C[N@@H+](Cc1ccc(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1)C1CC1 ZINC001164864100 721034026 /nfs/dbraw/zinc/03/40/26/721034026.db2.gz XRUUMBDCNXJLLQ-UHFFFAOYSA-N 2 1 377.496 2.180 20 0 GEADMP Clc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164880440 721129414 /nfs/dbraw/zinc/12/94/14/721129414.db2.gz WRKGDLYXWSWXFO-IRXDYDNUSA-N 2 1 399.926 2.255 20 0 GEADMP c1cn(-c2cc[nH+]c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)cn1 ZINC001164877591 721170194 /nfs/dbraw/zinc/17/01/94/721170194.db2.gz OWYOKHDGDNHUPC-VQTJNVASSA-N 2 1 376.464 2.142 20 0 GEADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(N5CCCC5)cc[nH+]4)C3)O2)CC1 ZINC001164885615 721423706 /nfs/dbraw/zinc/42/37/06/721423706.db2.gz GTPOBSZWMZGCKU-GGAORHGYSA-N 2 1 399.583 2.447 20 0 GEADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164793931 721489950 /nfs/dbraw/zinc/48/99/50/721489950.db2.gz YEKPHHRULIBUQZ-UHFFFAOYSA-N 2 1 392.551 2.441 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CC[NH2+]CC4)C[C@@H]21 ZINC001165026898 721799546 /nfs/dbraw/zinc/79/95/46/721799546.db2.gz SCSBRVNTOLZMPE-RBDMOPTHSA-N 2 1 392.551 2.297 20 0 GEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4c(nn3)CC[NH2+]C4)C[C@H]21 ZINC001165029535 721818110 /nfs/dbraw/zinc/81/81/10/721818110.db2.gz ZOSVHQAPSCNJQU-OZOXKJRCSA-N 2 1 378.524 2.254 20 0 GEADMP C[NH+](C)CCOCc1ncn2c1CN(c1nc(N3CCCCC3)cc[nH+]1)CCC2 ZINC001165001534 722254763 /nfs/dbraw/zinc/25/47/63/722254763.db2.gz BCPHALVONCXRMR-UHFFFAOYSA-N 2 1 399.543 2.152 20 0 GEADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174713511 532073963 /nfs/dbraw/zinc/07/39/63/532073963.db2.gz QXJMSRQBLNSHHS-HNNXBMFYSA-N 2 1 397.361 2.345 20 0 GEADMP O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178955203 532218573 /nfs/dbraw/zinc/21/85/73/532218573.db2.gz WMEHWCUBSDTBGL-UHFFFAOYSA-N 2 1 392.352 2.299 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccsc1Cl ZINC000190243732 532355370 /nfs/dbraw/zinc/35/53/70/532355370.db2.gz RSTLLPPDVPDORJ-CYBMUJFWSA-N 2 1 386.949 2.215 20 0 GEADMP C[NH+]1CCC([NH+]2CCC(CCNc3ncncc3Br)CC2)CC1 ZINC000371977593 532364976 /nfs/dbraw/zinc/36/49/76/532364976.db2.gz FIOFTAOYDDRXGK-UHFFFAOYSA-N 2 1 382.350 2.847 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)c[nH]c1=O ZINC000621821122 532368145 /nfs/dbraw/zinc/36/81/45/532368145.db2.gz NQIMUXCSJBOPPL-AWEZNQCLSA-N 2 1 399.333 2.038 20 0 GEADMP Cn1ncc(Br)c1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000278503991 532382054 /nfs/dbraw/zinc/38/20/54/532382054.db2.gz NZWSOTDQWFQVEL-UHFFFAOYSA-N 2 1 393.329 2.429 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1(C)C ZINC000282499002 532472144 /nfs/dbraw/zinc/47/21/44/532472144.db2.gz WMLSOZXHPLZYLN-UHFFFAOYSA-N 2 1 398.345 2.336 20 0 GEADMP COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1Br ZINC000470012931 532518551 /nfs/dbraw/zinc/51/85/51/532518551.db2.gz UGPKWNDMCHFCTA-OAHLLOKOSA-N 2 1 396.329 2.102 20 0 GEADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000470257206 532524983 /nfs/dbraw/zinc/52/49/83/532524983.db2.gz JQYOLPOPJUNXFF-QAPCUYQASA-N 2 1 393.329 2.261 20 0 GEADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000470257206 532524992 /nfs/dbraw/zinc/52/49/92/532524992.db2.gz JQYOLPOPJUNXFF-QAPCUYQASA-N 2 1 393.329 2.261 20 0 GEADMP [NH3+]C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000655912816 532602235 /nfs/dbraw/zinc/60/22/35/532602235.db2.gz QCSAJBNMLKGNDQ-CQSZACIVSA-N 2 1 378.826 2.447 20 0 GEADMP [NH3+]C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000655912816 532602241 /nfs/dbraw/zinc/60/22/41/532602241.db2.gz QCSAJBNMLKGNDQ-CQSZACIVSA-N 2 1 378.826 2.447 20 0 GEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cn1 ZINC000263855357 532645496 /nfs/dbraw/zinc/64/54/96/532645496.db2.gz AOSRHLVYGYEDOQ-HNNXBMFYSA-N 2 1 383.334 2.332 20 0 GEADMP O=S(=O)(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Br)cc1 ZINC000320697306 532787012 /nfs/dbraw/zinc/78/70/12/532787012.db2.gz NTXMZXPLVUMYRJ-OKILXGFUSA-N 2 1 387.343 2.154 20 0 GEADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc(I)c1OC ZINC000414946395 532836377 /nfs/dbraw/zinc/83/63/77/532836377.db2.gz TXRGEEFSTHIWLI-GXFFZTMASA-N 2 1 390.265 2.396 20 0 GEADMP O=C1N[C@H]2C[N@H+](Cc3ccccc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415144139 532838387 /nfs/dbraw/zinc/83/83/87/532838387.db2.gz UOBUDACHEFPNOR-IRXDYDNUSA-N 2 1 393.329 2.169 20 0 GEADMP O=C1N[C@H]2C[N@@H+](Cc3ccccc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415144139 532838392 /nfs/dbraw/zinc/83/83/92/532838392.db2.gz UOBUDACHEFPNOR-IRXDYDNUSA-N 2 1 393.329 2.169 20 0 GEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289432055 532854823 /nfs/dbraw/zinc/85/48/23/532854823.db2.gz DWNBFDZCHJKKSS-INIZCTEOSA-N 2 1 381.318 2.423 20 0 GEADMP COc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(Br)c1 ZINC000289897159 532867180 /nfs/dbraw/zinc/86/71/80/532867180.db2.gz KAXGUUMSCFJKIT-UHFFFAOYSA-N 2 1 398.345 2.348 20 0 GEADMP CC1(C[NH+]2CCOCC2)CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000367655875 532926250 /nfs/dbraw/zinc/92/62/50/532926250.db2.gz DUEWKSRVEQVVDV-UHFFFAOYSA-N 2 1 385.961 2.452 20 0 GEADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736231788 599135353 /nfs/dbraw/zinc/13/53/53/599135353.db2.gz XTAUFILVROBSLC-OCCSQVGLSA-N 2 1 391.907 2.263 20 0 GEADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@H+]1C ZINC000736231788 599135355 /nfs/dbraw/zinc/13/53/55/599135355.db2.gz XTAUFILVROBSLC-OCCSQVGLSA-N 2 1 391.907 2.263 20 0 GEADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[NH+]1C ZINC000736231788 599135357 /nfs/dbraw/zinc/13/53/57/599135357.db2.gz XTAUFILVROBSLC-OCCSQVGLSA-N 2 1 391.907 2.263 20 0 GEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[NH+]1C ZINC000736231788 599135359 /nfs/dbraw/zinc/13/53/59/599135359.db2.gz XTAUFILVROBSLC-OCCSQVGLSA-N 2 1 391.907 2.263 20 0 GEADMP C[NH+](C)CCC1CC[NH+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000821584720 599566865 /nfs/dbraw/zinc/56/68/65/599566865.db2.gz PXOCTMKZPOMSIC-UHFFFAOYSA-N 2 1 382.472 2.080 20 0 GEADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737844925 599590072 /nfs/dbraw/zinc/59/00/72/599590072.db2.gz XBPOICRCJNIBKH-SFHVURJKSA-N 2 1 383.500 2.146 20 0 GEADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826410530 607750853 /nfs/dbraw/zinc/75/08/53/607750853.db2.gz PZYZLJGFLCYYII-UHFFFAOYSA-N 2 1 397.527 2.393 20 0 GEADMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000822324133 606859729 /nfs/dbraw/zinc/85/97/29/606859729.db2.gz WIFVWSQBOFXICV-CRAIPNDOSA-N 2 1 379.468 2.038 20 0 GEADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000822324133 606859730 /nfs/dbraw/zinc/85/97/30/606859730.db2.gz WIFVWSQBOFXICV-CRAIPNDOSA-N 2 1 379.468 2.038 20 0 GEADMP c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000823743058 607237099 /nfs/dbraw/zinc/23/70/99/607237099.db2.gz RRLWIFIRMPSEMZ-UHFFFAOYSA-N 2 1 383.544 2.250 20 0 GEADMP c1cc(OC2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)ncc1-c1nn[nH]n1 ZINC000826517567 608288463 /nfs/dbraw/zinc/28/84/63/608288463.db2.gz IEPHOQIYFKXCFS-QLOLRVAOSA-N 2 1 383.500 2.168 20 0 GEADMP c1cc(OC2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)ncc1-c1nn[nH]n1 ZINC000826517569 608288693 /nfs/dbraw/zinc/28/86/93/608288693.db2.gz IEPHOQIYFKXCFS-UMQBVGHOSA-N 2 1 383.500 2.168 20 0 GEADMP Cn1cc(C[NH2+]CCC[NH+]2CCCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361523 609336012 /nfs/dbraw/zinc/33/60/12/609336012.db2.gz AUFXZDHXNKQMMW-UHFFFAOYSA-N 2 1 380.500 2.233 20 0 GEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510927559 650521175 /nfs/dbraw/zinc/52/11/75/650521175.db2.gz IBYONMMWBXNQLZ-JMSVASOKSA-N 2 1 377.913 2.076 20 0 GEADMP C[C@@H](C[NH2+]Cc1ncc(Cl)cc1Br)CN1CC[NH+](C)CC1 ZINC000527650848 650681358 /nfs/dbraw/zinc/68/13/58/650681358.db2.gz AIVAJJYIEXHKQG-LBPRGKRZSA-N 2 1 375.742 2.471 20 0 GEADMP Brc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c2ncccc12 ZINC000261866067 645607241 /nfs/dbraw/zinc/60/72/41/645607241.db2.gz KTJUGGWCZDXXCR-HNNXBMFYSA-N 2 1 375.314 2.477 20 0 GEADMP C[C@@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC[NH2+]1 ZINC000332122485 647413997 /nfs/dbraw/zinc/41/39/97/647413997.db2.gz AIIRVTDKEJSQBR-KGLIPLIRSA-N 2 1 389.924 2.174 20 0 GEADMP C[NH+](C)CCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413884337 648081159 /nfs/dbraw/zinc/08/11/59/648081159.db2.gz RQLQXZWABIBSNJ-UHFFFAOYSA-N 2 1 383.334 2.274 20 0 GEADMP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000417897294 648265580 /nfs/dbraw/zinc/26/55/80/648265580.db2.gz XOKVXMDHMDUTHC-CQSZACIVSA-N 2 1 395.345 2.417 20 0 GEADMP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)CC[NH2+]CC1 ZINC000423134412 648583754 /nfs/dbraw/zinc/58/37/54/648583754.db2.gz RUJGHOGNHNKQPF-NWDGAFQWSA-N 2 1 385.306 2.211 20 0 GEADMP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)CC[NH2+]CC1 ZINC000423134414 648584077 /nfs/dbraw/zinc/58/40/77/648584077.db2.gz RUJGHOGNHNKQPF-VXGBXAGGSA-N 2 1 385.306 2.211 20 0 GEADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423329193 648589440 /nfs/dbraw/zinc/58/94/40/648589440.db2.gz FDGVLDSSFZJQAW-IAQYHMDHSA-N 2 1 390.347 2.137 20 0 GEADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423329195 648589624 /nfs/dbraw/zinc/58/96/24/648589624.db2.gz FDGVLDSSFZJQAW-XHDPSFHLSA-N 2 1 390.347 2.137 20 0 GEADMP C[NH+](C)Cc1ccc(NC(=O)c2cn(CCCC[NH3+])nn2)cc1Br ZINC000423806367 648601932 /nfs/dbraw/zinc/60/19/32/648601932.db2.gz IDFWTUKUKHSQKU-UHFFFAOYSA-N 2 1 395.305 2.093 20 0 GEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442887921 648851452 /nfs/dbraw/zinc/85/14/52/648851452.db2.gz CAYQBHFXJIVDBS-XUJVJEKNSA-N 2 1 377.913 2.076 20 0 GEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442887920 648851657 /nfs/dbraw/zinc/85/16/57/648851657.db2.gz CAYQBHFXJIVDBS-TYNCELHUSA-N 2 1 377.913 2.076 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@H]2CCC[C@H]21 ZINC000556913846 651257039 /nfs/dbraw/zinc/25/70/39/651257039.db2.gz WNBNYZOAQJJQMN-VVLHAWIVSA-N 2 1 383.583 2.221 20 0 GEADMP COc1cc(Br)c(CN(C)CCC[N@@H+](C)CCN(C)C)cc1O ZINC000561986091 651485910 /nfs/dbraw/zinc/48/59/10/651485910.db2.gz NWAKYORQUDHYRX-UHFFFAOYSA-N 2 1 388.350 2.479 20 0 GEADMP CN(CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)S(=O)(=O)c1cccs1 ZINC000643475110 651488774 /nfs/dbraw/zinc/48/87/74/651488774.db2.gz CELYYNUEFXUWFD-IRXDYDNUSA-N 2 1 379.551 2.452 20 0 GEADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C3)cs1 ZINC000563154289 651513289 /nfs/dbraw/zinc/51/32/89/651513289.db2.gz VWSXGANITOALEF-UHFFFAOYSA-N 2 1 376.551 2.360 20 0 GEADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000563584206 651534307 /nfs/dbraw/zinc/53/43/07/651534307.db2.gz LKAWIHVODGDYHK-FVQHAEBGSA-N 2 1 383.323 2.475 20 0 GEADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1(C)C ZINC000644639565 651560425 /nfs/dbraw/zinc/56/04/25/651560425.db2.gz FWLRBAITVLEFNY-OAHLLOKOSA-N 2 1 390.355 2.349 20 0 GEADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000568057287 651648405 /nfs/dbraw/zinc/64/84/05/651648405.db2.gz ZUJCKRDSJGXDMO-UHFFFAOYSA-N 2 1 387.265 2.291 20 0 GEADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)COc1cc(Cl)ccc1Cl ZINC000647517787 651749575 /nfs/dbraw/zinc/74/95/75/651749575.db2.gz CZKQOSIGWINZBO-HUUCEWRRSA-N 2 1 377.312 2.170 20 0 GEADMP COc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(Br)c1O ZINC000571326365 651826231 /nfs/dbraw/zinc/82/62/31/651826231.db2.gz DOQQWKMVIYOVKR-DYVFJYSZSA-N 2 1 385.302 2.492 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000617508214 651955871 /nfs/dbraw/zinc/95/58/71/651955871.db2.gz YGSBPUUYCWYEGR-LBPRGKRZSA-N 2 1 396.333 2.327 20 0 GEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000617508214 651955879 /nfs/dbraw/zinc/95/58/79/651955879.db2.gz YGSBPUUYCWYEGR-LBPRGKRZSA-N 2 1 396.333 2.327 20 0 GEADMP Cn1ncc(Br)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597254 652177535 /nfs/dbraw/zinc/17/75/35/652177535.db2.gz RHISBAUNILMLKS-HNNXBMFYSA-N 2 1 379.302 2.039 20 0 GEADMP Cn1ncc(Br)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657597254 652177554 /nfs/dbraw/zinc/17/75/54/652177554.db2.gz RHISBAUNILMLKS-HNNXBMFYSA-N 2 1 379.302 2.039 20 0 GEADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)[C@H]2CCC[C@@H]21 ZINC000658095265 652236568 /nfs/dbraw/zinc/23/65/68/652236568.db2.gz FUFZJVISHZQDRA-YCPHGPKFSA-N 2 1 381.318 2.036 20 0 GEADMP O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000581243307 652407523 /nfs/dbraw/zinc/40/75/23/652407523.db2.gz YWZPSCBCONVLJT-ZDUSSCGKSA-N 2 1 392.352 2.299 20 0 GEADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)Nc1cccc(Br)c1 ZINC000662153224 652449068 /nfs/dbraw/zinc/44/90/68/652449068.db2.gz PSPKPMFQAHPGQM-QGZVFWFLSA-N 2 1 396.329 2.309 20 0 GEADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)Nc1cccc(Br)c1 ZINC000662153224 652449071 /nfs/dbraw/zinc/44/90/71/652449071.db2.gz PSPKPMFQAHPGQM-QGZVFWFLSA-N 2 1 396.329 2.309 20 0 GEADMP [NH3+][C@@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Br ZINC000662467188 652463088 /nfs/dbraw/zinc/46/30/88/652463088.db2.gz QYCHTLQKKARMHO-CXAGYDPISA-N 2 1 396.329 2.066 20 0 GEADMP C[NH2+][C@@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Cl)c1Cl ZINC000662570317 652468362 /nfs/dbraw/zinc/46/83/62/652468362.db2.gz JWEWTKSSDXFZJC-MLGOLLRUSA-N 2 1 386.323 2.468 20 0 GEADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1ccc(Br)cc1 ZINC000663363343 652495209 /nfs/dbraw/zinc/49/52/09/652495209.db2.gz JTDJVMAGNJFMAS-DLBZAZTESA-N 2 1 399.329 2.032 20 0 GEADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1cc(Cl)cc(Cl)c1 ZINC000634719467 652658812 /nfs/dbraw/zinc/65/88/12/652658812.db2.gz UGBTVHLSHZXVOQ-INIZCTEOSA-N 2 1 377.312 2.170 20 0 GEADMP Cn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(Br)n1 ZINC000858187975 653353714 /nfs/dbraw/zinc/35/37/14/653353714.db2.gz NVVBPMIQDDPOLL-INIZCTEOSA-N 2 1 379.302 2.039 20 0 GEADMP Cn1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(Br)n1 ZINC000858187975 653353723 /nfs/dbraw/zinc/35/37/23/653353723.db2.gz NVVBPMIQDDPOLL-INIZCTEOSA-N 2 1 379.302 2.039 20 0 GEADMP O[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cc(Br)no1 ZINC000878154929 653630309 /nfs/dbraw/zinc/63/03/09/653630309.db2.gz IBYMZDRWZDMWLL-AWEZNQCLSA-N 2 1 388.306 2.047 20 0 GEADMP COc1ncc(Br)cc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000865451775 653765705 /nfs/dbraw/zinc/76/57/05/653765705.db2.gz ZQZDNZITNBSVSM-UHFFFAOYSA-N 2 1 385.350 2.216 20 0 GEADMP C[C@](O)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1Cl ZINC000843063222 653778587 /nfs/dbraw/zinc/77/85/87/653778587.db2.gz XSWNIWBAZJAAAO-BBRMVZONSA-N 2 1 391.737 2.356 20 0 GEADMP C[N@@H+](CC(=O)Nc1ccc(I)cc1)C1CCC([NH3+])CC1 ZINC000843352175 653785588 /nfs/dbraw/zinc/78/55/88/653785588.db2.gz BJBPZMHQQSDKGL-UHFFFAOYSA-N 2 1 387.265 2.431 20 0 GEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847381340 653926530 /nfs/dbraw/zinc/92/65/30/653926530.db2.gz KDFZILIFBPALIG-UHFFFAOYSA-N 2 1 394.248 2.382 20 0 GEADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1cccc(Cl)c1Cl ZINC000849064689 654003632 /nfs/dbraw/zinc/00/36/32/654003632.db2.gz ZOAPPVFTAWDGKS-UHFFFAOYSA-N 2 1 375.300 2.208 20 0 GEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000849064002 654003636 /nfs/dbraw/zinc/00/36/36/654003636.db2.gz SPNMTGRPYSQWMD-OLZOCXBDSA-N 2 1 389.327 2.331 20 0 GEADMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1ccc(Br)cc1 ZINC000849092964 654003936 /nfs/dbraw/zinc/00/39/36/654003936.db2.gz DCMCLGUQOSNZJP-CQSZACIVSA-N 2 1 399.333 2.053 20 0 GEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](CO)Cc1ccccc1Br ZINC000849104426 654004271 /nfs/dbraw/zinc/00/42/71/654004271.db2.gz POHLEGSJKVRWOL-HOCLYGCPSA-N 2 1 397.361 2.198 20 0 GEADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000853115610 654279727 /nfs/dbraw/zinc/27/97/27/654279727.db2.gz LHPGRJQTOREWLT-RHSMWYFYSA-N 2 1 387.293 2.465 20 0 GEADMP Cc1cc2c(cc1Br)C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000904432905 654310404 /nfs/dbraw/zinc/31/04/04/654310404.db2.gz ITFGROJVSJMLNA-CQSZACIVSA-N 2 1 380.330 2.313 20 0 GEADMP C[NH+]1CCC(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000891870670 654316153 /nfs/dbraw/zinc/31/61/53/654316153.db2.gz VLQFKQHJAQBBGZ-UHFFFAOYSA-N 2 1 391.990 2.440 20 0 GEADMP C[NH+]1CCC(C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000891870670 654316160 /nfs/dbraw/zinc/31/61/60/654316160.db2.gz VLQFKQHJAQBBGZ-UHFFFAOYSA-N 2 1 391.990 2.440 20 0 GEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000855346419 654414300 /nfs/dbraw/zinc/41/43/00/654414300.db2.gz BAMXOSYMNRWFPT-SUMWQHHRSA-N 2 1 398.345 2.141 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923297306 654442103 /nfs/dbraw/zinc/44/21/03/654442103.db2.gz HBTOCLNHHNHTRA-CQSZACIVSA-N 2 1 382.302 2.006 20 0 GEADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923297306 654442108 /nfs/dbraw/zinc/44/21/08/654442108.db2.gz HBTOCLNHHNHTRA-CQSZACIVSA-N 2 1 382.302 2.006 20 0 GEADMP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(I)cc2)CC[C@H]1C[NH3+] ZINC000923506002 654457582 /nfs/dbraw/zinc/45/75/82/654457582.db2.gz DUZULQDYDUODLG-RYUDHWBXSA-N 2 1 387.265 2.146 20 0 GEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(I)cc2)CC[C@@H]1C[NH3+] ZINC000923506004 654457718 /nfs/dbraw/zinc/45/77/18/654457718.db2.gz DUZULQDYDUODLG-VXGBXAGGSA-N 2 1 387.265 2.146 20 0 GEADMP C[N@@H+]1CCCN(CCC[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000894378965 654471313 /nfs/dbraw/zinc/47/13/13/654471313.db2.gz ZOLHCUKPPHVCRE-UHFFFAOYSA-N 2 1 380.334 2.214 20 0 GEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000894378965 654471314 /nfs/dbraw/zinc/47/13/14/654471314.db2.gz ZOLHCUKPPHVCRE-UHFFFAOYSA-N 2 1 380.334 2.214 20 0 GEADMP Cn1ncc(I)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000894779344 654498537 /nfs/dbraw/zinc/49/85/37/654498537.db2.gz GQBJFPONDJDVGC-CYBMUJFWSA-N 2 1 388.297 2.188 20 0 GEADMP Cn1ncc(I)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000894779344 654498539 /nfs/dbraw/zinc/49/85/39/654498539.db2.gz GQBJFPONDJDVGC-CYBMUJFWSA-N 2 1 388.297 2.188 20 0 GEADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1(Br)CC1 ZINC000924678728 654522343 /nfs/dbraw/zinc/52/23/43/654522343.db2.gz GTCDGNLJYBCGKB-AWEZNQCLSA-N 2 1 380.330 2.480 20 0 GEADMP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925152806 654535560 /nfs/dbraw/zinc/53/55/60/654535560.db2.gz JGKOGDULBBZNFW-SJORKVTESA-N 2 1 382.599 2.401 20 0 GEADMP COc1ccc(C[C@H](CO)C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1Br ZINC000925687674 654547659 /nfs/dbraw/zinc/54/76/59/654547659.db2.gz LXIUOWXMJBHMEB-ALDWCOMMSA-N 2 1 395.341 2.195 20 0 GEADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925688370 654547967 /nfs/dbraw/zinc/54/79/67/654547967.db2.gz OTFMOGQJECESLJ-IZNWUZAOSA-N 2 1 395.341 2.195 20 0 GEADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925688371 654548100 /nfs/dbraw/zinc/54/81/00/654548100.db2.gz OTFMOGQJECESLJ-YSCHTCBPSA-N 2 1 395.341 2.195 20 0 GEADMP Brc1cnn(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000927004493 654589334 /nfs/dbraw/zinc/58/93/34/654589334.db2.gz FZDUQGORCUTWNL-MRXNPFEDSA-N 2 1 383.334 2.368 20 0 GEADMP CC[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])c2cc(Br)ccc2OC)CC1 ZINC000911863845 654734600 /nfs/dbraw/zinc/73/46/00/654734600.db2.gz JFHMAXUYWWGKBK-INIZCTEOSA-N 2 1 384.318 2.306 20 0 GEADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000932207504 654770082 /nfs/dbraw/zinc/77/00/82/654770082.db2.gz KOIZECNQDZJTQR-INIZCTEOSA-N 2 1 396.329 2.463 20 0 GEADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000913159792 654785569 /nfs/dbraw/zinc/78/55/69/654785569.db2.gz QRYJMRABYSTQNY-KRWDZBQOSA-N 2 1 387.355 2.206 20 0 GEADMP