smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]Cc2ccccc2C)cc1OC ZINC000011842257 204357355 /nfs/dbraw/zinc/35/73/55/204357355.db2.gz NPOGJIXQUWVPIG-NRFANRHFSA-N 2 0 386.536 3.375 10 0 GGAERP C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](CC2=CC[C@H]4C[C@@H]2C4(C)C)CC3)CC1 ZINC000012154920 204376612 /nfs/dbraw/zinc/37/66/12/204376612.db2.gz YLQFJIKUFTUGAG-PCCBWWKXSA-N 2 0 385.596 3.245 10 0 GGAERP COc1ccc2cc(CNC(=O)N(CC[NH+](C)C)C3CC[NH+](C)CC3)ccc2c1 ZINC000040149943 205057743 /nfs/dbraw/zinc/05/77/43/205057743.db2.gz JVIZBPYAMONBRZ-UHFFFAOYSA-N 2 0 398.551 3.016 10 0 GGAERP CC(C)n1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c2ccccc21 ZINC000039442982 205042612 /nfs/dbraw/zinc/04/26/12/205042612.db2.gz PVTDDJFDXCTTHR-JOCHJYFZSA-N 2 0 398.595 3.185 10 0 GGAERP COc1cc(C[NH2+][C@@H](C)Cn2nc(C)cc2C)ccc1OCC[NH+]1CCCC1 ZINC000055091191 205141007 /nfs/dbraw/zinc/14/10/07/205141007.db2.gz FAGHWOKLSYBLFB-SFHVURJKSA-N 2 0 386.540 3.161 10 0 GGAERP COc1cc(C[NH2+][C@H](C)Cn2nc(C)cc2C)ccc1OCC[NH+]1CCCC1 ZINC000055091187 205141519 /nfs/dbraw/zinc/14/15/19/205141519.db2.gz FAGHWOKLSYBLFB-GOSISDBHSA-N 2 0 386.540 3.161 10 0 GGAERP c1[nH]c2ccccc2c1-c1nc2c(c(N3CCC([NH+]4CCCC4)CC3)n1)C[NH2+]C2 ZINC000072167382 136167326 /nfs/dbraw/zinc/16/73/26/136167326.db2.gz PIESAQWZRBSGBR-UHFFFAOYSA-N 2 0 388.519 3.293 10 0 GGAERP CCc1cc(N2CCC([N@H+](C)Cc3ccccn3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095528885 536144658 /nfs/dbraw/zinc/14/46/58/536144658.db2.gz XIYUZMUFDQEDNH-UHFFFAOYSA-N 2 0 380.540 3.135 10 0 GGAERP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000056522995 564650026 /nfs/dbraw/zinc/65/00/26/564650026.db2.gz HIISOFDUKSDJEI-OAHLLOKOSA-N 2 0 375.340 3.397 10 0 GGAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000155081832 565061527 /nfs/dbraw/zinc/06/15/27/565061527.db2.gz YXILIQRQXQCYTD-INIZCTEOSA-N 2 0 387.355 3.116 10 0 GGAERP Cc1[nH+]c2ccc(Br)cc2c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1C ZINC000301687362 565504874 /nfs/dbraw/zinc/50/48/74/565504874.db2.gz XHUVYFQNNIASBI-SJORKVTESA-N 2 0 376.298 3.133 10 0 GGAERP Cc1[nH+]c2ccc(Br)cc2c(N2CC[N@H+](CCO)[C@@H](C)C2)c1C ZINC000302443737 565542586 /nfs/dbraw/zinc/54/25/86/565542586.db2.gz QZKYJRQRSOJKGY-LBPRGKRZSA-N 2 0 378.314 3.117 10 0 GGAERP Cn1ncc(Br)c1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397563142 565576026 /nfs/dbraw/zinc/57/60/26/565576026.db2.gz ZDARKSBBTFDJJV-UHFFFAOYSA-N 2 0 377.330 3.184 10 0 GGAERP Brc1cc2c(cc1CN1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000321128701 565604352 /nfs/dbraw/zinc/60/43/52/565604352.db2.gz FKMVFXNPEMQSTJ-BBRMVZONSA-N 2 0 381.314 3.184 10 0 GGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178032901 565891092 /nfs/dbraw/zinc/89/10/92/565891092.db2.gz DZWVWQSMUICMJD-MAUKXSAKSA-N 2 0 396.373 3.278 10 0 GGAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000414074317 565892408 /nfs/dbraw/zinc/89/24/08/565892408.db2.gz OALXWNVEKOFHJO-JKSUJKDBSA-N 2 0 384.362 3.244 10 0 GGAERP C[C@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000178689336 565933410 /nfs/dbraw/zinc/93/34/10/565933410.db2.gz ZUOMOQSRDBIZSV-QAPCUYQASA-N 2 0 396.373 3.136 10 0 GGAERP C[NH+](CCOCC[N@@H+](C)Cc1ccc(Cl)nc1)Cc1ccc(Cl)nc1 ZINC000178710331 565934064 /nfs/dbraw/zinc/93/40/64/565934064.db2.gz PWXAITKAPVVYED-UHFFFAOYSA-N 2 0 383.323 3.364 10 0 GGAERP COc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc(Br)c1OC(F)F ZINC000414826843 565963012 /nfs/dbraw/zinc/96/30/12/565963012.db2.gz GHVFLKIQWWGXHX-SNVBAGLBSA-N 2 0 379.245 3.148 10 0 GGAERP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060370 565971947 /nfs/dbraw/zinc/97/19/47/565971947.db2.gz WNABASSLPGKDGS-MNNVXMFVSA-N 2 0 380.374 3.186 10 0 GGAERP COc1sc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1Br ZINC000179515786 565986769 /nfs/dbraw/zinc/98/67/69/565986769.db2.gz GCICOSASYXKXLU-GFCCVEGCSA-N 2 0 391.375 3.044 10 0 GGAERP C[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000181702977 566159357 /nfs/dbraw/zinc/15/93/57/566159357.db2.gz SUAPOYCTEKDWAA-ZIAGYGMSSA-N 2 0 380.330 3.482 10 0 GGAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418707461 566220418 /nfs/dbraw/zinc/22/04/18/566220418.db2.gz TWZCOIDBAFZBIB-KBPBESRZSA-N 2 0 387.355 3.337 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000420381827 566275459 /nfs/dbraw/zinc/27/54/59/566275459.db2.gz CTFLKXBYRMIMSL-PBHICJAKSA-N 2 0 380.330 3.242 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420395589 566275911 /nfs/dbraw/zinc/27/59/11/566275911.db2.gz LKCNFCKQLQWJPT-SUMWQHHRSA-N 2 0 398.320 3.381 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000420381834 566276753 /nfs/dbraw/zinc/27/67/53/566276753.db2.gz CTFLKXBYRMIMSL-YOEHRIQHSA-N 2 0 380.330 3.242 10 0 GGAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000648416139 566280584 /nfs/dbraw/zinc/28/05/84/566280584.db2.gz VNPNHGSABCABHQ-MRXNPFEDSA-N 2 0 384.337 3.191 10 0 GGAERP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4c3ccc(F)c4Br)C2)CC1 ZINC000648450628 566286910 /nfs/dbraw/zinc/28/69/10/566286910.db2.gz XFRSMNURBSDZRE-ACJLOTCBSA-N 2 0 396.348 3.334 10 0 GGAERP COCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccccc1I ZINC000482241771 566295712 /nfs/dbraw/zinc/29/57/12/566295712.db2.gz JFVGFAURTGPOAA-KBPBESRZSA-N 2 0 388.293 3.053 10 0 GGAERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000577054806 566401136 /nfs/dbraw/zinc/40/11/36/566401136.db2.gz DTWWUQMDGKXXIE-BCLQGDPASA-N 2 0 375.340 3.443 10 0 GGAERP CC(C)[NH2+]CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627071163 566462359 /nfs/dbraw/zinc/46/23/59/566462359.db2.gz LAYZQOHHCRUUKW-INIZCTEOSA-N 2 0 375.344 3.283 10 0 GGAERP C[C@@H](CCCC[NH3+])NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627093261 566464791 /nfs/dbraw/zinc/46/47/91/566464791.db2.gz LBWPDKFODKXZBV-BLLLJJGKSA-N 2 0 375.344 3.413 10 0 GGAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873978 566464959 /nfs/dbraw/zinc/46/49/59/566464959.db2.gz MVDGZKGYRYIAPL-NJZAAPMLSA-N 2 0 376.854 3.440 10 0 GGAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873976 566465349 /nfs/dbraw/zinc/46/53/49/566465349.db2.gz MVDGZKGYRYIAPL-CORIIIEPSA-N 2 0 376.854 3.440 10 0 GGAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000422934980 566466363 /nfs/dbraw/zinc/46/63/63/566466363.db2.gz GWUSUTUFPZMWEB-CABCVRRESA-N 2 0 397.357 3.291 10 0 GGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000422932181 566467402 /nfs/dbraw/zinc/46/74/02/566467402.db2.gz DXXMZEORFDOFIV-NSHDSACASA-N 2 0 392.297 3.233 10 0 GGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000422934985 566467481 /nfs/dbraw/zinc/46/74/81/566467481.db2.gz GWUSUTUFPZMWEB-LSDHHAIUSA-N 2 0 397.357 3.291 10 0 GGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](CCO)c1ccccc1Br ZINC000423026156 566468570 /nfs/dbraw/zinc/46/85/70/566468570.db2.gz ARZPODZQAPBEDE-ACJLOTCBSA-N 2 0 378.314 3.386 10 0 GGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](CCO)c1ccccc1Br ZINC000423026157 566469769 /nfs/dbraw/zinc/46/97/69/566469769.db2.gz ARZPODZQAPBEDE-FZKQIMNGSA-N 2 0 378.314 3.386 10 0 GGAERP COc1c(Br)cc(Br)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712041 566472413 /nfs/dbraw/zinc/47/24/13/566472413.db2.gz OBPBSYPAPDJOSM-UHFFFAOYSA-N 2 0 392.135 3.439 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627220061 566472839 /nfs/dbraw/zinc/47/28/39/566472839.db2.gz KILMHVSVIMXBQS-WMLDXEAASA-N 2 0 385.339 3.132 10 0 GGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc3c(cc2Br)OCO3)C1 ZINC000650722098 566473293 /nfs/dbraw/zinc/47/32/93/566473293.db2.gz KSDXIHYFBPCVSE-BMFZPTHFSA-N 2 0 397.313 3.039 10 0 GGAERP COc1ccc(Br)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650721828 566473335 /nfs/dbraw/zinc/47/33/35/566473335.db2.gz CJJLYHTWZVYDPH-LZLYRXPVSA-N 2 0 383.330 3.319 10 0 GGAERP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000650722562 566474106 /nfs/dbraw/zinc/47/41/06/566474106.db2.gz WOFOVEVWFAENRA-KYJSFNMBSA-N 2 0 383.330 3.319 10 0 GGAERP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000650722563 566474127 /nfs/dbraw/zinc/47/41/27/566474127.db2.gz WOFOVEVWFAENRA-LESCRADOSA-N 2 0 383.330 3.319 10 0 GGAERP COc1c(Br)cccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723353 566474376 /nfs/dbraw/zinc/47/43/76/566474376.db2.gz MHMNJWPCWKOCRH-DJIMGWMZSA-N 2 0 383.330 3.319 10 0 GGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)cc3c2OCC3)C1 ZINC000650723018 566474446 /nfs/dbraw/zinc/47/44/46/566474446.db2.gz GHPRSYSNNNDSDP-SQNIBIBYSA-N 2 0 395.341 3.245 10 0 GGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)cc3c2OCC3)C1 ZINC000650723016 566474478 /nfs/dbraw/zinc/47/44/78/566474478.db2.gz GHPRSYSNNNDSDP-KURKYZTESA-N 2 0 395.341 3.245 10 0 GGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1 ZINC000423102955 566474781 /nfs/dbraw/zinc/47/47/81/566474781.db2.gz FRFYTCBIEJVPLU-ZWKOTPCHSA-N 2 0 398.389 3.378 10 0 GGAERP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000423133475 566477364 /nfs/dbraw/zinc/47/73/64/566477364.db2.gz KRVFWUPZZRGSLV-ZDUSSCGKSA-N 2 0 375.738 3.478 10 0 GGAERP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423165853 566480628 /nfs/dbraw/zinc/48/06/28/566480628.db2.gz BJSVVUDLACDDKG-LBPRGKRZSA-N 2 0 381.929 3.147 10 0 GGAERP Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCN1CC[NH2+]CC1 ZINC000423177456 566480773 /nfs/dbraw/zinc/48/07/73/566480773.db2.gz DZJDVQJLLLJMAH-SFHVURJKSA-N 2 0 391.357 3.193 10 0 GGAERP Brc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000423505209 566489774 /nfs/dbraw/zinc/48/97/74/566489774.db2.gz GRRVTZPHOUJHKS-FAFZWHIHSA-N 2 0 378.358 3.242 10 0 GGAERP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423507951 566490287 /nfs/dbraw/zinc/49/02/87/566490287.db2.gz KFLSCJXSUJZUAC-JRSKDTKFSA-N 2 0 396.348 3.382 10 0 GGAERP COc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(Br)c1 ZINC000423506395 566490568 /nfs/dbraw/zinc/49/05/68/566490568.db2.gz IQNLSZSVRXWSCB-QQFBHYJXSA-N 2 0 396.373 3.325 10 0 GGAERP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)cc1F ZINC000423509789 566491039 /nfs/dbraw/zinc/49/10/39/566491039.db2.gz MRWMNSYCUBQHGC-JEYLPNPQSA-N 2 0 384.337 3.455 10 0 GGAERP Brc1cc2c(s1)CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423517257 566492765 /nfs/dbraw/zinc/49/27/65/566492765.db2.gz XPYLBMSYCHXYQL-SSDMNJCBSA-N 2 0 384.387 3.304 10 0 GGAERP Brc1cccc2c1C[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000423516753 566492842 /nfs/dbraw/zinc/49/28/42/566492842.db2.gz XJLKIEZFHXEWSI-ADKAHSJRSA-N 2 0 392.385 3.112 10 0 GGAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449150493 566533159 /nfs/dbraw/zinc/53/31/59/566533159.db2.gz RLGROFQLSZKZLJ-CXAGYDPISA-N 2 0 385.321 3.402 10 0 GGAERP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000539644666 566595441 /nfs/dbraw/zinc/59/54/41/566595441.db2.gz CENYFQSCMQRMIH-PBHICJAKSA-N 2 0 384.362 3.192 10 0 GGAERP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000579344171 566601066 /nfs/dbraw/zinc/60/10/66/566601066.db2.gz VEOGPUQFUDINDK-GJZGRUSLSA-N 2 0 375.340 3.301 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000628969844 566602555 /nfs/dbraw/zinc/60/25/55/566602555.db2.gz ZNEPRKYFVZPFQN-XJKSGUPXSA-N 2 0 390.380 3.150 10 0 GGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc(Br)cc2)C1 ZINC000652360195 566605434 /nfs/dbraw/zinc/60/54/34/566605434.db2.gz CLPHRPCBHHNLBD-NJAFHUGGSA-N 2 0 383.330 3.189 10 0 GGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOc2ccccc2Br)C1 ZINC000652364012 566605900 /nfs/dbraw/zinc/60/59/00/566605900.db2.gz VCNHZXABEWIWIE-HFTRVMKXSA-N 2 0 383.330 3.189 10 0 GGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000560255266 566611672 /nfs/dbraw/zinc/61/16/72/566611672.db2.gz LVRIYELCXJFTKB-UHFFFAOYSA-N 2 0 383.330 3.447 10 0 GGAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300123 566642215 /nfs/dbraw/zinc/64/22/15/566642215.db2.gz YYTWWNIFZRWQII-WMZOPIPTSA-N 2 0 394.357 3.077 10 0 GGAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000675742221 566662837 /nfs/dbraw/zinc/66/28/37/566662837.db2.gz LWRNCZIATDMICT-KRWDZBQOSA-N 2 0 396.373 3.278 10 0 GGAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000629529025 566663640 /nfs/dbraw/zinc/66/36/40/566663640.db2.gz PMHQHBMCSXLWKK-SNVBAGLBSA-N 2 0 380.124 3.098 10 0 GGAERP C[NH2+]CCOCC[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000629529019 566663929 /nfs/dbraw/zinc/66/39/29/566663929.db2.gz PJRWGZXKXWAQHG-AWEZNQCLSA-N 2 0 381.314 3.195 10 0 GGAERP Brc1ccc(S[C@H]2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000629547211 566664772 /nfs/dbraw/zinc/66/47/72/566664772.db2.gz FIZXSXSBCFUQOB-ZBFHGGJFSA-N 2 0 383.355 3.137 10 0 GGAERP COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629558180 566666335 /nfs/dbraw/zinc/66/63/35/566666335.db2.gz CJVOWLHEWQRJNM-HOCLYGCPSA-N 2 0 381.314 3.116 10 0 GGAERP C[NH2+]CCOCC[N@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000629572498 566666980 /nfs/dbraw/zinc/66/69/80/566666980.db2.gz UZQWTKAIPJUQAQ-UHFFFAOYSA-N 2 0 378.929 3.384 10 0 GGAERP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2ccc(Br)cc2F)CC1 ZINC000468561977 566710468 /nfs/dbraw/zinc/71/04/68/566710468.db2.gz XTGGKJKBAZNAEN-AWEZNQCLSA-N 2 0 387.337 3.344 10 0 GGAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2scc(Br)c2c1 ZINC000562639018 566809263 /nfs/dbraw/zinc/80/92/63/566809263.db2.gz SHDRMRRVUQRVPG-UHFFFAOYSA-N 2 0 398.370 3.229 10 0 GGAERP C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)cn1 ZINC000582235389 566842509 /nfs/dbraw/zinc/84/25/09/566842509.db2.gz CHCAZGJYGOHDJD-QITLCBANSA-N 2 0 389.297 3.146 10 0 GGAERP C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)cn1 ZINC000582235391 566842929 /nfs/dbraw/zinc/84/29/29/566842929.db2.gz CHCAZGJYGOHDJD-XLWVJDPXSA-N 2 0 389.297 3.146 10 0 GGAERP C[C@@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000582241806 566844179 /nfs/dbraw/zinc/84/41/79/566844179.db2.gz KMPCMNWBTFGRHR-BARDWOONSA-N 2 0 384.351 3.491 10 0 GGAERP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc(Br)c1OC(F)F ZINC000655826042 566851406 /nfs/dbraw/zinc/85/14/06/566851406.db2.gz DSLARALEJOJEPM-KLPPZKSPSA-N 2 0 393.272 3.489 10 0 GGAERP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824955 566852295 /nfs/dbraw/zinc/85/22/95/566852295.db2.gz RSABOLSGLDLMQY-UJKQEGAGSA-N 2 0 377.330 3.373 10 0 GGAERP CSC1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC[NH+](C)CC1 ZINC000518520642 566888581 /nfs/dbraw/zinc/88/85/81/566888581.db2.gz XYXJZUHHGXBOQP-ZDUSSCGKSA-N 2 0 393.380 3.150 10 0 GGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000471595599 566964699 /nfs/dbraw/zinc/96/46/99/566964699.db2.gz IKSBNXIRQDARGL-LSDHHAIUSA-N 2 0 386.353 3.135 10 0 GGAERP Brc1cccc(N2CC[C@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000657451206 567059167 /nfs/dbraw/zinc/05/91/67/567059167.db2.gz KBXHUQCFAIJKFL-INIZCTEOSA-N 2 0 398.308 3.398 10 0 GGAERP CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000657527640 567065629 /nfs/dbraw/zinc/06/56/29/567065629.db2.gz WYQNAEMLVDBUJO-KRWDZBQOSA-N 2 0 396.373 3.248 10 0 GGAERP Cc1c(Br)cncc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537460 567067216 /nfs/dbraw/zinc/06/72/16/567067216.db2.gz LTQPNDMDUQWTEG-UHFFFAOYSA-N 2 0 382.346 3.133 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)[C@H]2CCC[C@@H]21 ZINC000453367419 567080554 /nfs/dbraw/zinc/08/05/54/567080554.db2.gz MMFZCPKHVCFETQ-OLQIXAPSSA-N 2 0 399.348 3.202 10 0 GGAERP Cn1cncc1CCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000522011094 567093432 /nfs/dbraw/zinc/09/34/32/567093432.db2.gz MUVNGYYCPUXORN-UHFFFAOYSA-N 2 0 378.314 3.411 10 0 GGAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ncc(Br)s1 ZINC000658068352 567118738 /nfs/dbraw/zinc/11/87/38/567118738.db2.gz WGFQHCHRXMEUJF-GFCCVEGCSA-N 2 0 388.375 3.447 10 0 GGAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cncc(Br)c1 ZINC000658070092 567119109 /nfs/dbraw/zinc/11/91/09/567119109.db2.gz LHRMWTOVPTYZSM-AWEZNQCLSA-N 2 0 382.346 3.386 10 0 GGAERP CC[NH2+]Cc1ccccc1NC(=O)c1sc2c(c1Br)CNC2 ZINC000659302040 567202436 /nfs/dbraw/zinc/20/24/36/567202436.db2.gz BQOGHVHMWOAAFM-UHFFFAOYSA-N 2 0 380.311 3.476 10 0 GGAERP C[NH+](C)CCOCC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000499219139 567230624 /nfs/dbraw/zinc/23/06/24/567230624.db2.gz OQIWRIVPHOXZTH-UHFFFAOYSA-N 2 0 384.343 3.240 10 0 GGAERP COc1cc(Br)ccc1CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457721 567275522 /nfs/dbraw/zinc/27/55/22/567275522.db2.gz KQTLHRZEWMQKEE-SFHVURJKSA-N 2 0 396.373 3.058 10 0 GGAERP CC[C@@H]1C[N@H+](CCCOc2cccc(I)c2)CC[C@H]1[NH3+] ZINC000592427604 567338243 /nfs/dbraw/zinc/33/82/43/567338243.db2.gz HAJIJCRIPVPUOU-CZUORRHYSA-N 2 0 388.293 3.119 10 0 GGAERP CC(C)Oc1cc(Cl)c(C[NH2+]CCC(=O)N2CCN(C)CC2)cc1Cl ZINC000527654665 567356521 /nfs/dbraw/zinc/35/65/21/567356521.db2.gz VAGZDXYOJKYWNB-UHFFFAOYSA-N 2 0 388.339 3.034 10 0 GGAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000569632995 567418348 /nfs/dbraw/zinc/41/83/48/567418348.db2.gz XJQJSNDCVRLGPT-OAHLLOKOSA-N 2 0 392.341 3.241 10 0 GGAERP [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ncc(Br)cc2Cl)CC1 ZINC000662284308 567423525 /nfs/dbraw/zinc/42/35/25/567423525.db2.gz XDLLQYUWFJXADL-GOEBONIOSA-N 2 0 388.737 3.216 10 0 GGAERP [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ncc(Br)cc2Cl)CC1 ZINC000662284312 567423609 /nfs/dbraw/zinc/42/36/09/567423609.db2.gz XDLLQYUWFJXADL-HOCLYGCPSA-N 2 0 388.737 3.216 10 0 GGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ncc(Br)cc2Cl)C1 ZINC000662285007 567424584 /nfs/dbraw/zinc/42/45/84/567424584.db2.gz TZQFMURESZRBLI-KCXAZCMYSA-N 2 0 388.737 3.358 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Br ZINC000662295877 567425269 /nfs/dbraw/zinc/42/52/69/567425269.db2.gz INRAZBHEZNAGDD-INIZCTEOSA-N 2 0 394.357 3.489 10 0 GGAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000569752511 567430090 /nfs/dbraw/zinc/43/00/90/567430090.db2.gz DLYXRLUKYIPZDC-AWEZNQCLSA-N 2 0 382.961 3.371 10 0 GGAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1sc2c(c1Br)CNC2 ZINC000662745240 567460992 /nfs/dbraw/zinc/46/09/92/567460992.db2.gz KORQPMYUMOEFCR-LLVKDONJSA-N 2 0 386.359 3.060 10 0 GGAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000550890856 567468543 /nfs/dbraw/zinc/46/85/43/567468543.db2.gz IUIBUHSGYXENFS-HOTGVXAUSA-N 2 0 384.362 3.101 10 0 GGAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000503553372 567493766 /nfs/dbraw/zinc/49/37/66/567493766.db2.gz AHLJHQNMQICKQP-UHFFFAOYSA-N 2 0 389.371 3.408 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)[C@H]2CCC[C@H]21 ZINC000570553179 567494476 /nfs/dbraw/zinc/49/44/76/567494476.db2.gz ARUMOWKNSHGURA-OQIJWPOYSA-N 2 0 381.358 3.063 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)[C@H]2CCC[C@@H]21 ZINC000570553181 567495653 /nfs/dbraw/zinc/49/56/53/567495653.db2.gz ARUMOWKNSHGURA-YSHGAJCASA-N 2 0 381.358 3.063 10 0 GGAERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000570564273 567496332 /nfs/dbraw/zinc/49/63/32/567496332.db2.gz KXNBFGBEGHZCCG-YMAMQOFZSA-N 2 0 375.340 3.443 10 0 GGAERP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)COc1c(Cl)cccc1Cl ZINC000663373990 567502782 /nfs/dbraw/zinc/50/27/82/567502782.db2.gz AJGNPKLKQQJNSH-MRXNPFEDSA-N 2 0 387.351 3.445 10 0 GGAERP CC[C@@H]1CN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000529380778 567511338 /nfs/dbraw/zinc/51/13/38/567511338.db2.gz AXQRPQGVTBDGDJ-DQYPLSBCSA-N 2 0 387.355 3.365 10 0 GGAERP C[C@@H]1CCN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000529382588 567511633 /nfs/dbraw/zinc/51/16/33/567511633.db2.gz FZSKJVZHRJILFM-IFIJOSMWSA-N 2 0 387.355 3.222 10 0 GGAERP CCOc1cc(CNCC23CC(C2)C[NH2+]3)cc(Br)c1OC(F)F ZINC000663501187 567511604 /nfs/dbraw/zinc/51/16/04/567511604.db2.gz CJWCURSVQIOECQ-UHFFFAOYSA-N 2 0 391.256 3.291 10 0 GGAERP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCC12CC(C1)C[NH2+]2 ZINC000663497362 567512119 /nfs/dbraw/zinc/51/21/19/567512119.db2.gz FUMTYUATHFIHIE-VHTNMKBUSA-N 2 0 375.822 3.418 10 0 GGAERP COc1c(Br)cc(CNCC23CC(C2)C[NH2+]3)cc1Br ZINC000663501999 567512585 /nfs/dbraw/zinc/51/25/85/567512585.db2.gz NIZJEHKAYTZJHA-UHFFFAOYSA-N 2 0 390.119 3.062 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H]2CCC[C@H]21 ZINC000552064018 567554577 /nfs/dbraw/zinc/55/45/77/567554577.db2.gz UYZQFRDBYPYOLV-XGXHKWSGSA-N 2 0 378.358 3.490 10 0 GGAERP O[C@H]1CC[N@@H+](C2CCN(c3ccnc4ccc(Br)cc43)CC2)C1 ZINC000664599808 567577489 /nfs/dbraw/zinc/57/74/89/567577489.db2.gz BHUPJZFFMRFQIY-HNNXBMFYSA-N 2 0 376.298 3.033 10 0 GGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc(Br)cn1 ZINC000552340003 567578625 /nfs/dbraw/zinc/57/86/25/567578625.db2.gz ITCMHOSIQCEJMP-CRAIPNDOSA-N 2 0 377.330 3.146 10 0 GGAERP COc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530248106 567587154 /nfs/dbraw/zinc/58/71/54/567587154.db2.gz GAMMEJBOBNTXLI-INIZCTEOSA-N 2 0 383.330 3.048 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000665285352 567615495 /nfs/dbraw/zinc/61/54/95/567615495.db2.gz KSSMZIBXPJKDBU-GOSISDBHSA-N 2 0 394.357 3.017 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000665285563 567615674 /nfs/dbraw/zinc/61/56/74/567615674.db2.gz PZBGJENLVBXIDU-KRWDZBQOSA-N 2 0 381.973 3.457 10 0 GGAERP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(Br)cc1 ZINC000665285783 567615816 /nfs/dbraw/zinc/61/58/16/567615816.db2.gz WVVSDMLSOMBNRN-SFHVURJKSA-N 2 0 396.373 3.480 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)cs2)CC1 ZINC000665289624 567616730 /nfs/dbraw/zinc/61/67/30/567616730.db2.gz SVDIZGGRNJXKNW-GFCCVEGCSA-N 2 0 388.375 3.152 10 0 GGAERP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncnc2ccc(Br)cc21 ZINC000530956604 567633042 /nfs/dbraw/zinc/63/30/42/567633042.db2.gz LPFLJGVVIAZUAO-UHFFFAOYSA-N 2 0 394.361 3.102 10 0 GGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000440701206 567640632 /nfs/dbraw/zinc/64/06/32/567640632.db2.gz IKVKTLNUSODBHI-WMLDXEAASA-N 2 0 382.346 3.440 10 0 GGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)[C@H](C)C1 ZINC000440701202 567641230 /nfs/dbraw/zinc/64/12/30/567641230.db2.gz IKVKTLNUSODBHI-PBHICJAKSA-N 2 0 382.346 3.440 10 0 GGAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(I)cc1 ZINC000596655911 567646983 /nfs/dbraw/zinc/64/69/83/567646983.db2.gz ZNPBFHMXGPZRQW-RDTXWAMCSA-N 2 0 394.300 3.382 10 0 GGAERP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000532196283 567702968 /nfs/dbraw/zinc/70/29/68/567702968.db2.gz GSALIJGKCSQBLD-GOSISDBHSA-N 2 0 396.373 3.280 10 0 GGAERP CN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000532196288 567703160 /nfs/dbraw/zinc/70/31/60/567703160.db2.gz GSALIJGKCSQBLD-SFHVURJKSA-N 2 0 396.373 3.280 10 0 GGAERP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666950714 567713757 /nfs/dbraw/zinc/71/37/57/567713757.db2.gz CEDPKFSFNJLBAR-MRXNPFEDSA-N 2 0 383.330 3.478 10 0 GGAERP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)nc12 ZINC000623491184 567714830 /nfs/dbraw/zinc/71/48/30/567714830.db2.gz IKLNNPNDIBPDRD-OAHLLOKOSA-N 2 0 379.346 3.410 10 0 GGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442871379 567714895 /nfs/dbraw/zinc/71/48/95/567714895.db2.gz FWBOETMFEUNVCQ-AWEZNQCLSA-N 2 0 386.353 3.135 10 0 GGAERP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953524 567715261 /nfs/dbraw/zinc/71/52/61/567715261.db2.gz AQPIDJCHIDVEBC-SFHVURJKSA-N 2 0 389.341 3.483 10 0 GGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542339 567720450 /nfs/dbraw/zinc/72/04/50/567720450.db2.gz WKHYSAZGQSOVJL-HUUCEWRRSA-N 2 0 387.337 3.202 10 0 GGAERP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541408 567720884 /nfs/dbraw/zinc/72/08/84/567720884.db2.gz HYXJNBMQWVENKH-JKSUJKDBSA-N 2 0 399.373 3.071 10 0 GGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541803 567720904 /nfs/dbraw/zinc/72/09/04/567720904.db2.gz YQKDOESWHFJELP-CZUORRHYSA-N 2 0 387.337 3.202 10 0 GGAERP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623541901 567721088 /nfs/dbraw/zinc/72/10/88/567721088.db2.gz CPXHZEQFBCBFMA-WBVHZDCISA-N 2 0 383.374 3.371 10 0 GGAERP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623541899 567721153 /nfs/dbraw/zinc/72/11/53/567721153.db2.gz CPXHZEQFBCBFMA-NVXWUHKLSA-N 2 0 383.374 3.371 10 0 GGAERP CN(C)c1cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ncc1Br ZINC000667203464 567733963 /nfs/dbraw/zinc/73/39/63/567733963.db2.gz OVSSNLFWAKQMIM-LBPRGKRZSA-N 2 0 398.349 3.152 10 0 GGAERP C[NH+](C)C[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000624192188 567766519 /nfs/dbraw/zinc/76/65/19/567766519.db2.gz NRDSTDAHPXTROD-VQIMIIECSA-N 2 0 386.367 3.439 10 0 GGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000574251699 567767123 /nfs/dbraw/zinc/76/71/23/567767123.db2.gz YRXAYDOKHICWOB-MRXNPFEDSA-N 2 0 395.389 3.445 10 0 GGAERP Brc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c1OCCCO2 ZINC000647544514 567791017 /nfs/dbraw/zinc/79/10/17/567791017.db2.gz CBNXHFLIABJURO-GASCZTMLSA-N 2 0 381.314 3.042 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1 ZINC000647901815 567805627 /nfs/dbraw/zinc/80/56/27/567805627.db2.gz VVFAOLQFLJAJQT-YOEHRIQHSA-N 2 0 380.330 3.242 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000032779415 570807825 /nfs/dbraw/zinc/80/78/25/570807825.db2.gz PDSAYRGGCMGBTH-QFIPXVFZSA-N 2 0 380.536 3.253 10 0 GGAERP O[C@H](COc1cccc(C[NH2+]CCc2ccncc2)c1)C[NH+]1CCCCCC1 ZINC000020208062 1399344435 /nfs/dbraw/zinc/34/44/35/1399344435.db2.gz PVHNSJXLVKTTPZ-QFIPXVFZSA-N 2 0 383.536 3.030 10 0 GGAERP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(OC)cc(OC)c3)cc2)CC1 ZINC000061070073 1408073750 /nfs/dbraw/zinc/07/37/50/1408073750.db2.gz DQFJDKVZRZGZRM-UHFFFAOYSA-N 2 0 383.536 3.131 10 0 GGAERP CCCOc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1OCC ZINC000066877115 1408939902 /nfs/dbraw/zinc/93/99/02/1408939902.db2.gz AFQFNPKECQJUPR-UHFFFAOYSA-N 2 0 398.551 3.311 10 0 GGAERP c1ccc(N2CCOCC2)c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000067449900 1409121786 /nfs/dbraw/zinc/12/17/86/1409121786.db2.gz CEOHCHMCTCBZGM-UHFFFAOYSA-N 2 0 395.547 3.288 10 0 GGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000069066367 1409555314 /nfs/dbraw/zinc/55/53/14/1409555314.db2.gz HHEUZOSTJMHXNS-LJQANCHMSA-N 2 0 382.426 3.469 10 0 GGAERP Cc1cccc([C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)N2CCOCC2)c1 ZINC000069679736 1409673414 /nfs/dbraw/zinc/67/34/14/1409673414.db2.gz DCGIGKFHPCWYTM-XMMPIXPASA-N 2 0 397.563 3.099 10 0 GGAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000069708705 1409679296 /nfs/dbraw/zinc/67/92/96/1409679296.db2.gz FZVFOCRUESUCGK-UHFFFAOYSA-N 2 0 395.547 3.275 10 0 GGAERP CCOc1cc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)ccc1C ZINC000077203610 1409895163 /nfs/dbraw/zinc/89/51/63/1409895163.db2.gz GPWZHRFODSMORJ-LJQANCHMSA-N 2 0 376.545 3.274 10 0 GGAERP CC(C)[C@H](C[NH2+]Cc1cc(Cl)ccc1OC(F)F)N1CC[NH+](C)CC1 ZINC000078891586 1409941072 /nfs/dbraw/zinc/94/10/72/1409941072.db2.gz GOMNRHMVXRFMHP-INIZCTEOSA-N 2 0 375.891 3.303 10 0 GGAERP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000103173667 1410834133 /nfs/dbraw/zinc/83/41/33/1410834133.db2.gz BFEUZOCHVTYXRM-HXUWFJFHSA-N 2 0 375.520 3.136 10 0 GGAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000105451188 1411067489 /nfs/dbraw/zinc/06/74/89/1411067489.db2.gz ATXKJHLNTOGETQ-UHFFFAOYSA-N 2 0 382.552 3.024 10 0 GGAERP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)OCCO4)cc2)C[C@@H](C)O1 ZINC000119683093 1413530187 /nfs/dbraw/zinc/53/01/87/1413530187.db2.gz CJPADUVPXZIXRT-QZTJIDSGSA-N 2 0 382.504 3.357 10 0 GGAERP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H](c3ccccc3)N3CCOCC3)CC2)cc1 ZINC000120623419 1413858226 /nfs/dbraw/zinc/85/82/26/1413858226.db2.gz FEYABVYXBYMTRV-VWLOTQADSA-N 2 0 393.575 3.357 10 0 GGAERP C[NH+](C)CCOc1ccccc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000122309038 1414419808 /nfs/dbraw/zinc/41/98/08/1414419808.db2.gz BYTOOCDFXYFUDS-UHFFFAOYSA-N 2 0 381.564 3.424 10 0 GGAERP COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123553408 1414771763 /nfs/dbraw/zinc/77/17/63/1414771763.db2.gz BDFZMCHJGHFAEH-QGZVFWFLSA-N 2 0 389.540 3.162 10 0 GGAERP Cc1nccn1CCC[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000130703697 1416429140 /nfs/dbraw/zinc/42/91/40/1416429140.db2.gz FRMUIVODFVBGMN-AWEZNQCLSA-N 2 0 380.895 3.353 10 0 GGAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000131196412 1416522164 /nfs/dbraw/zinc/52/21/64/1416522164.db2.gz FQAGXFGASXKKSV-UHFFFAOYSA-N 2 0 393.579 3.109 10 0 GGAERP CC(C)[C@H](C[NH2+]Cc1cc(Br)ccc1Cl)N1CC[NH+](C)CC1 ZINC000135859999 1417274084 /nfs/dbraw/zinc/27/40/84/1417274084.db2.gz HTPZXTCBXADWJY-KRWDZBQOSA-N 2 0 388.781 3.464 10 0 GGAERP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000136226556 1417302753 /nfs/dbraw/zinc/30/27/53/1417302753.db2.gz ASGIFZJWZNOBEO-UHFFFAOYSA-N 2 0 393.535 3.173 10 0 GGAERP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000136599521 1417331230 /nfs/dbraw/zinc/33/12/30/1417331230.db2.gz BWGVTWKVEKZQBU-RTWAWAEBSA-N 2 0 382.508 3.126 10 0 GGAERP COC[C@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1cccc(OC)c1OC)CC2 ZINC000169782604 1425255759 /nfs/dbraw/zinc/25/57/59/1425255759.db2.gz CLXQBKFNRLBOFH-LJQANCHMSA-N 2 0 388.552 3.417 10 0 GGAERP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174240359 1427064763 /nfs/dbraw/zinc/06/47/63/1427064763.db2.gz CQQYGEBZJBDZSY-VQTJNVASSA-N 2 0 399.579 3.320 10 0 GGAERP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174240346 1427065108 /nfs/dbraw/zinc/06/51/08/1427065108.db2.gz CQQYGEBZJBDZSY-WOJBJXKFSA-N 2 0 399.579 3.320 10 0 GGAERP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000183368700 1430692137 /nfs/dbraw/zinc/69/21/37/1430692137.db2.gz GDSVSQRCZLDLSS-XMMPIXPASA-N 2 0 397.563 3.099 10 0 GGAERP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000237010597 1433385797 /nfs/dbraw/zinc/38/57/97/1433385797.db2.gz FQXXRKRKPGQJJD-RTBURBONSA-N 2 0 378.580 3.424 10 0 GGAERP Cc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)C2=O)cc1 ZINC000237915979 1433433981 /nfs/dbraw/zinc/43/39/81/1433433981.db2.gz CYFBCGSZWQGRJV-HSZRJFAPSA-N 2 0 393.531 3.365 10 0 GGAERP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccc(F)cc1 ZINC000245686858 1433499394 /nfs/dbraw/zinc/49/93/94/1433499394.db2.gz JREBFTMWWGENCC-YUMYIRISSA-N 2 0 384.495 3.351 10 0 GGAERP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccc(F)cc1 ZINC000245686846 1433499415 /nfs/dbraw/zinc/49/94/15/1433499415.db2.gz JREBFTMWWGENCC-KJJMTIBFSA-N 2 0 384.495 3.351 10 0 GGAERP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccc(F)cc1 ZINC000245686853 1433499686 /nfs/dbraw/zinc/49/96/86/1433499686.db2.gz JREBFTMWWGENCC-LRSLUSHPSA-N 2 0 384.495 3.351 10 0 GGAERP CC[NH+]1CCC(N2CCC3(CC2)[NH2+]CCc2c4cc(OC)ccc4[nH]c23)CC1 ZINC000257176587 1433893316 /nfs/dbraw/zinc/89/33/16/1433893316.db2.gz AORFEKRGURPUAD-UHFFFAOYSA-N 2 0 382.552 3.098 10 0 GGAERP COCc1nnc([C@@H]2C[N@H+](Cc3cccc(Cl)c3)CC23CC[NH+](C)CC3)o1 ZINC000257178312 1433893579 /nfs/dbraw/zinc/89/35/79/1433893579.db2.gz ZWSGISQQUHGSAZ-KRWDZBQOSA-N 2 0 390.915 3.181 10 0 GGAERP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(N2CCOCC2)c1 ZINC000268753464 1434553385 /nfs/dbraw/zinc/55/33/85/1434553385.db2.gz CZNIXZMNSOQMHZ-LJQANCHMSA-N 2 0 383.536 3.314 10 0 GGAERP C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000275597471 1435151576 /nfs/dbraw/zinc/15/15/76/1435151576.db2.gz GJFMLJZGRXCDEM-UHFFFAOYSA-N 2 0 384.524 3.053 10 0 GGAERP CC[N@@H+]1CCC[C@H]1CN(Cc1cccc(C)n1)CC1CC[NH+](CCOC)CC1 ZINC000019794727 207163625 /nfs/dbraw/zinc/16/36/25/207163625.db2.gz QVXCJSMTDZQFGW-QHCPKHFHSA-N 2 0 388.600 3.035 10 0 GGAERP CSc1ccc([C@@H]2C[C@H]3CN(C4CC[NH+](C)CC4)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000020784854 207215587 /nfs/dbraw/zinc/21/55/87/207215587.db2.gz DSUKXLRCFJHVGR-XJABCFGWSA-N 2 0 385.577 3.241 10 0 GGAERP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1)CC(C)C ZINC000095459633 208186024 /nfs/dbraw/zinc/18/60/24/208186024.db2.gz ILFRHZAUNRJZFD-JOCHJYFZSA-N 2 0 393.616 3.236 10 0 GGAERP C[N@H+](CCc1ccccn1)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095528559 208224949 /nfs/dbraw/zinc/22/49/49/208224949.db2.gz NZTSMHLXVGISIW-QHCPKHFHSA-N 2 0 397.563 3.372 10 0 GGAERP C[N@H+](CCc1ccccn1)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095528558 208225762 /nfs/dbraw/zinc/22/57/62/208225762.db2.gz NZTSMHLXVGISIW-HSZRJFAPSA-N 2 0 397.563 3.372 10 0 GGAERP Cc1cnccc1C[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000096835296 208322689 /nfs/dbraw/zinc/32/26/89/208322689.db2.gz VXLKCGGFNCZGTP-QFIPXVFZSA-N 2 0 383.536 3.248 10 0 GGAERP CC[NH+]1CCN(c2cc(C[NH2+][C@H](C)c3ccccc3-n3cccn3)ccn2)CC1 ZINC000095407530 136179022 /nfs/dbraw/zinc/17/90/22/136179022.db2.gz JPYOEWODUICNCI-LJQANCHMSA-N 2 0 390.535 3.260 10 0 GGAERP CC[NH+]1CCN(c2ccccc2NC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000040103965 535755580 /nfs/dbraw/zinc/75/55/80/535755580.db2.gz KKJCPSMHBSIGCY-UHFFFAOYSA-N 2 0 387.572 3.215 10 0 GGAERP Brc1cccc(-c2c[nH]c(C[NH2+]CCCC[NH+]3CCOCC3)n2)c1 ZINC000111383308 565053986 /nfs/dbraw/zinc/05/39/86/565053986.db2.gz WTWQTAIRWFTGIZ-UHFFFAOYSA-N 2 0 393.329 3.041 10 0 GGAERP CC[NH+](CC)CCSCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000369927544 565118969 /nfs/dbraw/zinc/11/89/69/565118969.db2.gz NDLJWDJVZDSRQI-APWZRJJASA-N 2 0 383.627 3.322 10 0 GGAERP C[N@@H+]1CCC[C@H]2CN(Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]21 ZINC000158859574 565185109 /nfs/dbraw/zinc/18/51/09/565185109.db2.gz HGNBHXMGGAGPOE-BBRMVZONSA-N 2 0 391.313 3.415 10 0 GGAERP C[C@@H](C[NH2+][C@H]1CCc2c1ccc(F)c2Br)CN1CC[NH+](C)CC1 ZINC000295174409 565249448 /nfs/dbraw/zinc/24/94/48/565249448.db2.gz LWJMRSRKVCOHNC-GUYCJALGSA-N 2 0 384.337 3.049 10 0 GGAERP C[C@H](C[NH2+][C@H]1CCc2c1ccc(F)c2Br)CN1CC[NH+](C)CC1 ZINC000295174408 565249459 /nfs/dbraw/zinc/24/94/59/565249459.db2.gz LWJMRSRKVCOHNC-DYVFJYSZSA-N 2 0 384.337 3.049 10 0 GGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Br)[C@@H](C)C1 ZINC000298720003 565426629 /nfs/dbraw/zinc/42/66/29/565426629.db2.gz UPHFFYXPJHWYCX-WMLDXEAASA-N 2 0 382.346 3.440 10 0 GGAERP Cc1[nH+]c2ccc(Br)cc2c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1C ZINC000301687359 565504720 /nfs/dbraw/zinc/50/47/20/565504720.db2.gz XHUVYFQNNIASBI-IAGOWNOFSA-N 2 0 376.298 3.133 10 0 GGAERP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)ccc2I)CC1 ZINC000405412036 565587248 /nfs/dbraw/zinc/58/72/48/565587248.db2.gz AIBBKSWTUMQLEY-UHFFFAOYSA-N 2 0 378.685 3.376 10 0 GGAERP COc1cc(Br)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000321955703 565608180 /nfs/dbraw/zinc/60/81/80/565608180.db2.gz HSMITTXHVFFVGX-CJNGLKHVSA-N 2 0 383.330 3.430 10 0 GGAERP Cc1[nH+]c2ccc(Br)cc2c(N2CCC[N@H+](CCO)CC2)c1C ZINC000174729582 565654743 /nfs/dbraw/zinc/65/47/43/565654743.db2.gz INBXKRRQDHSJMA-UHFFFAOYSA-N 2 0 378.314 3.119 10 0 GGAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178002753 565889065 /nfs/dbraw/zinc/88/90/65/565889065.db2.gz QMVFXOAWBGMTDO-GOSISDBHSA-N 2 0 396.373 3.280 10 0 GGAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000414113201 565896491 /nfs/dbraw/zinc/89/64/91/565896491.db2.gz KLUIKCGYQPSCRT-INIZCTEOSA-N 2 0 384.362 3.245 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000414113202 565896916 /nfs/dbraw/zinc/89/69/16/565896916.db2.gz KLUIKCGYQPSCRT-MRXNPFEDSA-N 2 0 384.362 3.245 10 0 GGAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178288912 565910904 /nfs/dbraw/zinc/91/09/04/565910904.db2.gz YQSXCAYYISYAQM-SFHVURJKSA-N 2 0 396.373 3.278 10 0 GGAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178777144 565936604 /nfs/dbraw/zinc/93/66/04/565936604.db2.gz NFRMSKRRZUECBQ-GOSISDBHSA-N 2 0 396.373 3.280 10 0 GGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060373 565971915 /nfs/dbraw/zinc/97/19/15/565971915.db2.gz WNABASSLPGKDGS-VNCLNFNDSA-N 2 0 380.374 3.186 10 0 GGAERP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058667 565972015 /nfs/dbraw/zinc/97/20/15/565972015.db2.gz UIKHXGISAODPSO-ODIFPOPNSA-N 2 0 398.364 3.325 10 0 GGAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000245416070 565988541 /nfs/dbraw/zinc/98/85/41/565988541.db2.gz DVTMKHMTYHIZGS-YOEHRIQHSA-N 2 0 382.346 3.358 10 0 GGAERP CC[N@@H+]1CC[C@H](N(C)Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000245731941 566002968 /nfs/dbraw/zinc/00/29/68/566002968.db2.gz JYKNAUJWKSNOOT-BBRMVZONSA-N 2 0 383.330 3.382 10 0 GGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000246412984 566028210 /nfs/dbraw/zinc/02/82/10/566028210.db2.gz BICXPHPBYFEANY-VBQJREDUSA-N 2 0 375.340 3.395 10 0 GGAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000247026112 566050246 /nfs/dbraw/zinc/05/02/46/566050246.db2.gz NFRMSKRRZUECBQ-SFHVURJKSA-N 2 0 396.373 3.280 10 0 GGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000247050562 566051077 /nfs/dbraw/zinc/05/10/77/566051077.db2.gz OHYYOFVYIVYFCS-WMLDXEAASA-N 2 0 382.346 3.440 10 0 GGAERP C[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000181702918 566159804 /nfs/dbraw/zinc/15/98/04/566159804.db2.gz SUAPOYCTEKDWAA-KBPBESRZSA-N 2 0 380.330 3.482 10 0 GGAERP C[C@@H](NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1)[C@H](C)[NH3+] ZINC000418707464 566220387 /nfs/dbraw/zinc/22/03/87/566220387.db2.gz TWZCOIDBAFZBIB-UONOGXRCSA-N 2 0 387.355 3.337 10 0 GGAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(C(F)(F)F)c1 ZINC000625024010 566267017 /nfs/dbraw/zinc/26/70/17/566267017.db2.gz HRVGJQCVJYXBSA-CQSZACIVSA-N 2 0 377.476 3.255 10 0 GGAERP C[NH+](C)CCCC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000481977772 566271619 /nfs/dbraw/zinc/27/16/19/566271619.db2.gz YJBABBAZXBPUSX-HNNXBMFYSA-N 2 0 388.293 3.436 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420395587 566276788 /nfs/dbraw/zinc/27/67/88/566276788.db2.gz LKCNFCKQLQWJPT-GUYCJALGSA-N 2 0 398.320 3.381 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000420381830 566277072 /nfs/dbraw/zinc/27/70/72/566277072.db2.gz CTFLKXBYRMIMSL-WMLDXEAASA-N 2 0 380.330 3.242 10 0 GGAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000556237116 566277623 /nfs/dbraw/zinc/27/76/23/566277623.db2.gz SMKQTVPGAMQIQV-INIZCTEOSA-N 2 0 392.341 3.111 10 0 GGAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4c3ccc(F)c4Br)C2)CC1 ZINC000648450631 566287030 /nfs/dbraw/zinc/28/70/30/566287030.db2.gz XFRSMNURBSDZRE-UGSOOPFHSA-N 2 0 396.348 3.334 10 0 GGAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccccc1I ZINC000482241776 566296989 /nfs/dbraw/zinc/29/69/89/566296989.db2.gz JFVGFAURTGPOAA-ZIAGYGMSSA-N 2 0 388.293 3.053 10 0 GGAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1sc2ncccc2c1Cl ZINC000625540473 566333396 /nfs/dbraw/zinc/33/33/96/566333396.db2.gz JKRAYZNCVQXXGD-UHFFFAOYSA-N 2 0 382.961 3.295 10 0 GGAERP COc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000556939384 566347908 /nfs/dbraw/zinc/34/79/08/566347908.db2.gz YISMDBBALDIEPC-ZANVPECISA-N 2 0 392.135 3.308 10 0 GGAERP CC(C)C[C@H]([NH2+][C@H]1CCc2ccc(Br)cc21)C(=O)NCC[NH+](C)C ZINC000510731512 566408629 /nfs/dbraw/zinc/40/86/29/566408629.db2.gz FVWZMWXBEVJBQQ-ROUUACIJSA-N 2 0 396.373 3.119 10 0 GGAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873977 566464728 /nfs/dbraw/zinc/46/47/28/566464728.db2.gz MVDGZKGYRYIAPL-LNSITVRQSA-N 2 0 376.854 3.440 10 0 GGAERP C[C@H](CCCC[NH3+])NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627093266 566465139 /nfs/dbraw/zinc/46/51/39/566465139.db2.gz LBWPDKFODKXZBV-WBMJQRKESA-N 2 0 375.344 3.413 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000627119247 566466222 /nfs/dbraw/zinc/46/62/22/566466222.db2.gz LKDWBTOZADQYFD-CVEARBPZSA-N 2 0 385.339 3.037 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000627119250 566466588 /nfs/dbraw/zinc/46/65/88/566466588.db2.gz LKDWBTOZADQYFD-JKSUJKDBSA-N 2 0 385.339 3.037 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(Cl)c1 ZINC000627126706 566468125 /nfs/dbraw/zinc/46/81/25/566468125.db2.gz JAWCUMYAOIPDDF-JKSUJKDBSA-N 2 0 385.339 3.180 10 0 GGAERP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423025474 566469215 /nfs/dbraw/zinc/46/92/15/566469215.db2.gz OJTOXHPNRNXKEE-MFKMUULPSA-N 2 0 381.236 3.325 10 0 GGAERP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713167 566471171 /nfs/dbraw/zinc/47/11/71/566471171.db2.gz HWGWWNQXYOINEQ-UHFFFAOYSA-N 2 0 377.330 3.470 10 0 GGAERP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707265 566471623 /nfs/dbraw/zinc/47/16/23/566471623.db2.gz BXOJEPJTXTVDSR-FDQGKXFDSA-N 2 0 383.330 3.176 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627220060 566472322 /nfs/dbraw/zinc/47/23/22/566472322.db2.gz KILMHVSVIMXBQS-RHSMWYFYSA-N 2 0 385.339 3.132 10 0 GGAERP COC[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423076579 566473166 /nfs/dbraw/zinc/47/31/66/566473166.db2.gz ZHXMYHMGYLHNQQ-RBUKOAKNSA-N 2 0 392.341 3.471 10 0 GGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000650718393 566473995 /nfs/dbraw/zinc/47/39/95/566473995.db2.gz KCFDIDBMPDGRND-UHFFFAOYSA-N 2 0 377.282 3.230 10 0 GGAERP Cc1c([C@H](C)[NH2+]CCC2(C[NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000650744199 566475840 /nfs/dbraw/zinc/47/58/40/566475840.db2.gz IJAPGIZNJCEAHT-LBPRGKRZSA-N 2 0 378.318 3.118 10 0 GGAERP Brc1ccc(-c2c[nH]c(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000578070502 566489460 /nfs/dbraw/zinc/48/94/60/566489460.db2.gz VSDWMDJPUOPJFY-GASCZTMLSA-N 2 0 375.314 3.271 10 0 GGAERP COc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(Br)c1 ZINC000423506394 566489875 /nfs/dbraw/zinc/48/98/75/566489875.db2.gz IQNLSZSVRXWSCB-FHERZECASA-N 2 0 396.373 3.325 10 0 GGAERP Brc1ccc2c(c1)CC[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)C2 ZINC000423499454 566489948 /nfs/dbraw/zinc/48/99/48/566489948.db2.gz AYFNAKBBKZYJTB-IOJLRTSASA-N 2 0 392.385 3.112 10 0 GGAERP Brc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000423505210 566490190 /nfs/dbraw/zinc/49/01/90/566490190.db2.gz GRRVTZPHOUJHKS-TVPLGVNVSA-N 2 0 378.358 3.242 10 0 GGAERP COc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1Br ZINC000423500492 566491385 /nfs/dbraw/zinc/49/13/85/566491385.db2.gz CBRBHZUOBHRVAH-OOHWJJMZSA-N 2 0 396.373 3.325 10 0 GGAERP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423509510 566491402 /nfs/dbraw/zinc/49/14/02/566491402.db2.gz MMAODAMGKHZUPJ-RWBZWWBESA-N 2 0 398.364 3.325 10 0 GGAERP Brc1cc2c(s1)CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423517253 566492862 /nfs/dbraw/zinc/49/28/62/566492862.db2.gz XPYLBMSYCHXYQL-PIMMBPRGSA-N 2 0 384.387 3.304 10 0 GGAERP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Br)ccc1F ZINC000423525741 566493080 /nfs/dbraw/zinc/49/30/80/566493080.db2.gz YNVOTPYZXIMWBM-IUDNXUCKSA-N 2 0 384.337 3.455 10 0 GGAERP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(Br)s1)C(=O)NCC[NH+](C)C ZINC000538548521 566519823 /nfs/dbraw/zinc/51/98/23/566519823.db2.gz OTEINSJENXVFHX-OLZOCXBDSA-N 2 0 390.391 3.254 10 0 GGAERP CC(C)[C@@H](C[NH2+][C@H]1CCc2c1ccc(F)c2Br)N1CC[NH+](C)CC1 ZINC000449073386 566526822 /nfs/dbraw/zinc/52/68/22/566526822.db2.gz IQPIUXPOBTUKMP-ZWKOTPCHSA-N 2 0 398.364 3.437 10 0 GGAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449079379 566527920 /nfs/dbraw/zinc/52/79/20/566527920.db2.gz YMGJSQOROXAOFU-QGZVFWFLSA-N 2 0 384.337 3.191 10 0 GGAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449150495 566533472 /nfs/dbraw/zinc/53/34/72/566533472.db2.gz RLGROFQLSZKZLJ-GUYCJALGSA-N 2 0 385.321 3.402 10 0 GGAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449223455 566539277 /nfs/dbraw/zinc/53/92/77/566539277.db2.gz JYXZIFCXRGKRRY-QGZVFWFLSA-N 2 0 384.337 3.191 10 0 GGAERP COc1ncc(Br)cc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000628427806 566554310 /nfs/dbraw/zinc/55/43/10/566554310.db2.gz AQUUJXSZLDPINF-UHFFFAOYSA-N 2 0 377.286 3.006 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000628969843 566602036 /nfs/dbraw/zinc/60/20/36/566602036.db2.gz ZNEPRKYFVZPFQN-CZUORRHYSA-N 2 0 390.380 3.150 10 0 GGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2ccccc2Br)C1 ZINC000652364015 566604702 /nfs/dbraw/zinc/60/47/02/566604702.db2.gz VCNHZXABEWIWIE-UWWQBHOKSA-N 2 0 383.330 3.189 10 0 GGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOc2ccccc2Br)C1 ZINC000652364014 566605154 /nfs/dbraw/zinc/60/51/54/566605154.db2.gz VCNHZXABEWIWIE-QGPMSJSTSA-N 2 0 383.330 3.189 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H]2CCC[C@H]21 ZINC000513713697 566619196 /nfs/dbraw/zinc/61/91/96/566619196.db2.gz RWONHAOKMPEPNJ-VNQPRFMTSA-N 2 0 381.314 3.183 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H]2CCC[C@@H]21 ZINC000513713696 566619758 /nfs/dbraw/zinc/61/97/58/566619758.db2.gz RWONHAOKMPEPNJ-KBMXLJTQSA-N 2 0 381.314 3.183 10 0 GGAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc(Br)c1OC ZINC000513708564 566619988 /nfs/dbraw/zinc/61/99/88/566619988.db2.gz TZJUHBAEWKMBNP-NUEKZKHPSA-N 2 0 383.330 3.429 10 0 GGAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300120 566641884 /nfs/dbraw/zinc/64/18/84/566641884.db2.gz YYTWWNIFZRWQII-AEFFLSMTSA-N 2 0 394.357 3.077 10 0 GGAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Br)cc1Br ZINC000629541690 566663441 /nfs/dbraw/zinc/66/34/41/566663441.db2.gz UIJAMIZWONFPJO-JTQLQIEISA-N 2 0 380.124 3.228 10 0 GGAERP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629522408 566664247 /nfs/dbraw/zinc/66/42/47/566664247.db2.gz ZJDJRZKMAUEZOX-AWEZNQCLSA-N 2 0 393.325 3.467 10 0 GGAERP Brc1ccc(S[C@@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000629547206 566664268 /nfs/dbraw/zinc/66/42/68/566664268.db2.gz FIZXSXSBCFUQOB-GOEBONIOSA-N 2 0 383.355 3.137 10 0 GGAERP CC(C)C[C@H]([NH2+][C@@H](C)c1sccc1Br)C(=O)NCC[NH+](C)C ZINC000540746644 566670600 /nfs/dbraw/zinc/67/06/00/566670600.db2.gz WTLCXROHCACHNM-JSGCOSHPSA-N 2 0 390.391 3.254 10 0 GGAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000629654382 566677248 /nfs/dbraw/zinc/67/72/48/566677248.db2.gz QGWLSTOKLLRLMC-UHFFFAOYSA-N 2 0 385.224 3.016 10 0 GGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000676703706 566704342 /nfs/dbraw/zinc/70/43/42/566704342.db2.gz TYVBBHIGBDQXJD-GLJUWKHASA-N 2 0 375.340 3.395 10 0 GGAERP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000562995176 566842495 /nfs/dbraw/zinc/84/24/95/566842495.db2.gz INPMIJJCAQQUHY-OAHLLOKOSA-N 2 0 375.340 3.445 10 0 GGAERP CCC[NH+]1CCC(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000562988110 566842558 /nfs/dbraw/zinc/84/25/58/566842558.db2.gz UADOGQQFLQSZOU-UHFFFAOYSA-N 2 0 382.346 3.489 10 0 GGAERP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827642 566854487 /nfs/dbraw/zinc/85/44/87/566854487.db2.gz VWSNEDBXZFMBBG-UJKQEGAGSA-N 2 0 377.330 3.373 10 0 GGAERP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000563149871 566859574 /nfs/dbraw/zinc/85/95/74/566859574.db2.gz LYSFNEGIIFCDBX-TXEJJXNPSA-N 2 0 375.822 3.229 10 0 GGAERP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000543524520 566888094 /nfs/dbraw/zinc/88/80/94/566888094.db2.gz VMFGLZBBMSYYLR-UHFFFAOYSA-N 2 0 380.374 3.299 10 0 GGAERP COc1cc(Br)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1O ZINC000656782410 566950152 /nfs/dbraw/zinc/95/01/52/566950152.db2.gz GELAMZWWOLPUHW-CQSZACIVSA-N 2 0 383.330 3.375 10 0 GGAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000471595597 566964356 /nfs/dbraw/zinc/96/43/56/566964356.db2.gz IKSBNXIRQDARGL-GJZGRUSLSA-N 2 0 386.353 3.135 10 0 GGAERP CCC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000564408115 566972680 /nfs/dbraw/zinc/97/26/80/566972680.db2.gz VGWGDOBGKRJEFJ-UHFFFAOYSA-N 2 0 392.345 3.241 10 0 GGAERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000583747927 566979846 /nfs/dbraw/zinc/97/98/46/566979846.db2.gz KCWYHKYWDZPASU-AVVWSFFYSA-N 2 0 375.340 3.443 10 0 GGAERP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000564847249 567012267 /nfs/dbraw/zinc/01/22/67/567012267.db2.gz ZEWLKVIGGDBKQP-OAHLLOKOSA-N 2 0 375.340 3.443 10 0 GGAERP Brc1cnn(C2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000565095707 567038824 /nfs/dbraw/zinc/03/88/24/567038824.db2.gz MXGSOMYJSQDKDC-UHFFFAOYSA-N 2 0 375.314 3.128 10 0 GGAERP CCC[C@@H](CNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000613552401 567044077 /nfs/dbraw/zinc/04/40/77/567044077.db2.gz GEFMUOXISVAKNF-SOUVJXGZSA-N 2 0 384.351 3.145 10 0 GGAERP CCC[C@H](CNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000613552399 567044915 /nfs/dbraw/zinc/04/49/15/567044915.db2.gz GEFMUOXISVAKNF-KFWWJZLASA-N 2 0 384.351 3.145 10 0 GGAERP Cc1c(Br)cncc1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000657377022 567051383 /nfs/dbraw/zinc/05/13/83/567051383.db2.gz MSGFNBBNTYUDQP-UHFFFAOYSA-N 2 0 395.389 3.192 10 0 GGAERP COc1ccc(Br)cc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536717 567067663 /nfs/dbraw/zinc/06/76/63/567067663.db2.gz OTRBWHAUKVUDTA-UHFFFAOYSA-N 2 0 397.357 3.438 10 0 GGAERP Oc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000657537279 567067755 /nfs/dbraw/zinc/06/77/55/567067755.db2.gz GMPOENXBXHZDHT-UHFFFAOYSA-N 2 0 383.330 3.135 10 0 GGAERP COc1ccc(Br)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657534739 567067978 /nfs/dbraw/zinc/06/79/78/567067978.db2.gz CVNQEJNYIIQJPU-UHFFFAOYSA-N 2 0 397.357 3.438 10 0 GGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(Br)cs3)cc2)C1 ZINC000657594616 567073913 /nfs/dbraw/zinc/07/39/13/567073913.db2.gz JBLPZGYQWJOLFE-MRXNPFEDSA-N 2 0 381.339 3.367 10 0 GGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)cc3)cc2)C1 ZINC000657593775 567073942 /nfs/dbraw/zinc/07/39/42/567073942.db2.gz KRFPFOMOQVNPAU-IBGZPJMESA-N 2 0 375.310 3.306 10 0 GGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(F)cc(Br)c3)cc2)C1 ZINC000657595121 567074819 /nfs/dbraw/zinc/07/48/19/567074819.db2.gz FKTXHMXZOWLXGE-LJQANCHMSA-N 2 0 393.300 3.445 10 0 GGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(Br)c3F)cc2)C1 ZINC000657596455 567074892 /nfs/dbraw/zinc/07/48/92/567074892.db2.gz NHQURHJYFDLQAD-KRWDZBQOSA-N 2 0 393.300 3.445 10 0 GGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)c(F)c3)cc2)C1 ZINC000657594597 567075344 /nfs/dbraw/zinc/07/53/44/567075344.db2.gz CAEUHIXVUKBQQG-QGZVFWFLSA-N 2 0 393.300 3.445 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000453337212 567076465 /nfs/dbraw/zinc/07/64/65/567076465.db2.gz ASGAZJVNAXVXEL-PDWMJMLSSA-N 2 0 399.348 3.202 10 0 GGAERP CC1=CCN(CC[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000545866274 567081388 /nfs/dbraw/zinc/08/13/88/567081388.db2.gz UFYIOMKIUKIZQG-OAHLLOKOSA-N 2 0 380.330 3.408 10 0 GGAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cncc(Br)c1 ZINC000657894113 567104203 /nfs/dbraw/zinc/10/42/03/567104203.db2.gz WAQLYFMRTKMBQT-INIZCTEOSA-N 2 0 395.389 3.445 10 0 GGAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000565946086 567112863 /nfs/dbraw/zinc/11/28/63/567112863.db2.gz FRSBNQPJFDWTQU-OAHLLOKOSA-N 2 0 375.340 3.445 10 0 GGAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cncc(Br)c1 ZINC000658070094 567118530 /nfs/dbraw/zinc/11/85/30/567118530.db2.gz LHRMWTOVPTYZSM-CQSZACIVSA-N 2 0 382.346 3.386 10 0 GGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140621 567124399 /nfs/dbraw/zinc/12/43/99/567124399.db2.gz VNODHFDKAYLBER-KUHUBIRLSA-N 2 0 390.325 3.262 10 0 GGAERP CN1CC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638838391 567274812 /nfs/dbraw/zinc/27/48/12/567274812.db2.gz HVKLIPRAHZADJM-RBUKOAKNSA-N 2 0 378.358 3.436 10 0 GGAERP COc1cc(Br)ccc1CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457720 567275073 /nfs/dbraw/zinc/27/50/73/567275073.db2.gz KQTLHRZEWMQKEE-GOSISDBHSA-N 2 0 396.373 3.058 10 0 GGAERP Ic1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000591579207 567286301 /nfs/dbraw/zinc/28/63/01/567286301.db2.gz BHAIUDQRCQMQOS-GDBMZVCRSA-N 2 0 398.288 3.237 10 0 GGAERP Brc1cccc(-c2c[nH]c(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c1 ZINC000567871130 567286459 /nfs/dbraw/zinc/28/64/59/567286459.db2.gz RNWMURJULYMURZ-GASCZTMLSA-N 2 0 375.314 3.271 10 0 GGAERP CC[C@H]1C[N@H+](CCCOc2cccc(I)c2)CC[C@H]1[NH3+] ZINC000592427605 567338031 /nfs/dbraw/zinc/33/80/31/567338031.db2.gz HAJIJCRIPVPUOU-XJKSGUPXSA-N 2 0 388.293 3.119 10 0 GGAERP Clc1cc(I)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000592470666 567340769 /nfs/dbraw/zinc/34/07/69/567340769.db2.gz BSHJLLQRIKZFDE-ZKYQVNSYSA-N 2 0 390.696 3.422 10 0 GGAERP Clc1cc(I)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000592470663 567340962 /nfs/dbraw/zinc/34/09/62/567340962.db2.gz BSHJLLQRIKZFDE-MPKXVKKWSA-N 2 0 390.696 3.422 10 0 GGAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000548766718 567348558 /nfs/dbraw/zinc/34/85/58/567348558.db2.gz ADBPWPKQCKDNAL-UHFFFAOYSA-N 2 0 380.842 3.316 10 0 GGAERP COC(=O)c1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000568775789 567356470 /nfs/dbraw/zinc/35/64/70/567356470.db2.gz CWMIHMRFDYCJOD-UHFFFAOYSA-N 2 0 383.330 3.446 10 0 GGAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000569632994 567418533 /nfs/dbraw/zinc/41/85/33/567418533.db2.gz XJQJSNDCVRLGPT-HNNXBMFYSA-N 2 0 392.341 3.241 10 0 GGAERP COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255202 567422024 /nfs/dbraw/zinc/42/20/24/567422024.db2.gz BCPVBNADHVJMPG-GOEBONIOSA-N 2 0 381.314 3.116 10 0 GGAERP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCSc2ccc(Br)cc21 ZINC000662258907 567422102 /nfs/dbraw/zinc/42/21/02/567422102.db2.gz XXIYKWCYTAVHLB-ZFWWWQNUSA-N 2 0 383.355 3.439 10 0 GGAERP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ncc(Br)cc2Cl)CC1 ZINC000662284304 567423774 /nfs/dbraw/zinc/42/37/74/567423774.db2.gz XDLLQYUWFJXADL-GDBMZVCRSA-N 2 0 388.737 3.216 10 0 GGAERP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297561 567426068 /nfs/dbraw/zinc/42/60/68/567426068.db2.gz RHFPBSZPEYDBJX-INIZCTEOSA-N 2 0 394.357 3.408 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000550890857 567467393 /nfs/dbraw/zinc/46/73/93/567467393.db2.gz IUIBUHSGYXENFS-HZPDHXFCSA-N 2 0 384.362 3.101 10 0 GGAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000550890855 567468120 /nfs/dbraw/zinc/46/81/20/567468120.db2.gz IUIBUHSGYXENFS-CVEARBPZSA-N 2 0 384.362 3.101 10 0 GGAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000551268061 567491868 /nfs/dbraw/zinc/49/18/68/567491868.db2.gz YINRDYUHQYJDRZ-HNNXBMFYSA-N 2 0 384.362 3.244 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)[C@@H]2CCC[C@@H]21 ZINC000570553178 567495445 /nfs/dbraw/zinc/49/54/45/567495445.db2.gz ARUMOWKNSHGURA-BVBHFADKSA-N 2 0 381.358 3.063 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000551304623 567496681 /nfs/dbraw/zinc/49/66/81/567496681.db2.gz KQLVZRZLVUIFDF-OAHLLOKOSA-N 2 0 396.373 3.386 10 0 GGAERP C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000529380766 567511054 /nfs/dbraw/zinc/51/10/54/567511054.db2.gz ARGUOEWKEADTFD-DYVFJYSZSA-N 2 0 387.355 3.237 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)N1CCC(CC[NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000529390592 567511536 /nfs/dbraw/zinc/51/15/36/567511536.db2.gz YYZYOJHFGRSOSY-QGZVFWFLSA-N 2 0 387.355 3.367 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000529390296 567511779 /nfs/dbraw/zinc/51/17/79/567511779.db2.gz YLNXCBCMHVNIKY-SUMWQHHRSA-N 2 0 387.355 3.367 10 0 GGAERP C[C@@H]1CCN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000529382592 567511934 /nfs/dbraw/zinc/51/19/34/567511934.db2.gz FZSKJVZHRJILFM-MRRJBJDNSA-N 2 0 387.355 3.222 10 0 GGAERP Cc1cc(Br)cn2cc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)nc12 ZINC000504941801 567552976 /nfs/dbraw/zinc/55/29/76/567552976.db2.gz GMZSRCCUQJJJBP-INIZCTEOSA-N 2 0 393.329 3.286 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@H]2CCC[C@@H]21 ZINC000552049117 567553467 /nfs/dbraw/zinc/55/34/67/567553467.db2.gz LTQSQZPIEKZSAM-SQNIBIBYSA-N 2 0 394.357 3.031 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@H]2CCC[C@@H]21 ZINC000552064019 567555289 /nfs/dbraw/zinc/55/52/89/567555289.db2.gz UYZQFRDBYPYOLV-YSHGAJCASA-N 2 0 378.358 3.490 10 0 GGAERP O[C@H]1CC[N@@H+](C2CCN(c3ccnc4c(Br)ccc(F)c34)CC2)C1 ZINC000664599165 567577109 /nfs/dbraw/zinc/57/71/09/567577109.db2.gz YKZAVRQCNUIUPV-ZDUSSCGKSA-N 2 0 394.288 3.172 10 0 GGAERP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(Br)cc1 ZINC000665285782 567615450 /nfs/dbraw/zinc/61/54/50/567615450.db2.gz WVVSDMLSOMBNRN-GOSISDBHSA-N 2 0 396.373 3.480 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000665285353 567616072 /nfs/dbraw/zinc/61/60/72/567616072.db2.gz KSSMZIBXPJKDBU-SFHVURJKSA-N 2 0 394.357 3.017 10 0 GGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000440701207 567641373 /nfs/dbraw/zinc/64/13/73/567641373.db2.gz IKVKTLNUSODBHI-YOEHRIQHSA-N 2 0 382.346 3.440 10 0 GGAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(I)cc1 ZINC000596655909 567646402 /nfs/dbraw/zinc/64/64/02/567646402.db2.gz ZNPBFHMXGPZRQW-KDOFPFPSSA-N 2 0 394.300 3.382 10 0 GGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc(I)cc1 ZINC000596651977 567647021 /nfs/dbraw/zinc/64/70/21/567647021.db2.gz DQFWMEJOXCEDGV-LBPRGKRZSA-N 2 0 395.288 3.347 10 0 GGAERP C[N@@H+]1CC[C@@H](NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1(C)C ZINC000623351283 567702862 /nfs/dbraw/zinc/70/28/62/567702862.db2.gz KLQFTCGDWWFRKJ-LLVKDONJSA-N 2 0 375.826 3.364 10 0 GGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442871380 567714083 /nfs/dbraw/zinc/71/40/83/567714083.db2.gz FWBOETMFEUNVCQ-CQSZACIVSA-N 2 0 386.353 3.135 10 0 GGAERP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953523 567715229 /nfs/dbraw/zinc/71/52/29/567715229.db2.gz AQPIDJCHIDVEBC-GOSISDBHSA-N 2 0 389.341 3.483 10 0 GGAERP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541630 567720314 /nfs/dbraw/zinc/72/03/14/567720314.db2.gz RCLGUWASVPMXIN-IRXDYDNUSA-N 2 0 383.374 3.371 10 0 GGAERP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623541900 567720573 /nfs/dbraw/zinc/72/05/73/567720573.db2.gz CPXHZEQFBCBFMA-RDJZCZTQSA-N 2 0 383.374 3.371 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542337 567721004 /nfs/dbraw/zinc/72/10/04/567721004.db2.gz WKHYSAZGQSOVJL-CABCVRRESA-N 2 0 387.337 3.202 10 0 GGAERP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623542230 567721032 /nfs/dbraw/zinc/72/10/32/567721032.db2.gz SCSNILHNECWLNA-YOEHRIQHSA-N 2 0 399.373 3.071 10 0 GGAERP COc1ccc(C[C@@H](CO)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541405 567721046 /nfs/dbraw/zinc/72/10/46/567721046.db2.gz HYXJNBMQWVENKH-CVEARBPZSA-N 2 0 399.373 3.071 10 0 GGAERP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623542227 567721065 /nfs/dbraw/zinc/72/10/65/567721065.db2.gz SCSNILHNECWLNA-PBHICJAKSA-N 2 0 399.373 3.071 10 0 GGAERP O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccsc3Br)cc2)C1 ZINC000623564204 567722468 /nfs/dbraw/zinc/72/24/68/567722468.db2.gz VRUXSWCKEGEKLS-INIZCTEOSA-N 2 0 381.339 3.367 10 0 GGAERP Cn1ccnc1CN1CCN(Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667601109 567759368 /nfs/dbraw/zinc/75/93/68/567759368.db2.gz RRYWWZBYTBRDCJ-UHFFFAOYSA-N 2 0 389.297 3.247 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccccc1Br ZINC000647901618 567805504 /nfs/dbraw/zinc/80/55/04/567805504.db2.gz RPERTQDCSYWEQN-ZBFHGGJFSA-N 2 0 380.330 3.242 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1F ZINC000647902025 567806183 /nfs/dbraw/zinc/80/61/83/567806183.db2.gz YUGZVIJDBMKWKX-CZUORRHYSA-N 2 0 398.320 3.381 10 0 GGAERP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccnc2)C[C@@H](C)O1 ZINC000237572822 570381253 /nfs/dbraw/zinc/38/12/53/570381253.db2.gz UUMRINVWULRCQU-QZTJIDSGSA-N 2 0 391.519 3.371 10 0 GGAERP Cc1nn(C)c2ncc(C[NH2+]Cc3ccccc3C[NH+]3C[C@H](C)O[C@@H](C)C3)cc12 ZINC000237779034 570395996 /nfs/dbraw/zinc/39/59/96/570395996.db2.gz IVONGRWHXSYKIS-IRXDYDNUSA-N 2 0 393.535 3.176 10 0 GGAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000072273611 570453767 /nfs/dbraw/zinc/45/37/67/570453767.db2.gz LQZDSQGEPHGXGZ-UHFFFAOYSA-N 2 0 375.488 3.431 10 0 GGAERP CCN(CC(=O)NCc1ccccc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072305033 570515463 /nfs/dbraw/zinc/51/54/63/570515463.db2.gz VAOCFFBPLOCPMN-QFIPXVFZSA-N 2 0 379.548 3.455 10 0 GGAERP Cc1cc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc(N2CC[NH+](C)CC2)c1 ZINC000252495563 570975292 /nfs/dbraw/zinc/97/52/92/570975292.db2.gz OTRIQIZUEWQZBC-FQEVSTJZSA-N 2 0 399.583 3.133 10 0 GGAERP OCC[NH+]1CCC(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000109071467 570996139 /nfs/dbraw/zinc/99/61/39/570996139.db2.gz QPJFPGXUEDDCKL-UHFFFAOYSA-N 2 0 382.552 3.019 10 0 GGAERP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051189703 1405740868 /nfs/dbraw/zinc/74/08/68/1405740868.db2.gz ICXRZXZODVBOFV-UHFFFAOYSA-N 2 0 399.558 3.276 10 0 GGAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(Br)s2)c1 ZINC000066994607 1408974600 /nfs/dbraw/zinc/97/46/00/1408974600.db2.gz BFBAMSFYVAENBS-UHFFFAOYSA-N 2 0 396.354 3.092 10 0 GGAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(OCC(N)=O)cc2)cc1 ZINC000067120760 1409013174 /nfs/dbraw/zinc/01/31/74/1409013174.db2.gz HLJWWXUGGCPELQ-SFHVURJKSA-N 2 0 381.520 3.215 10 0 GGAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000067120848 1409013410 /nfs/dbraw/zinc/01/34/10/1409013410.db2.gz DVTYRSDOXYPNAP-SFHVURJKSA-N 2 0 381.520 3.215 10 0 GGAERP Cc1cccc([C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)N2CCOCC2)c1 ZINC000069679738 1409674180 /nfs/dbraw/zinc/67/41/80/1409674180.db2.gz DCGIGKFHPCWYTM-DEOSSOPVSA-N 2 0 397.563 3.099 10 0 GGAERP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc(Br)c3)cc2)CC1 ZINC000069785260 1409698143 /nfs/dbraw/zinc/69/81/43/1409698143.db2.gz FZRPDUFBNIUABW-UHFFFAOYSA-N 2 0 388.353 3.486 10 0 GGAERP CCCOc1c(Cl)cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1OC ZINC000075762557 1409882689 /nfs/dbraw/zinc/88/26/89/1409882689.db2.gz CIMFAUUGMISJQL-UHFFFAOYSA-N 2 0 383.964 3.253 10 0 GGAERP CC(C)[C@H](C[NH2+]Cc1cccc(OCc2ccccn2)c1)N1CC[NH+](C)CC1 ZINC000075762902 1409882788 /nfs/dbraw/zinc/88/27/88/1409882788.db2.gz CQFOIZNAQJTZFP-QHCPKHFHSA-N 2 0 382.552 3.022 10 0 GGAERP CCCOc1c(Cl)cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1OC ZINC000075771671 1409883100 /nfs/dbraw/zinc/88/31/00/1409883100.db2.gz AZMCGOATKSOPJS-UHFFFAOYSA-N 2 0 383.964 3.253 10 0 GGAERP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccccc3)cc2)CC1 ZINC000105495623 1411072233 /nfs/dbraw/zinc/07/22/33/1411072233.db2.gz DNVGUSSTPWTMFJ-UHFFFAOYSA-N 2 0 376.504 3.323 10 0 GGAERP CC(C)[C@@H](C[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1)N1CC[NH+](C)CC1 ZINC000116334191 1412850629 /nfs/dbraw/zinc/85/06/29/1412850629.db2.gz HKMGJSKLGFCXGS-LJQANCHMSA-N 2 0 389.975 3.102 10 0 GGAERP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)OCCO4)cc2)C[C@H](C)O1 ZINC000119682988 1413530506 /nfs/dbraw/zinc/53/05/06/1413530506.db2.gz CJPADUVPXZIXRT-ROUUACIJSA-N 2 0 382.504 3.357 10 0 GGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000122152637 1414374918 /nfs/dbraw/zinc/37/49/18/1414374918.db2.gz CDESZMWORQDXOV-OALUTQOASA-N 2 0 377.529 3.162 10 0 GGAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](C)[C@@H](n4ccnc4)C3)cc2)CC1 ZINC000123407316 1414720700 /nfs/dbraw/zinc/72/07/00/1414720700.db2.gz CTDPOZHFPCWLHQ-KNQAVFIVSA-N 2 0 395.551 3.137 10 0 GGAERP COc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccccc12 ZINC000126051742 1415345270 /nfs/dbraw/zinc/34/52/70/1415345270.db2.gz GRCLMOIHPIYGAB-UHFFFAOYSA-N 2 0 376.504 3.285 10 0 GGAERP CCCOc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)ccc1OC ZINC000126052678 1415345376 /nfs/dbraw/zinc/34/53/76/1415345376.db2.gz GXERDTBSZCJAKB-UHFFFAOYSA-N 2 0 375.557 3.132 10 0 GGAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cccc(-c3ccccn3)c2)c1 ZINC000127575031 1415812712 /nfs/dbraw/zinc/81/27/12/1415812712.db2.gz GDULSYYYRLEQOM-UHFFFAOYSA-N 2 0 388.515 3.330 10 0 GGAERP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000128284958 1415954994 /nfs/dbraw/zinc/95/49/94/1415954994.db2.gz STNUIPXGIPHKOI-HNNXBMFYSA-N 2 0 397.445 3.307 10 0 GGAERP C[NH+]1CCC(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000128621220 1416027333 /nfs/dbraw/zinc/02/73/33/1416027333.db2.gz MCHGQFOURPARDM-UHFFFAOYSA-N 2 0 392.547 3.289 10 0 GGAERP c1cnn(-c2cc(C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)ccn2)c1 ZINC000128822217 1416077848 /nfs/dbraw/zinc/07/78/48/1416077848.db2.gz GMPPWEMVDOBJBV-UHFFFAOYSA-N 2 0 377.492 3.032 10 0 GGAERP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000136591979 1417330382 /nfs/dbraw/zinc/33/03/82/1417330382.db2.gz HYZDGEDBUMTMAM-MOPGFXCFSA-N 2 0 386.458 3.485 10 0 GGAERP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000136599592 1417331517 /nfs/dbraw/zinc/33/15/17/1417331517.db2.gz BWGVTWKVEKZQBU-NHCUHLMSSA-N 2 0 382.508 3.126 10 0 GGAERP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(F)cc(C(F)(F)F)c3)ccn2)CC1 ZINC000162049984 1424811973 /nfs/dbraw/zinc/81/19/73/1424811973.db2.gz AFYGQMAAVHFUOR-UHFFFAOYSA-N 2 0 382.405 3.281 10 0 GGAERP C[NH+](C)CCOc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000162525468 1424861888 /nfs/dbraw/zinc/86/18/88/1424861888.db2.gz GDBQBSQMPJQVBX-UHFFFAOYSA-N 2 0 398.507 3.294 10 0 GGAERP COC[C@@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1ccc(OC)c(OC)c1)CC2 ZINC000169782609 1425255817 /nfs/dbraw/zinc/25/58/17/1425255817.db2.gz IZVZFMVGMHRTPQ-IBGZPJMESA-N 2 0 388.552 3.417 10 0 GGAERP COC[C@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1ccc(OC)c(OC)c1)CC2 ZINC000169782610 1425255899 /nfs/dbraw/zinc/25/58/99/1425255899.db2.gz IZVZFMVGMHRTPQ-LJQANCHMSA-N 2 0 388.552 3.417 10 0 GGAERP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245808888 1433520583 /nfs/dbraw/zinc/52/05/83/1433520583.db2.gz BXASEDOWLBMWTF-OTWHNJEPSA-N 2 0 380.536 3.431 10 0 GGAERP CN(C(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)[C@@H]1CCCc2ccccc21 ZINC000246126486 1433572003 /nfs/dbraw/zinc/57/20/03/1433572003.db2.gz LVLBREYSOIIBJK-GHTZIAJQSA-N 2 0 378.520 3.351 10 0 GGAERP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C(C)C)cc1 ZINC000246924239 1433687790 /nfs/dbraw/zinc/68/77/90/1433687790.db2.gz BSDURJYCWWXUGE-UCNVEGJOSA-N 2 0 384.524 3.288 10 0 GGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000680121101 1126105561 /nfs/dbraw/zinc/10/55/61/1126105561.db2.gz QYMJUBHYXDSRSS-RBUKOAKNSA-N 2 0 390.409 3.200 10 0 GGAERP O[C@@H](COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1)C[NH+]1CCCCC1 ZINC000019224840 210233703 /nfs/dbraw/zinc/23/37/03/210233703.db2.gz VQEOMVMGTWGEAX-HSZRJFAPSA-N 2 0 380.532 3.169 10 0 GGAERP O[C@H](COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1)C[NH+]1CCCCC1 ZINC000019224841 210233741 /nfs/dbraw/zinc/23/37/41/210233741.db2.gz VQEOMVMGTWGEAX-QHCPKHFHSA-N 2 0 380.532 3.169 10 0 GGAERP COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000014953965 210134627 /nfs/dbraw/zinc/13/46/27/210134627.db2.gz XWSFXYWUAIINEU-NRFANRHFSA-N 2 0 384.520 3.129 10 0 GGAERP O=C(C1CC[NH+](Cc2ccco2)CC1)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000014951654 210131815 /nfs/dbraw/zinc/13/18/15/210131815.db2.gz NOFUZLQHRIZOSM-HSZRJFAPSA-N 2 0 385.552 3.216 10 0 GGAERP COc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013736602 210085771 /nfs/dbraw/zinc/08/57/71/210085771.db2.gz ZSZHPZXAGPEXLV-UHFFFAOYSA-N 2 0 397.519 3.110 10 0 GGAERP C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccc(F)cc1)CC3 ZINC000096062588 211298508 /nfs/dbraw/zinc/29/85/08/211298508.db2.gz SZWFYYVVAOSJCN-XUZZJYLKSA-N 2 0 399.554 3.372 10 0 GGAERP CC(C)[C@@H](NC(=O)C[N@H+](C)C(C)C)c1ccccc1NC(=O)C[NH+](C)C(C)C ZINC000095976322 211290639 /nfs/dbraw/zinc/29/06/39/211290639.db2.gz OQDUVTYCJXGWNF-JOCHJYFZSA-N 2 0 390.572 3.119 10 0 GGAERP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000095452456 211242140 /nfs/dbraw/zinc/24/21/40/211242140.db2.gz BXXRRMJKRKGQLS-VQTJNVASSA-N 2 0 389.584 3.323 10 0 GGAERP COc1cc2c(cc1CCC[NH+](C)C)[C@@H](c1cnc3ccccc3n1)[NH2+]CC2 ZINC000038805250 210757809 /nfs/dbraw/zinc/75/78/09/210757809.db2.gz FRPQTCSYMUOBCL-QHCPKHFHSA-N 2 0 376.504 3.368 10 0 GGAERP C[NH+]1CCC(N2CC[N@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]2CCO)CC1 ZINC000020993387 210372421 /nfs/dbraw/zinc/37/24/21/210372421.db2.gz QUNSGWRZDUBGKM-VWLOTQADSA-N 2 0 393.575 3.316 10 0 GGAERP O[C@@H](COc1cccc(C[NH2+]CCc2ccncc2)c1)C[NH+]1CCCCCC1 ZINC000020208057 210321816 /nfs/dbraw/zinc/32/18/16/210321816.db2.gz PVHNSJXLVKTTPZ-JOCHJYFZSA-N 2 0 383.536 3.030 10 0 GGAERP CC[NH+]1CCN(c2cc(C[NH2+][C@@H](C)c3ccccc3-n3cccn3)ccn2)CC1 ZINC000095407529 136179034 /nfs/dbraw/zinc/17/90/34/136179034.db2.gz JPYOEWODUICNCI-IBGZPJMESA-N 2 0 390.535 3.260 10 0 GGAERP C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000056522991 564650082 /nfs/dbraw/zinc/65/00/82/564650082.db2.gz HIISOFDUKSDJEI-HNNXBMFYSA-N 2 0 375.340 3.397 10 0 GGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2cc(Cl)ccc2Cl)CC1 ZINC000106125969 564979308 /nfs/dbraw/zinc/97/93/08/564979308.db2.gz LPRPUXBSVFBBBU-CQSZACIVSA-N 2 0 375.340 3.397 10 0 GGAERP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000369927547 565118459 /nfs/dbraw/zinc/11/84/59/565118459.db2.gz NDLJWDJVZDSRQI-QFBILLFUSA-N 2 0 383.627 3.322 10 0 GGAERP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000369927546 565118605 /nfs/dbraw/zinc/11/86/05/565118605.db2.gz NDLJWDJVZDSRQI-LPHOPBHVSA-N 2 0 383.627 3.322 10 0 GGAERP C[C@@H](C[NH2+][C@@H]1CCc2c1ccc(F)c2Br)CN1CC[NH+](C)CC1 ZINC000295174410 565248853 /nfs/dbraw/zinc/24/88/53/565248853.db2.gz LWJMRSRKVCOHNC-SUMWQHHRSA-N 2 0 384.337 3.049 10 0 GGAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000295423105 565265565 /nfs/dbraw/zinc/26/55/65/565265565.db2.gz OBDGNOHEMCXEBT-GUYCJALGSA-N 2 0 384.337 3.191 10 0 GGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000170941874 565399473 /nfs/dbraw/zinc/39/94/73/565399473.db2.gz QIIMWCQASHHQAJ-CYBMUJFWSA-N 2 0 376.875 3.466 10 0 GGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000298720000 565426250 /nfs/dbraw/zinc/42/62/50/565426250.db2.gz UPHFFYXPJHWYCX-RHSMWYFYSA-N 2 0 382.346 3.440 10 0 GGAERP COc1cc(Br)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000321955699 565608214 /nfs/dbraw/zinc/60/82/14/565608214.db2.gz HSMITTXHVFFVGX-BBRMVZONSA-N 2 0 383.330 3.430 10 0 GGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3cccc(Br)c3C2)CC1 ZINC000192743000 565707828 /nfs/dbraw/zinc/70/78/28/565707828.db2.gz MHPGAHHBKBPNLE-UHFFFAOYSA-N 2 0 380.374 3.223 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000414074313 565892129 /nfs/dbraw/zinc/89/21/29/565892129.db2.gz OALXWNVEKOFHJO-CVEARBPZSA-N 2 0 384.362 3.244 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000414103863 565895486 /nfs/dbraw/zinc/89/54/86/565895486.db2.gz DYTWRTXWYMLTNK-BZUAXINKSA-N 2 0 396.373 3.242 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000414103870 565895958 /nfs/dbraw/zinc/89/59/58/565895958.db2.gz DYTWRTXWYMLTNK-OWCLPIDISA-N 2 0 396.373 3.242 10 0 GGAERP C[C@@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000178689325 565934324 /nfs/dbraw/zinc/93/43/24/565934324.db2.gz ZUOMOQSRDBIZSV-YJBOKZPZSA-N 2 0 396.373 3.136 10 0 GGAERP CCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1ccccc1Br ZINC000414733375 565957916 /nfs/dbraw/zinc/95/79/16/565957916.db2.gz ATKJOJSSRJSULE-HOTGVXAUSA-N 2 0 396.373 3.419 10 0 GGAERP FC1(F)CC[NH2+]C[C@H]1NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000414992786 565968325 /nfs/dbraw/zinc/96/83/25/565968325.db2.gz BSVPWXAHQOEYBZ-MRXNPFEDSA-N 2 0 388.300 3.000 10 0 GGAERP CSc1cc(Br)ccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415057636 565971680 /nfs/dbraw/zinc/97/16/80/565971680.db2.gz RWQXHNCIKYVCIY-UHFFFAOYSA-N 2 0 398.414 3.477 10 0 GGAERP Clc1ccc(Br)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415053258 565972048 /nfs/dbraw/zinc/97/20/48/565972048.db2.gz MGIMVMWKWYCTHS-UHFFFAOYSA-N 2 0 386.765 3.409 10 0 GGAERP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC000415080212 565973505 /nfs/dbraw/zinc/97/35/05/565973505.db2.gz YIIVKZPAXPTRRA-KRWDZBQOSA-N 2 0 394.357 3.094 10 0 GGAERP COc1sc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1Br ZINC000179515781 565986243 /nfs/dbraw/zinc/98/62/43/565986243.db2.gz GCICOSASYXKXLU-LBPRGKRZSA-N 2 0 391.375 3.044 10 0 GGAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000245416069 565988472 /nfs/dbraw/zinc/98/84/72/565988472.db2.gz DVTMKHMTYHIZGS-WMLDXEAASA-N 2 0 382.346 3.358 10 0 GGAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000245614176 565998593 /nfs/dbraw/zinc/99/85/93/565998593.db2.gz CLUINTGQHDSLSZ-VQIMIIECSA-N 2 0 386.367 3.129 10 0 GGAERP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000179700509 566001681 /nfs/dbraw/zinc/00/16/81/566001681.db2.gz SIZYDEGBFBFQER-SFHVURJKSA-N 2 0 399.373 3.243 10 0 GGAERP C[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000180092591 566031444 /nfs/dbraw/zinc/03/14/44/566031444.db2.gz LIRQARRFRTWKIJ-HNAYVOBHSA-N 2 0 380.374 3.373 10 0 GGAERP C[C@@]1(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)CC[NH2+]C1 ZINC000262035791 566144359 /nfs/dbraw/zinc/14/43/59/566144359.db2.gz ONXGVGRBYJIRDE-GOSISDBHSA-N 2 0 380.330 3.099 10 0 GGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCc2ccccc2Br)CC1 ZINC000181831495 566166898 /nfs/dbraw/zinc/16/68/98/566166898.db2.gz SQNZOJZWAYRBPF-INIZCTEOSA-N 2 0 383.374 3.406 10 0 GGAERP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCC[NH3+] ZINC000418308929 566209232 /nfs/dbraw/zinc/20/92/32/566209232.db2.gz HGYWIRBWKWEKEI-UHFFFAOYSA-N 2 0 375.344 3.196 10 0 GGAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000418716209 566220484 /nfs/dbraw/zinc/22/04/84/566220484.db2.gz ZNBLVMRFTJXVBB-OLZOCXBDSA-N 2 0 375.344 3.192 10 0 GGAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418707466 566220516 /nfs/dbraw/zinc/22/05/16/566220516.db2.gz TWZCOIDBAFZBIB-ZIAGYGMSSA-N 2 0 387.355 3.337 10 0 GGAERP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000556155182 566272134 /nfs/dbraw/zinc/27/21/34/566272134.db2.gz XAVYDIQRPHTZNE-QGZVFWFLSA-N 2 0 384.337 3.193 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc(Br)c1 ZINC000420397675 566275379 /nfs/dbraw/zinc/27/53/79/566275379.db2.gz MTZHEUDJBWUPTD-YOEHRIQHSA-N 2 0 380.330 3.242 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420395585 566275866 /nfs/dbraw/zinc/27/58/66/566275866.db2.gz LKCNFCKQLQWJPT-DYVFJYSZSA-N 2 0 398.320 3.381 10 0 GGAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4c3ccc(F)c4Br)C2)CC1 ZINC000648450630 566286730 /nfs/dbraw/zinc/28/67/30/566286730.db2.gz XFRSMNURBSDZRE-SCLBCKFNSA-N 2 0 396.348 3.334 10 0 GGAERP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4c3ccc(F)c4Br)C2)CC1 ZINC000648450629 566287285 /nfs/dbraw/zinc/28/72/85/566287285.db2.gz XFRSMNURBSDZRE-FZKQIMNGSA-N 2 0 396.348 3.334 10 0 GGAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccccc1I ZINC000482241775 566296459 /nfs/dbraw/zinc/29/64/59/566296459.db2.gz JFVGFAURTGPOAA-UONOGXRCSA-N 2 0 388.293 3.053 10 0 GGAERP CC(C)C[C@H]([NH2+][C@@H]1CCc2ccc(Br)cc21)C(=O)NCC[NH+](C)C ZINC000510731511 566408532 /nfs/dbraw/zinc/40/85/32/566408532.db2.gz FVWZMWXBEVJBQQ-MSOLQXFVSA-N 2 0 396.373 3.119 10 0 GGAERP CC(C)[NH2+]CCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627071164 566462299 /nfs/dbraw/zinc/46/22/99/566462299.db2.gz LAYZQOHHCRUUKW-MRXNPFEDSA-N 2 0 375.344 3.283 10 0 GGAERP C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000627067362 566462412 /nfs/dbraw/zinc/46/24/12/566462412.db2.gz AGDMUOUIJAMVTK-RVSPLBMKSA-N 2 0 387.355 3.283 10 0 GGAERP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000422871248 566463260 /nfs/dbraw/zinc/46/32/60/566463260.db2.gz CTKOIMTWNADYML-UXUKBGGZSA-N 2 0 376.854 3.440 10 0 GGAERP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000422871213 566463615 /nfs/dbraw/zinc/46/36/15/566463615.db2.gz CTKOIMTWNADYML-UBHUBRDASA-N 2 0 376.854 3.440 10 0 GGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000422921305 566464768 /nfs/dbraw/zinc/46/47/68/566464768.db2.gz PNGLKEGJWOFYDA-BXUZGUMPSA-N 2 0 387.307 3.338 10 0 GGAERP C[C@H](CCCC[NH3+])NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627093264 566464939 /nfs/dbraw/zinc/46/49/39/566464939.db2.gz LBWPDKFODKXZBV-MLGOLLRUSA-N 2 0 375.344 3.413 10 0 GGAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422877400 566465837 /nfs/dbraw/zinc/46/58/37/566465837.db2.gz RINHGHVXOCMFSC-OSAQELSMSA-N 2 0 376.854 3.310 10 0 GGAERP COc1cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc(Br)c1OC ZINC000422935347 566467239 /nfs/dbraw/zinc/46/72/39/566467239.db2.gz ADLSOMVRHQLGRK-NSHDSACASA-N 2 0 394.313 3.479 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(Cl)c1 ZINC000627126704 566467662 /nfs/dbraw/zinc/46/76/62/566467662.db2.gz JAWCUMYAOIPDDF-HOTGVXAUSA-N 2 0 385.339 3.180 10 0 GGAERP Clc1ccc(-c2nc(CC[NH2+][C@H](C3CC3)[C@H]3CNCCO3)cs2)cc1 ZINC000423018021 566468964 /nfs/dbraw/zinc/46/89/64/566468964.db2.gz XXPZHWFIHFQVIO-QZTJIDSGSA-N 2 0 377.941 3.363 10 0 GGAERP Clc1ccc(-c2nc(CC[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)cs2)cc1 ZINC000423018022 566469909 /nfs/dbraw/zinc/46/99/09/566469909.db2.gz XXPZHWFIHFQVIO-ROUUACIJSA-N 2 0 377.941 3.363 10 0 GGAERP Cc1cc(N2CCC[C@H]([NH2+]C3CCC(C[NH3+])CC3)C2=O)ccc1Br ZINC000423046650 566470472 /nfs/dbraw/zinc/47/04/72/566470472.db2.gz FOVPLTMOMLTXEP-JMLCCBQJSA-N 2 0 394.357 3.360 10 0 GGAERP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707266 566472181 /nfs/dbraw/zinc/47/21/81/566472181.db2.gz BXOJEPJTXTVDSR-OWQGQXMQSA-N 2 0 383.330 3.176 10 0 GGAERP CCCN(C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000627219929 566472564 /nfs/dbraw/zinc/47/25/64/566472564.db2.gz JEDYFEBFLPCWBH-WMLDXEAASA-N 2 0 387.355 3.380 10 0 GGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000423069748 566473045 /nfs/dbraw/zinc/47/30/45/566473045.db2.gz BSXBAALMYJRGAB-DZGCQCFKSA-N 2 0 392.341 3.113 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627220059 566473117 /nfs/dbraw/zinc/47/31/17/566473117.db2.gz KILMHVSVIMXBQS-PBHICJAKSA-N 2 0 385.339 3.132 10 0 GGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)cc3c2OCC3)C1 ZINC000650723017 566473114 /nfs/dbraw/zinc/47/31/14/566473114.db2.gz GHPRSYSNNNDSDP-KZNAEPCWSA-N 2 0 395.341 3.245 10 0 GGAERP COc1ccc(Br)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650721829 566473467 /nfs/dbraw/zinc/47/34/67/566473467.db2.gz CJJLYHTWZVYDPH-NUJGCVRESA-N 2 0 383.330 3.319 10 0 GGAERP COc1c(Br)cccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723356 566473799 /nfs/dbraw/zinc/47/37/99/566473799.db2.gz MHMNJWPCWKOCRH-USXIJHARSA-N 2 0 383.330 3.319 10 0 GGAERP COc1ccc(Br)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650721827 566473930 /nfs/dbraw/zinc/47/39/30/566473930.db2.gz CJJLYHTWZVYDPH-JZXOWHBKSA-N 2 0 383.330 3.319 10 0 GGAERP COc1c(Br)cccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723354 566474288 /nfs/dbraw/zinc/47/42/88/566474288.db2.gz MHMNJWPCWKOCRH-OIISXLGYSA-N 2 0 383.330 3.319 10 0 GGAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000423133474 566477502 /nfs/dbraw/zinc/47/75/02/566477502.db2.gz KRVFWUPZZRGSLV-CYBMUJFWSA-N 2 0 375.738 3.478 10 0 GGAERP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423502445 566491092 /nfs/dbraw/zinc/49/10/92/566491092.db2.gz CPJNWCFTSCNAJU-WTNGLUPJSA-N 2 0 396.348 3.382 10 0 GGAERP Brc1ccc2c(c1)CC[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)C2 ZINC000423499450 566491328 /nfs/dbraw/zinc/49/13/28/566491328.db2.gz AYFNAKBBKZYJTB-GPJFCIFZSA-N 2 0 392.385 3.112 10 0 GGAERP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519366 566492082 /nfs/dbraw/zinc/49/20/82/566492082.db2.gz PRFPZHDSFLPHHS-TVPLGVNVSA-N 2 0 378.358 3.242 10 0 GGAERP Brc1cccc2c1CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423526930 566492515 /nfs/dbraw/zinc/49/25/15/566492515.db2.gz ZZYHTXWRXNMIKE-ZOJXTTQQSA-N 2 0 378.358 3.242 10 0 GGAERP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1Br ZINC000423522290 566492642 /nfs/dbraw/zinc/49/26/42/566492642.db2.gz UNZNHZNASBMUEM-JEYLPNPQSA-N 2 0 384.337 3.455 10 0 GGAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423525928 566493092 /nfs/dbraw/zinc/49/30/92/566493092.db2.gz YVBHMKFJIAFVFU-WMLDXEAASA-N 2 0 378.314 3.069 10 0 GGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449080798 566528219 /nfs/dbraw/zinc/52/82/19/566528219.db2.gz ZHVLPMSYFLCOIU-DYVFJYSZSA-N 2 0 384.337 3.191 10 0 GGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449128770 566531579 /nfs/dbraw/zinc/53/15/79/566531579.db2.gz AONKCUADLVRLOM-RDTXWAMCSA-N 2 0 398.364 3.439 10 0 GGAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449129078 566531608 /nfs/dbraw/zinc/53/16/08/566531608.db2.gz BIWOUZVGDZSCFT-GOSISDBHSA-N 2 0 398.364 3.439 10 0 GGAERP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449129079 566531861 /nfs/dbraw/zinc/53/18/61/566531861.db2.gz BIWOUZVGDZSCFT-SFHVURJKSA-N 2 0 398.364 3.439 10 0 GGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449128769 566532046 /nfs/dbraw/zinc/53/20/46/566532046.db2.gz AONKCUADLVRLOM-KSSFIOAISA-N 2 0 398.364 3.439 10 0 GGAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449218284 566537319 /nfs/dbraw/zinc/53/73/19/566537319.db2.gz GZDDPDPNIZCESJ-KRWDZBQOSA-N 2 0 384.337 3.193 10 0 GGAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000466671258 566590756 /nfs/dbraw/zinc/59/07/56/566590756.db2.gz URECXGPXJLJDEQ-ZDUSSCGKSA-N 2 0 388.343 3.268 10 0 GGAERP CC[NH+](CC)CCSCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425075455 566601253 /nfs/dbraw/zinc/60/12/53/566601253.db2.gz DJXUQFXTEKIERR-UHFFFAOYSA-N 2 0 384.615 3.313 10 0 GGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOc2ccccc2Br)C1 ZINC000652364013 566604579 /nfs/dbraw/zinc/60/45/79/566604579.db2.gz VCNHZXABEWIWIE-KYJSFNMBSA-N 2 0 383.330 3.189 10 0 GGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc(Br)cc2)C1 ZINC000652360193 566605973 /nfs/dbraw/zinc/60/59/73/566605973.db2.gz CLPHRPCBHHNLBD-BPQIPLTHSA-N 2 0 383.330 3.189 10 0 GGAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300122 566641677 /nfs/dbraw/zinc/64/16/77/566641677.db2.gz YYTWWNIFZRWQII-SJLPKXTDSA-N 2 0 394.357 3.077 10 0 GGAERP COc1cc(Br)ccc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000514238251 566648429 /nfs/dbraw/zinc/64/84/29/566648429.db2.gz QUHPOOHJGVCOBI-GJZGRUSLSA-N 2 0 385.346 3.437 10 0 GGAERP COc1cc(Br)ccc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514238250 566648455 /nfs/dbraw/zinc/64/84/55/566648455.db2.gz QUHPOOHJGVCOBI-GASCZTMLSA-N 2 0 385.346 3.437 10 0 GGAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000514600357 566655850 /nfs/dbraw/zinc/65/58/50/566655850.db2.gz UZDHNOHGYFIOHZ-MRXNPFEDSA-N 2 0 375.340 3.445 10 0 GGAERP [NH3+]CCC1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000580081937 566663632 /nfs/dbraw/zinc/66/36/32/566663632.db2.gz JIOXZOOFLUTBRU-UHFFFAOYSA-N 2 0 388.293 3.121 10 0 GGAERP [NH3+]C1(C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CCOCC1 ZINC000629521801 566664430 /nfs/dbraw/zinc/66/44/30/566664430.db2.gz UQYBAQBUYCDFSP-INIZCTEOSA-N 2 0 378.314 3.405 10 0 GGAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000629529024 566664696 /nfs/dbraw/zinc/66/46/96/566664696.db2.gz PMHQHBMCSXLWKK-JTQLQIEISA-N 2 0 380.124 3.098 10 0 GGAERP [NH3+]C1(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCOCC1 ZINC000629525571 566664733 /nfs/dbraw/zinc/66/47/33/566664733.db2.gz WTMLRLIQXAZQSA-KRWDZBQOSA-N 2 0 383.330 3.014 10 0 GGAERP CC(C)C[C@H]([NH2+][C@H](C)c1sccc1Br)C(=O)NCC[NH+](C)C ZINC000540746645 566669742 /nfs/dbraw/zinc/66/97/42/566669742.db2.gz WTLCXROHCACHNM-OCCSQVGLSA-N 2 0 390.391 3.254 10 0 GGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000676703708 566705416 /nfs/dbraw/zinc/70/54/16/566705416.db2.gz TYVBBHIGBDQXJD-LBTNJELSSA-N 2 0 375.340 3.395 10 0 GGAERP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2ccc(Br)cc2F)CC1 ZINC000468561978 566710046 /nfs/dbraw/zinc/71/00/46/566710046.db2.gz XTGGKJKBAZNAEN-CQSZACIVSA-N 2 0 387.337 3.344 10 0 GGAERP CC[NH+]1CCN(CCCC[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631040956 566771533 /nfs/dbraw/zinc/77/15/33/566771533.db2.gz GZFOAHCCRKIQLM-UHFFFAOYSA-N 2 0 389.769 3.005 10 0 GGAERP C[C@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)C1CC[NH+](C)CC1 ZINC000678596467 566807177 /nfs/dbraw/zinc/80/71/77/566807177.db2.gz VJGLENMBJUWPTR-LBPRGKRZSA-N 2 0 378.318 3.054 10 0 GGAERP Cc1c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1cccc(Br)c1 ZINC000655805654 566851890 /nfs/dbraw/zinc/85/18/90/566851890.db2.gz JUAZXDCVGQELBQ-RVSPLBMKSA-N 2 0 392.345 3.329 10 0 GGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000655805221 566851964 /nfs/dbraw/zinc/85/19/64/566851964.db2.gz LDGKEHARPHAFQM-RHNCMZPLSA-N 2 0 380.374 3.343 10 0 GGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000655824146 566852553 /nfs/dbraw/zinc/85/25/53/566852553.db2.gz GMDDZXTZCMFFNE-AOOOYVTPSA-N 2 0 377.124 3.036 10 0 GGAERP FC(F)Oc1ccc(Br)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563135880 566858109 /nfs/dbraw/zinc/85/81/09/566858109.db2.gz VSQKPLNSTRNQJC-TXEJJXNPSA-N 2 0 375.257 3.482 10 0 GGAERP Brc1ccc2ncc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2c1 ZINC000656785190 566950436 /nfs/dbraw/zinc/95/04/36/566950436.db2.gz KJUHQBINMUAETG-HNNXBMFYSA-N 2 0 377.330 3.308 10 0 GGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000471595596 566963938 /nfs/dbraw/zinc/96/39/38/566963938.db2.gz IKSBNXIRQDARGL-CABCVRRESA-N 2 0 386.353 3.135 10 0 GGAERP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000544831287 566998857 /nfs/dbraw/zinc/99/88/57/566998857.db2.gz XBTJRFBYOQYCND-UHFFFAOYSA-N 2 0 396.373 3.294 10 0 GGAERP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000564847247 567013204 /nfs/dbraw/zinc/01/32/04/567013204.db2.gz ZEWLKVIGGDBKQP-HNNXBMFYSA-N 2 0 375.340 3.443 10 0 GGAERP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2c(F)cncc2Br)cc1 ZINC000657351221 567050129 /nfs/dbraw/zinc/05/01/29/567050129.db2.gz MQRZMUJPAGTBDE-UHFFFAOYSA-N 2 0 396.304 3.256 10 0 GGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c(I)c2)C1 ZINC000453057907 567051307 /nfs/dbraw/zinc/05/13/07/567051307.db2.gz FZPIWMSRVFLZTL-VXGBXAGGSA-N 2 0 376.257 3.423 10 0 GGAERP CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000657527641 567065573 /nfs/dbraw/zinc/06/55/73/567065573.db2.gz WYQNAEMLVDBUJO-QGZVFWFLSA-N 2 0 396.373 3.248 10 0 GGAERP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cnc3c(C)cc(Br)cn23)C1 ZINC000657577077 567073205 /nfs/dbraw/zinc/07/32/05/567073205.db2.gz OKXCFHTUWLRGGA-XKQJLSEDSA-N 2 0 396.329 3.061 10 0 GGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(Br)ccc3F)cc2)C1 ZINC000657593535 567074350 /nfs/dbraw/zinc/07/43/50/567074350.db2.gz AHRIEGAWPUCGCY-GOSISDBHSA-N 2 0 393.300 3.445 10 0 GGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(Br)cs3)cc2)C1 ZINC000657594614 567074848 /nfs/dbraw/zinc/07/48/48/567074848.db2.gz JBLPZGYQWJOLFE-INIZCTEOSA-N 2 0 381.339 3.367 10 0 GGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(Br)ccc3F)cc2)C1 ZINC000657593539 567074983 /nfs/dbraw/zinc/07/49/83/567074983.db2.gz AHRIEGAWPUCGCY-SFHVURJKSA-N 2 0 393.300 3.445 10 0 GGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(F)cc(Br)c3)cc2)C1 ZINC000657595115 567075083 /nfs/dbraw/zinc/07/50/83/567075083.db2.gz FKTXHMXZOWLXGE-IBGZPJMESA-N 2 0 393.300 3.445 10 0 GGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)cc3F)cc2)C1 ZINC000657593993 567075456 /nfs/dbraw/zinc/07/54/56/567075456.db2.gz GAUSMLYKXUNWBW-GOSISDBHSA-N 2 0 393.300 3.445 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)[C@@H]2CCC[C@H]21 ZINC000453337211 567075782 /nfs/dbraw/zinc/07/57/82/567075782.db2.gz ASGAZJVNAXVXEL-LVFSCSRESA-N 2 0 399.348 3.202 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)[C@H]2CCC[C@@H]21 ZINC000453337210 567075973 /nfs/dbraw/zinc/07/59/73/567075973.db2.gz ASGAZJVNAXVXEL-LTDCPUDJSA-N 2 0 399.348 3.202 10 0 GGAERP CC1=CCN(CC[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000545866273 567080790 /nfs/dbraw/zinc/08/07/90/567080790.db2.gz UFYIOMKIUKIZQG-HNNXBMFYSA-N 2 0 380.330 3.408 10 0 GGAERP COc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc(Br)c1O ZINC000657811773 567098203 /nfs/dbraw/zinc/09/82/03/567098203.db2.gz FNRZPFBJAPSUCD-UHFFFAOYSA-N 2 0 383.330 3.375 10 0 GGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140622 567123856 /nfs/dbraw/zinc/12/38/56/567123856.db2.gz VNODHFDKAYLBER-LIRRHRJNSA-N 2 0 390.325 3.262 10 0 GGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)cn1 ZINC000658141087 567124032 /nfs/dbraw/zinc/12/40/32/567124032.db2.gz WEWNCWNWZSWAHK-KSSFIOAISA-N 2 0 390.325 3.262 10 0 GGAERP Cc1cc(Br)cc2c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)coc21 ZINC000547785854 567246383 /nfs/dbraw/zinc/24/63/83/567246383.db2.gz RWKLOEXUMWWLGE-UHFFFAOYSA-N 2 0 396.329 3.069 10 0 GGAERP Ic1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000591579215 567286458 /nfs/dbraw/zinc/28/64/58/567286458.db2.gz BHAIUDQRCQMQOS-HOCLYGCPSA-N 2 0 398.288 3.237 10 0 GGAERP Ic1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000591579218 567287083 /nfs/dbraw/zinc/28/70/83/567287083.db2.gz BHAIUDQRCQMQOS-ZBFHGGJFSA-N 2 0 398.288 3.237 10 0 GGAERP CC[C@@H]1C[N@H+](CCCOc2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000592427603 567338170 /nfs/dbraw/zinc/33/81/70/567338170.db2.gz HAJIJCRIPVPUOU-CJNGLKHVSA-N 2 0 388.293 3.119 10 0 GGAERP COCCN1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527654967 567356220 /nfs/dbraw/zinc/35/62/20/567356220.db2.gz VKTCWLSCBJUUQG-CYBMUJFWSA-N 2 0 399.358 3.101 10 0 GGAERP O[C@@H]1CC[N@@H+](C2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)C1 ZINC000662159407 567414504 /nfs/dbraw/zinc/41/45/04/567414504.db2.gz ZUFTUGJKPURYOO-PJXRAHGQSA-N 2 0 379.342 3.383 10 0 GGAERP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCSc2ccc(Br)cc21 ZINC000662258905 567421673 /nfs/dbraw/zinc/42/16/73/567421673.db2.gz XXIYKWCYTAVHLB-HIFRSBDPSA-N 2 0 383.355 3.439 10 0 GGAERP COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255204 567422796 /nfs/dbraw/zinc/42/27/96/567422796.db2.gz BCPVBNADHVJMPG-HOCLYGCPSA-N 2 0 381.314 3.116 10 0 GGAERP [NH3+]C/C=C\CNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000641865367 567459058 /nfs/dbraw/zinc/45/90/58/567459058.db2.gz UMGUZMUNCTUXFH-UPHRSURJSA-N 2 0 385.339 3.116 10 0 GGAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sc3c(c2Br)CNC3)C[C@H]1C ZINC000662743901 567460414 /nfs/dbraw/zinc/46/04/14/567460414.db2.gz WZXTUZKPQNZWEZ-GHMZBOCLSA-N 2 0 386.359 3.059 10 0 GGAERP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)c(I)c1 ZINC000594513033 567484107 /nfs/dbraw/zinc/48/41/07/567484107.db2.gz ZOMHQEVYWDQOSW-WZRBSPASSA-N 2 0 376.257 3.421 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000529390295 567511195 /nfs/dbraw/zinc/51/11/95/567511195.db2.gz YLNXCBCMHVNIKY-GUYCJALGSA-N 2 0 387.355 3.367 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000529390293 567511217 /nfs/dbraw/zinc/51/12/17/567511217.db2.gz YLNXCBCMHVNIKY-CXAGYDPISA-N 2 0 387.355 3.367 10 0 GGAERP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000529380768 567511284 /nfs/dbraw/zinc/51/12/84/567511284.db2.gz ARGUOEWKEADTFD-SUMWQHHRSA-N 2 0 387.355 3.237 10 0 GGAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000529388652 567511766 /nfs/dbraw/zinc/51/17/66/567511766.db2.gz SODCISDACCZEJH-DXCKQFNASA-N 2 0 387.355 3.365 10 0 GGAERP CC[C@@H]1CN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000529380779 567511789 /nfs/dbraw/zinc/51/17/89/567511789.db2.gz AXQRPQGVTBDGDJ-JLZZUVOBSA-N 2 0 387.355 3.365 10 0 GGAERP CC[C@@H]1CN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000529380780 567511838 /nfs/dbraw/zinc/51/18/38/567511838.db2.gz AXQRPQGVTBDGDJ-OAUYIBNBSA-N 2 0 387.355 3.365 10 0 GGAERP Brc1ccc(OCc2ccccn2)c(CNCC23CC(C2)C[NH2+]3)c1 ZINC000663498576 567512078 /nfs/dbraw/zinc/51/20/78/567512078.db2.gz QKLRBNUXNQFULD-UHFFFAOYSA-N 2 0 388.309 3.265 10 0 GGAERP CC(C)C[C@H]([NH2+][C@H](C)Cc1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000479293962 567522526 /nfs/dbraw/zinc/52/25/26/567522526.db2.gz FNXWOGUZUMVHDY-QAPCUYQASA-N 2 0 398.389 3.062 10 0 GGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000594949226 567529098 /nfs/dbraw/zinc/52/90/98/567529098.db2.gz OEZCWPBDMXGNLV-GSJFWJNXSA-N 2 0 378.685 3.374 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000552057005 567553059 /nfs/dbraw/zinc/55/30/59/567553059.db2.gz AKJSEXHJNZKUCH-OQIJWPOYSA-N 2 0 381.358 3.063 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000552057006 567553220 /nfs/dbraw/zinc/55/32/20/567553220.db2.gz AKJSEXHJNZKUCH-XGXHKWSGSA-N 2 0 381.358 3.063 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000552064016 567555324 /nfs/dbraw/zinc/55/53/24/567555324.db2.gz UYZQFRDBYPYOLV-BVBHFADKSA-N 2 0 378.358 3.490 10 0 GGAERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644606488 567565070 /nfs/dbraw/zinc/56/50/70/567565070.db2.gz GXXDVHNMPBYUAS-YMAMQOFZSA-N 2 0 375.340 3.443 10 0 GGAERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644606487 567565173 /nfs/dbraw/zinc/56/51/73/567565173.db2.gz GXXDVHNMPBYUAS-NRXISQOPSA-N 2 0 375.340 3.443 10 0 GGAERP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)nc12 ZINC000552283459 567572528 /nfs/dbraw/zinc/57/25/28/567572528.db2.gz DPSFTJIXWQPNTL-KSZLIROESA-N 2 0 391.357 3.410 10 0 GGAERP O[C@H]1CC[N@@H+](C2CCN(c3ccnc4cc(F)c(Br)cc43)CC2)C1 ZINC000664597946 567577548 /nfs/dbraw/zinc/57/75/48/567577548.db2.gz RFCNOJYWUPYUKN-ZDUSSCGKSA-N 2 0 394.288 3.172 10 0 GGAERP O[C@@H]1CC[N@@H+](C2CCN(c3ccnc4c(Br)ccc(F)c34)CC2)C1 ZINC000664599163 567577573 /nfs/dbraw/zinc/57/75/73/567577573.db2.gz YKZAVRQCNUIUPV-CYBMUJFWSA-N 2 0 394.288 3.172 10 0 GGAERP CSC1(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)CC[NH+](C)CC1 ZINC000571963429 567602753 /nfs/dbraw/zinc/60/27/53/567602753.db2.gz HLPYNSMHXPTDAB-AWEZNQCLSA-N 2 0 379.961 3.399 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000665285129 567615481 /nfs/dbraw/zinc/61/54/81/567615481.db2.gz DKJHNOGAAIRVHW-GFCCVEGCSA-N 2 0 388.375 3.152 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000665285190 567615688 /nfs/dbraw/zinc/61/56/88/567615688.db2.gz GGVNQDCXOSVRQF-AWEZNQCLSA-N 2 0 382.346 3.090 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000665289310 567615985 /nfs/dbraw/zinc/61/59/85/567615985.db2.gz LDTIWSNUBOUWJT-CWRNSKLLSA-N 2 0 383.989 3.474 10 0 GGAERP Clc1ccc(I)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000596651942 567647400 /nfs/dbraw/zinc/64/74/00/567647400.db2.gz SHZROLKTQZDUOB-JTNHKYCSSA-N 2 0 390.696 3.422 10 0 GGAERP Ic1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000596655311 567647413 /nfs/dbraw/zinc/64/74/13/567647413.db2.gz UUWAGKBAJMDVPS-BBWFWOEESA-N 2 0 384.305 3.344 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@H]2CCC[C@H]21 ZINC000572655319 567655939 /nfs/dbraw/zinc/65/59/39/567655939.db2.gz YVNYTDMDTXBQCY-XYVMCAHJSA-N 2 0 378.358 3.490 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1(C)C ZINC000623396447 567707592 /nfs/dbraw/zinc/70/75/92/567707592.db2.gz SKAXCBAGHYHESP-INIZCTEOSA-N 2 0 382.346 3.031 10 0 GGAERP CN1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1(C)C ZINC000623516721 567717170 /nfs/dbraw/zinc/71/71/70/567717170.db2.gz BYSOKXXUZHXMHS-AWEZNQCLSA-N 2 0 378.460 3.071 10 0 GGAERP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623541898 567720065 /nfs/dbraw/zinc/72/00/65/567720065.db2.gz CPXHZEQFBCBFMA-DOTOQJQBSA-N 2 0 383.374 3.371 10 0 GGAERP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541628 567720698 /nfs/dbraw/zinc/72/06/98/567720698.db2.gz RCLGUWASVPMXIN-DLBZAZTESA-N 2 0 383.374 3.371 10 0 GGAERP C[NH+](C)C[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000624192185 567766126 /nfs/dbraw/zinc/76/61/26/567766126.db2.gz NRDSTDAHPXTROD-APWZRJJASA-N 2 0 386.367 3.439 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1 ZINC000647901813 567805522 /nfs/dbraw/zinc/80/55/22/567805522.db2.gz VVFAOLQFLJAJQT-RHSMWYFYSA-N 2 0 380.330 3.242 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccccc1Br ZINC000647901617 567805954 /nfs/dbraw/zinc/80/59/54/567805954.db2.gz RPERTQDCSYWEQN-HOCLYGCPSA-N 2 0 380.330 3.242 10 0 GGAERP CCN(CC(=O)NCc1ccccc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072305034 570515547 /nfs/dbraw/zinc/51/55/47/570515547.db2.gz VAOCFFBPLOCPMN-JOCHJYFZSA-N 2 0 379.548 3.455 10 0 GGAERP C[NH+](CCCNC(=O)NCCC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000036394205 570677355 /nfs/dbraw/zinc/67/73/55/570677355.db2.gz DXGFCIVZDXZXKN-UHFFFAOYSA-N 2 0 382.552 3.330 10 0 GGAERP C[NH+](C)CCOc1ccccc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000059003393 570737020 /nfs/dbraw/zinc/73/70/20/570737020.db2.gz FILTXHBOIXRWHW-UHFFFAOYSA-N 2 0 395.547 3.194 10 0 GGAERP C[NH+]1CCC(N2CCC([NH2+]Cc3ccccc3OCc3ccccn3)CC2)CC1 ZINC000051189702 1405741155 /nfs/dbraw/zinc/74/11/55/1405741155.db2.gz DQJNFRUFMBGKNY-UHFFFAOYSA-N 2 0 394.563 3.309 10 0 GGAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(OC)cc2OC)CC1 ZINC000061070306 1408073962 /nfs/dbraw/zinc/07/39/62/1408073962.db2.gz DDYBJKQWWSRDPA-UHFFFAOYSA-N 2 0 383.536 3.131 10 0 GGAERP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000066876760 1408939783 /nfs/dbraw/zinc/93/97/83/1408939783.db2.gz AVQNCQFQPPOVNK-UHFFFAOYSA-N 2 0 380.414 3.022 10 0 GGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000067121479 1409013339 /nfs/dbraw/zinc/01/33/39/1409013339.db2.gz HFUZMTXZZAMOEI-CQSZACIVSA-N 2 0 375.891 3.305 10 0 GGAERP CC(C)CC(=O)N1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000067501491 1409139649 /nfs/dbraw/zinc/13/96/49/1409139649.db2.gz HLQHLDAXSDNDFS-UHFFFAOYSA-N 2 0 387.568 3.288 10 0 GGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000069066364 1409555278 /nfs/dbraw/zinc/55/52/78/1409555278.db2.gz HHEUZOSTJMHXNS-IBGZPJMESA-N 2 0 382.426 3.469 10 0 GGAERP CC(C)[C@@H](C[NH2+]Cc1cccc(OCc2ccccn2)c1)N1CC[NH+](C)CC1 ZINC000075762899 1409882697 /nfs/dbraw/zinc/88/26/97/1409882697.db2.gz CQFOIZNAQJTZFP-HSZRJFAPSA-N 2 0 382.552 3.022 10 0 GGAERP CC(C)Oc1cccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000080373767 1410004898 /nfs/dbraw/zinc/00/48/98/1410004898.db2.gz FQIYVELYGJOKPI-UHFFFAOYSA-N 2 0 375.557 3.190 10 0 GGAERP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)cc1 ZINC000096048056 1410322584 /nfs/dbraw/zinc/32/25/84/1410322584.db2.gz RISHNLUTQZWKJN-OAQYLSRUSA-N 2 0 381.520 3.346 10 0 GGAERP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105463028 1411068885 /nfs/dbraw/zinc/06/88/85/1411068885.db2.gz ANYIDSCIKXCFMY-MRXNPFEDSA-N 2 0 385.483 3.200 10 0 GGAERP C[NH+](C)CCOc1ccc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1 ZINC000118775624 1413217939 /nfs/dbraw/zinc/21/79/39/1413217939.db2.gz DLIUHHOKHZQVEY-UHFFFAOYSA-N 2 0 395.503 3.365 10 0 GGAERP FC(F)(F)CN1CC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000120778239 1413899887 /nfs/dbraw/zinc/89/98/87/1413899887.db2.gz FZNKMNCCHVLUKZ-GOSISDBHSA-N 2 0 385.474 3.135 10 0 GGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000122152846 1414374804 /nfs/dbraw/zinc/37/48/04/1414374804.db2.gz CDESZMWORQDXOV-RTBURBONSA-N 2 0 377.529 3.162 10 0 GGAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](C)[C@H](n4ccnc4)C3)cc2)CC1 ZINC000123407732 1414720662 /nfs/dbraw/zinc/72/06/62/1414720662.db2.gz CTDPOZHFPCWLHQ-DENIHFKCSA-N 2 0 395.551 3.137 10 0 GGAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@H](n4ccnc4)C3)cc2)CC1 ZINC000123407978 1414720722 /nfs/dbraw/zinc/72/07/22/1414720722.db2.gz CTDPOZHFPCWLHQ-SIKLNZKXSA-N 2 0 395.551 3.137 10 0 GGAERP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000124793316 1415045272 /nfs/dbraw/zinc/04/52/72/1415045272.db2.gz BAUYAWPUDYZHDL-OQIJWPOYSA-N 2 0 397.485 3.476 10 0 GGAERP COc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c(SC)cc1OC ZINC000153757307 1422740133 /nfs/dbraw/zinc/74/01/33/1422740133.db2.gz BKLDNJZCKDZYGZ-UHFFFAOYSA-N 2 0 393.597 3.074 10 0 GGAERP CC(C)n1cc(C[NH+]2CCC3(C[N@H+](Cc4ccccc4)C[C@@H]3CO)CC2)cn1 ZINC000169789932 1425258550 /nfs/dbraw/zinc/25/85/50/1425258550.db2.gz WSZHMHWZTSMGRR-JOCHJYFZSA-N 2 0 382.552 3.171 10 0 GGAERP CCC[NH+]1CCC([N@@H+]2C[C@H](COCc3ccncc3)C3(C2)CCOCC3)CC1 ZINC000257175625 1433893337 /nfs/dbraw/zinc/89/33/37/1433893337.db2.gz QBZXWBDEVSLQQP-OAQYLSRUSA-N 2 0 387.568 3.201 10 0 GGAERP CCC[NH+]1CCC([N@@H+]2C[C@@H](COCc3ccncc3)C3(C2)CCOCC3)CC1 ZINC000257175623 1433893434 /nfs/dbraw/zinc/89/34/34/1433893434.db2.gz QBZXWBDEVSLQQP-NRFANRHFSA-N 2 0 387.568 3.201 10 0 GGAERP c1ccc(C[N@@H+]2CC[C@H](c3nnc4n3CC[NH+](Cc3ccccc3)CC4)C2)cc1 ZINC000257196971 1433895019 /nfs/dbraw/zinc/89/50/19/1433895019.db2.gz ZFHBGXQCSLGAQK-QFIPXVFZSA-N 2 0 387.531 3.326 10 0 GGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2cccc(C)c2)CC1 ZINC000466895774 1126093730 /nfs/dbraw/zinc/09/37/30/1126093730.db2.gz LMFTYNMKPZWFDG-HSZRJFAPSA-N 2 0 381.564 3.220 10 0 GGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2ccc(C)cc2)CC1 ZINC000466904006 1126093878 /nfs/dbraw/zinc/09/38/78/1126093878.db2.gz CBEFWPGJILRXSX-QHCPKHFHSA-N 2 0 381.564 3.220 10 0 GGAERP C[NH+](C)CCN1C(=O)c2ccccc2[C@@H]1OC1CC[NH+](Cc2ccccc2)CC1 ZINC000334162914 212107685 /nfs/dbraw/zinc/10/76/85/212107685.db2.gz HBFIOTUZTFTUEE-DEOSSOPVSA-N 2 0 393.531 3.384 10 0 GGAERP C[NH+](C)CCN1C(=O)c2ccccc2[C@H]1OC1CC[NH+](Cc2ccccc2)CC1 ZINC000334162915 212107224 /nfs/dbraw/zinc/10/72/24/212107224.db2.gz HBFIOTUZTFTUEE-XMMPIXPASA-N 2 0 393.531 3.384 10 0 GGAERP C[N@H+](CCn1ccc2ccccc21)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023581098 212105688 /nfs/dbraw/zinc/10/56/88/212105688.db2.gz YBZKXMJYDXDZPW-PKTZIBPZSA-N 2 0 375.516 3.310 10 0 GGAERP O[C@H](COc1ccc(C[NH2+]CCc2ccccc2F)cc1)C[NH+]1CCCCC1 ZINC000011773282 221124447 /nfs/dbraw/zinc/12/44/47/221124447.db2.gz UEPUESIGVKPOIH-NRFANRHFSA-N 2 0 386.511 3.384 10 0 GGAERP COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012458079 221198719 /nfs/dbraw/zinc/19/87/19/221198719.db2.gz CRINLFJCXLJHFR-GOSISDBHSA-N 2 0 390.549 3.190 10 0 GGAERP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3c(C)cc(C)cc3-n3cccn3)C2)C1 ZINC000012570232 221208162 /nfs/dbraw/zinc/20/81/62/221208162.db2.gz AESSXTZRMJWKSO-QHCPKHFHSA-N 2 0 382.552 3.423 10 0 GGAERP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012771732 221228987 /nfs/dbraw/zinc/22/89/87/221228987.db2.gz JHXREFIVFPATDJ-QGZVFWFLSA-N 2 0 395.503 3.170 10 0 GGAERP O[C@H](COc1ccccc1C[NH+]1CCCCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000015073025 221331248 /nfs/dbraw/zinc/33/12/48/221331248.db2.gz OXATVEAULSWRBR-QHCPKHFHSA-N 2 0 380.532 3.471 10 0 GGAERP c1ccc(C[NH+]2CCC(Nc3nc(-c4cccnc4)nc4c3C[NH2+]C4)CC2)cc1 ZINC000072156991 222213322 /nfs/dbraw/zinc/21/33/22/222213322.db2.gz VFOYQVZRNODMJX-UHFFFAOYSA-N 2 0 386.503 3.218 10 0 GGAERP CC(C)[C@H](NC(=O)C[N@H+](C)C(C)C)c1ccccc1NC(=O)C[NH+](C)C(C)C ZINC000095976321 222366779 /nfs/dbraw/zinc/36/67/79/222366779.db2.gz OQDUVTYCJXGWNF-QFIPXVFZSA-N 2 0 390.572 3.119 10 0 GGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128327096 564615422 /nfs/dbraw/zinc/61/54/22/564615422.db2.gz FNLUYUMSLWGYFA-HNNXBMFYSA-N 2 0 386.353 3.136 10 0 GGAERP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000077752481 564862620 /nfs/dbraw/zinc/86/26/20/564862620.db2.gz HDWPCUXTLYSPIB-CYBMUJFWSA-N 2 0 375.344 3.189 10 0 GGAERP CC[NH+](CC)CCSCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000369927548 565118827 /nfs/dbraw/zinc/11/88/27/565118827.db2.gz NDLJWDJVZDSRQI-VQIMIIECSA-N 2 0 383.627 3.322 10 0 GGAERP C[C@H](C[NH2+][C@@H]1CCc2c1ccc(F)c2Br)CN1CC[NH+](C)CC1 ZINC000295174407 565249070 /nfs/dbraw/zinc/24/90/70/565249070.db2.gz LWJMRSRKVCOHNC-CXAGYDPISA-N 2 0 384.337 3.049 10 0 GGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000295423086 565264869 /nfs/dbraw/zinc/26/48/69/565264869.db2.gz OBDGNOHEMCXEBT-CXAGYDPISA-N 2 0 384.337 3.191 10 0 GGAERP C[NH+](C)CCCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000274688183 565376693 /nfs/dbraw/zinc/37/66/93/565376693.db2.gz UBTHXDFTDLBKMV-UHFFFAOYSA-N 2 0 379.140 3.225 10 0 GGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000170941873 565399849 /nfs/dbraw/zinc/39/98/49/565399849.db2.gz QIIMWCQASHHQAJ-ZDUSSCGKSA-N 2 0 376.875 3.466 10 0 GGAERP Brc1cc2c(cc1CN1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000321128706 565604513 /nfs/dbraw/zinc/60/45/13/565604513.db2.gz FKMVFXNPEMQSTJ-CZUORRHYSA-N 2 0 381.314 3.184 10 0 GGAERP Brc1cc2c(cc1CN1CCC[C@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000321128708 565604595 /nfs/dbraw/zinc/60/45/95/565604595.db2.gz FKMVFXNPEMQSTJ-XJKSGUPXSA-N 2 0 381.314 3.184 10 0 GGAERP COc1cc(Br)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000321955707 565608091 /nfs/dbraw/zinc/60/80/91/565608091.db2.gz HSMITTXHVFFVGX-CZUORRHYSA-N 2 0 383.330 3.430 10 0 GGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000175719780 565719361 /nfs/dbraw/zinc/71/93/61/565719361.db2.gz BICXPHPBYFEANY-KEYYUXOJSA-N 2 0 375.340 3.395 10 0 GGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)[C@H](C)C1 ZINC000175730661 565720267 /nfs/dbraw/zinc/72/02/67/565720267.db2.gz OHYYOFVYIVYFCS-RHSMWYFYSA-N 2 0 382.346 3.440 10 0 GGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)[C@H](C)C1 ZINC000175730637 565720464 /nfs/dbraw/zinc/72/04/64/565720464.db2.gz OHYYOFVYIVYFCS-PBHICJAKSA-N 2 0 382.346 3.440 10 0 GGAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000177881631 565878711 /nfs/dbraw/zinc/87/87/11/565878711.db2.gz LJSUCMTZQDPEJW-GOSISDBHSA-N 2 0 396.373 3.278 10 0 GGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178032939 565890952 /nfs/dbraw/zinc/89/09/52/565890952.db2.gz DZWVWQSMUICMJD-QAPCUYQASA-N 2 0 396.373 3.278 10 0 GGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178032915 565891384 /nfs/dbraw/zinc/89/13/84/565891384.db2.gz DZWVWQSMUICMJD-CRAIPNDOSA-N 2 0 396.373 3.278 10 0 GGAERP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414205747 565902593 /nfs/dbraw/zinc/90/25/93/565902593.db2.gz XLKMRYRFZLEQDH-INIZCTEOSA-N 2 0 386.005 3.109 10 0 GGAERP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000414697289 565956967 /nfs/dbraw/zinc/95/69/67/565956967.db2.gz CAMBVXQAJAVWOX-OAHLLOKOSA-N 2 0 381.973 3.094 10 0 GGAERP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414828019 565962306 /nfs/dbraw/zinc/96/23/06/565962306.db2.gz IFPNFZLOWYLEBJ-OAHLLOKOSA-N 2 0 377.330 3.341 10 0 GGAERP C[C@@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(Br)c1 ZINC000415046619 565970954 /nfs/dbraw/zinc/97/09/54/565970954.db2.gz CXRVPVOJRUDCTL-MNNVXMFVSA-N 2 0 380.374 3.359 10 0 GGAERP Clc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(Br)c1 ZINC000415045361 565970977 /nfs/dbraw/zinc/97/09/77/565970977.db2.gz BOVDGAVXTFNLPV-UHFFFAOYSA-N 2 0 386.765 3.409 10 0 GGAERP Clc1sc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1Br ZINC000415048885 565971656 /nfs/dbraw/zinc/97/16/56/565971656.db2.gz GKOOIRRJTWUKOF-UHFFFAOYSA-N 2 0 392.794 3.470 10 0 GGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058533 565971747 /nfs/dbraw/zinc/97/17/47/565971747.db2.gz TYOVQPCTLBPRDJ-RWBZWWBESA-N 2 0 398.364 3.325 10 0 GGAERP Clc1ccc(Br)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415049525 565971861 /nfs/dbraw/zinc/97/18/61/565971861.db2.gz HMCYBQSUPGWUOF-UHFFFAOYSA-N 2 0 386.765 3.409 10 0 GGAERP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000179700524 566000973 /nfs/dbraw/zinc/00/09/73/566000973.db2.gz SIZYDEGBFBFQER-GOSISDBHSA-N 2 0 399.373 3.243 10 0 GGAERP Cc1cc(Br)ccc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246585282 566034179 /nfs/dbraw/zinc/03/41/79/566034179.db2.gz CKGZTUAMTNCNGJ-YOEHRIQHSA-N 2 0 380.330 3.112 10 0 GGAERP Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)Nc1ccccc1Br ZINC000246920504 566045840 /nfs/dbraw/zinc/04/58/40/566045840.db2.gz GNOPACSRLRFKOW-HIFRSBDPSA-N 2 0 391.313 3.446 10 0 GGAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCN1C ZINC000247012129 566050412 /nfs/dbraw/zinc/05/04/12/566050412.db2.gz KKCHEACLVOVWMT-BNOWGMLFSA-N 2 0 376.854 3.405 10 0 GGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000247050588 566051959 /nfs/dbraw/zinc/05/19/59/566051959.db2.gz OHYYOFVYIVYFCS-YOEHRIQHSA-N 2 0 382.346 3.440 10 0 GGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccc(Br)o3)o2)[C@@H](C)C1 ZINC000247268354 566056253 /nfs/dbraw/zinc/05/62/53/566056253.db2.gz VZCAKALRVKXAJY-NWDGAFQWSA-N 2 0 383.290 3.254 10 0 GGAERP [NH3+]C[C@@H]1CN(Cc2ccc(I)cc2)C[C@H]1c1ccccc1 ZINC000261686422 566128805 /nfs/dbraw/zinc/12/88/05/566128805.db2.gz IRWATGYPLPZATQ-AEFFLSMTSA-N 2 0 392.284 3.466 10 0 GGAERP C[C@@]([NH3+])(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc(Br)cc1 ZINC000261748204 566132423 /nfs/dbraw/zinc/13/24/23/566132423.db2.gz IVQFHFIGDUWAJI-SFHVURJKSA-N 2 0 392.272 3.047 10 0 GGAERP CN1CC[NH+](CC2CCN(Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC000367669043 566211126 /nfs/dbraw/zinc/21/11/26/566211126.db2.gz KFLDNLMGOMAJIO-UHFFFAOYSA-N 2 0 384.337 3.048 10 0 GGAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000418716211 566220280 /nfs/dbraw/zinc/22/02/80/566220280.db2.gz ZNBLVMRFTJXVBB-STQMWFEESA-N 2 0 375.344 3.192 10 0 GGAERP C[NH+](C)CCCC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000481977773 566272292 /nfs/dbraw/zinc/27/22/92/566272292.db2.gz YJBABBAZXBPUSX-OAHLLOKOSA-N 2 0 388.293 3.436 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(Br)c1 ZINC000420397667 566276502 /nfs/dbraw/zinc/27/65/02/566276502.db2.gz MTZHEUDJBWUPTD-PBHICJAKSA-N 2 0 380.330 3.242 10 0 GGAERP C[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(C)(=O)=O ZINC000575848802 566292176 /nfs/dbraw/zinc/29/21/76/566292176.db2.gz RXKGAIFFHYLOAK-QNBCLJFBSA-N 2 0 384.973 3.277 10 0 GGAERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000577054805 566401188 /nfs/dbraw/zinc/40/11/88/566401188.db2.gz DTWWUQMDGKXXIE-AVVWSFFYSA-N 2 0 375.340 3.443 10 0 GGAERP C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000627067361 566461974 /nfs/dbraw/zinc/46/19/74/566461974.db2.gz AGDMUOUIJAMVTK-QEORTHHSSA-N 2 0 387.355 3.283 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)NCC1(C)CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000627084516 566463422 /nfs/dbraw/zinc/46/34/22/566463422.db2.gz UWCROCAAIWNEMY-MRXNPFEDSA-N 2 0 387.355 3.285 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000627101254 566466426 /nfs/dbraw/zinc/46/64/26/566466426.db2.gz UDPYMKYKBHLXHA-WMLDXEAASA-N 2 0 387.355 3.428 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000627101255 566466711 /nfs/dbraw/zinc/46/67/11/566466711.db2.gz UDPYMKYKBHLXHA-YOEHRIQHSA-N 2 0 387.355 3.428 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(Cl)c1 ZINC000627126705 566468263 /nfs/dbraw/zinc/46/82/63/566468263.db2.gz JAWCUMYAOIPDDF-HZPDHXFCSA-N 2 0 385.339 3.180 10 0 GGAERP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](CCO)c1ccccc1Br ZINC000423026159 566468537 /nfs/dbraw/zinc/46/85/37/566468537.db2.gz ARZPODZQAPBEDE-UGSOOPFHSA-N 2 0 378.314 3.386 10 0 GGAERP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423025475 566469688 /nfs/dbraw/zinc/46/96/88/566469688.db2.gz OJTOXHPNRNXKEE-ZWNOBZJWSA-N 2 0 381.236 3.325 10 0 GGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1Br ZINC000423044495 566470789 /nfs/dbraw/zinc/47/07/89/566470789.db2.gz AQQCRTKHJJRTOU-LBPRGKRZSA-N 2 0 380.124 3.055 10 0 GGAERP COc1c(Br)cc(C[NH2+]CCC2(C[NH3+])CC2)cc1Br ZINC000650712504 566471241 /nfs/dbraw/zinc/47/12/41/566471241.db2.gz GSGHXHVPBMFKDJ-UHFFFAOYSA-N 2 0 392.135 3.439 10 0 GGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1Br ZINC000423044494 566471565 /nfs/dbraw/zinc/47/15/65/566471565.db2.gz AQQCRTKHJJRTOU-GFCCVEGCSA-N 2 0 380.124 3.055 10 0 GGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000423069907 566472954 /nfs/dbraw/zinc/47/29/54/566472954.db2.gz BSXBAALMYJRGAB-ZFWWWQNUSA-N 2 0 392.341 3.113 10 0 GGAERP COc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723691 566473700 /nfs/dbraw/zinc/47/37/00/566473700.db2.gz RZQCJVNRDADUCA-ZTFGCOKTSA-N 2 0 383.330 3.319 10 0 GGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc3c(cc2Br)OCO3)C1 ZINC000650722101 566474561 /nfs/dbraw/zinc/47/45/61/566474561.db2.gz KSDXIHYFBPCVSE-VNQPRFMTSA-N 2 0 397.313 3.039 10 0 GGAERP Cc1c([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000650744198 566475640 /nfs/dbraw/zinc/47/56/40/566475640.db2.gz IJAPGIZNJCEAHT-GFCCVEGCSA-N 2 0 378.318 3.118 10 0 GGAERP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423509505 566490903 /nfs/dbraw/zinc/49/09/03/566490903.db2.gz MMAODAMGKHZUPJ-NNGSBXSVSA-N 2 0 398.364 3.325 10 0 GGAERP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Br)ccc1F ZINC000423525745 566492359 /nfs/dbraw/zinc/49/23/59/566492359.db2.gz YNVOTPYZXIMWBM-JEYLPNPQSA-N 2 0 384.337 3.455 10 0 GGAERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccccc1Br)C(=O)NCC[NH+](C)C ZINC000538545928 566520299 /nfs/dbraw/zinc/52/02/99/566520299.db2.gz BSFFQVBFEYHWHM-YOEHRIQHSA-N 2 0 384.362 3.192 10 0 GGAERP CC(C)[C@H](C[NH2+][C@@H]1CCc2c1ccc(F)c2Br)N1CC[NH+](C)CC1 ZINC000449073383 566527649 /nfs/dbraw/zinc/52/76/49/566527649.db2.gz IQPIUXPOBTUKMP-MSOLQXFVSA-N 2 0 398.364 3.437 10 0 GGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449128767 566532115 /nfs/dbraw/zinc/53/21/15/566532115.db2.gz AONKCUADLVRLOM-KBXCAEBGSA-N 2 0 398.364 3.439 10 0 GGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOc2ccc(Br)cc2)C1 ZINC000652360196 566605938 /nfs/dbraw/zinc/60/59/38/566605938.db2.gz CLPHRPCBHHNLBD-NXHRZFHOSA-N 2 0 383.330 3.189 10 0 GGAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300121 566642517 /nfs/dbraw/zinc/64/25/17/566642517.db2.gz YYTWWNIFZRWQII-FUHWJXTLSA-N 2 0 394.357 3.077 10 0 GGAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000675742222 566662495 /nfs/dbraw/zinc/66/24/95/566662495.db2.gz LWRNCZIATDMICT-QGZVFWFLSA-N 2 0 396.373 3.278 10 0 GGAERP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629522409 566663610 /nfs/dbraw/zinc/66/36/10/566663610.db2.gz ZJDJRZKMAUEZOX-CQSZACIVSA-N 2 0 393.325 3.467 10 0 GGAERP C[NH2+]CCOCC[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000629529020 566663746 /nfs/dbraw/zinc/66/37/46/566663746.db2.gz PJRWGZXKXWAQHG-CQSZACIVSA-N 2 0 381.314 3.195 10 0 GGAERP C[N@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801476 566763335 /nfs/dbraw/zinc/76/33/35/566763335.db2.gz SKWKLLVTMSILCB-INIZCTEOSA-N 2 0 384.337 3.189 10 0 GGAERP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000562995169 566841211 /nfs/dbraw/zinc/84/12/11/566841211.db2.gz INPMIJJCAQQUHY-HNNXBMFYSA-N 2 0 375.340 3.445 10 0 GGAERP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000582241808 566844321 /nfs/dbraw/zinc/84/43/21/566844321.db2.gz KMPCMNWBTFGRHR-TUVASFSCSA-N 2 0 384.351 3.491 10 0 GGAERP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000582241809 566844757 /nfs/dbraw/zinc/84/47/57/566844757.db2.gz KMPCMNWBTFGRHR-ZQDZILKHSA-N 2 0 384.351 3.491 10 0 GGAERP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824070 566851379 /nfs/dbraw/zinc/85/13/79/566851379.db2.gz DKKGNWLLPSDKGG-FZNQNYSPSA-N 2 0 377.330 3.373 10 0 GGAERP COc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Br)c1O ZINC000656783374 566950023 /nfs/dbraw/zinc/95/00/23/566950023.db2.gz QKIHPUXBXYXBIG-CQSZACIVSA-N 2 0 383.330 3.375 10 0 GGAERP COc1cc(Br)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1O ZINC000656782409 566950656 /nfs/dbraw/zinc/95/06/56/566950656.db2.gz GELAMZWWOLPUHW-AWEZNQCLSA-N 2 0 383.330 3.375 10 0 GGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000471595598 566963784 /nfs/dbraw/zinc/96/37/84/566963784.db2.gz IKSBNXIRQDARGL-HUUCEWRRSA-N 2 0 386.353 3.135 10 0 GGAERP Brc1ccc(N2CC[C@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000657351325 567050148 /nfs/dbraw/zinc/05/01/48/567050148.db2.gz CJVCWBOCMJYFOX-INIZCTEOSA-N 2 0 398.308 3.398 10 0 GGAERP COc1cc(Br)ccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537265 567066959 /nfs/dbraw/zinc/06/69/59/567066959.db2.gz FVYQBQNJXJXZLG-UHFFFAOYSA-N 2 0 397.357 3.438 10 0 GGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000657572727 567071489 /nfs/dbraw/zinc/07/14/89/567071489.db2.gz CVHMIMWZFABDIC-HNNXBMFYSA-N 2 0 396.373 3.087 10 0 GGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000657572800 567073335 /nfs/dbraw/zinc/07/33/35/567073335.db2.gz GTRMPNBNXKFTKU-HNNXBMFYSA-N 2 0 393.373 3.359 10 0 GGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3csc(Br)c3)cc2)C1 ZINC000657594298 567074298 /nfs/dbraw/zinc/07/42/98/567074298.db2.gz IDVIMIVMLZYLFT-MRXNPFEDSA-N 2 0 381.339 3.367 10 0 GGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)s3)cc2)C1 ZINC000657596103 567075005 /nfs/dbraw/zinc/07/50/05/567075005.db2.gz UWGPAJWAPBKEQA-OAHLLOKOSA-N 2 0 381.339 3.367 10 0 GGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3csc(Br)c3)cc2)C1 ZINC000657594296 567075098 /nfs/dbraw/zinc/07/50/98/567075098.db2.gz IDVIMIVMLZYLFT-INIZCTEOSA-N 2 0 381.339 3.367 10 0 GGAERP Cc1c(Br)cncc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657594492 567075138 /nfs/dbraw/zinc/07/51/38/567075138.db2.gz AUEDBLXHJRXEOP-GOSISDBHSA-N 2 0 390.325 3.009 10 0 GGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3sccc3Br)cc2)C1 ZINC000657594849 567075376 /nfs/dbraw/zinc/07/53/76/567075376.db2.gz DICOFROCIUOMKM-OAHLLOKOSA-N 2 0 381.339 3.367 10 0 GGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccc3Br)cc2)C1 ZINC000657596740 567075485 /nfs/dbraw/zinc/07/54/85/567075485.db2.gz YJTLZGRUMIQYFB-GOSISDBHSA-N 2 0 375.310 3.306 10 0 GGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(F)c(Br)c3)cc2)C1 ZINC000657595981 567075658 /nfs/dbraw/zinc/07/56/58/567075658.db2.gz SUBFHAVFFXPTRI-KRWDZBQOSA-N 2 0 393.300 3.445 10 0 GGAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ncc(Br)s1 ZINC000658068355 567119286 /nfs/dbraw/zinc/11/92/86/567119286.db2.gz WGFQHCHRXMEUJF-LBPRGKRZSA-N 2 0 388.375 3.447 10 0 GGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000475224447 567235064 /nfs/dbraw/zinc/23/50/64/567235064.db2.gz NXPGREPUZHOYLL-UHFFFAOYSA-N 2 0 389.301 3.105 10 0 GGAERP Clc1cc(I)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000592470664 567340321 /nfs/dbraw/zinc/34/03/21/567340321.db2.gz BSHJLLQRIKZFDE-SCDSUCTJSA-N 2 0 390.696 3.422 10 0 GGAERP CN1CCC([NH+]2CCC(NC(=O)c3ccsc3C(F)(F)F)CC2)CC1 ZINC000528313795 567409931 /nfs/dbraw/zinc/40/99/31/567409931.db2.gz DRAIMBGYMWQCJI-UHFFFAOYSA-N 2 0 375.460 3.055 10 0 GGAERP COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255206 567422613 /nfs/dbraw/zinc/42/26/13/567422613.db2.gz BCPVBNADHVJMPG-ZBFHGGJFSA-N 2 0 381.314 3.116 10 0 GGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ncc(Br)cc3Cl)C2)C1 ZINC000662285438 567423649 /nfs/dbraw/zinc/42/36/49/567423649.db2.gz JUCZOFWOBXUJRG-AXAPSJFSSA-N 2 0 388.737 3.216 10 0 GGAERP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1 ZINC000662293639 567426171 /nfs/dbraw/zinc/42/61/71/567426171.db2.gz GZHBLOFUSOUVJS-HNNXBMFYSA-N 2 0 380.330 3.099 10 0 GGAERP Cn1ccnc1[C@H]1N(C(=O)c2sc3c(c2Br)CNC3)CC1(C)C ZINC000662756211 567461319 /nfs/dbraw/zinc/46/13/19/567461319.db2.gz IFTULNSGSHSDBB-CYBMUJFWSA-N 2 0 395.326 3.071 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000550886715 567468154 /nfs/dbraw/zinc/46/81/54/567468154.db2.gz RUZOVIVGBDTXRG-MRXNPFEDSA-N 2 0 384.362 3.101 10 0 GGAERP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)c(I)c1 ZINC000594513025 567483799 /nfs/dbraw/zinc/48/37/99/567483799.db2.gz ZOMHQEVYWDQOSW-GMXVVIOVSA-N 2 0 376.257 3.421 10 0 GGAERP C[C@@H]([NH3+])C1CCN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000529385382 567511268 /nfs/dbraw/zinc/51/12/68/567511268.db2.gz KNKSLQMCAVHWOJ-SJKOYZFVSA-N 2 0 387.355 3.365 10 0 GGAERP C[C@@H]1CCN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000529382586 567511305 /nfs/dbraw/zinc/51/13/05/567511305.db2.gz FZSKJVZHRJILFM-HACGYAERSA-N 2 0 387.355 3.222 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(Cl)c1 ZINC000529387951 567511410 /nfs/dbraw/zinc/51/14/10/567511410.db2.gz QWFFPQKMRQUQGK-JKIFEVAISA-N 2 0 385.339 3.132 10 0 GGAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000529388655 567511608 /nfs/dbraw/zinc/51/16/08/567511608.db2.gz SODCISDACCZEJH-RVSPLBMKSA-N 2 0 387.355 3.365 10 0 GGAERP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCC12CC(C1)C[NH2+]2 ZINC000663497361 567511648 /nfs/dbraw/zinc/51/16/48/567511648.db2.gz FUMTYUATHFIHIE-SGWRBKMISA-N 2 0 375.822 3.418 10 0 GGAERP C[C@@H]1CCN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000529382596 567511715 /nfs/dbraw/zinc/51/17/15/567511715.db2.gz FZSKJVZHRJILFM-SUYBPPKGSA-N 2 0 387.355 3.222 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000663503494 567511872 /nfs/dbraw/zinc/51/18/72/567511872.db2.gz JTAXLGKINGWFAC-OAHLLOKOSA-N 2 0 396.373 3.133 10 0 GGAERP CCCOc1c(Br)cc(CNCC23CC(C2)C[NH2+]3)cc1OCC ZINC000663502563 567511954 /nfs/dbraw/zinc/51/19/54/567511954.db2.gz VGGBZLNCVHPWPG-UHFFFAOYSA-N 2 0 383.330 3.478 10 0 GGAERP CC(C)C[C@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000479293963 567523980 /nfs/dbraw/zinc/52/39/80/567523980.db2.gz FNXWOGUZUMVHDY-YJBOKZPZSA-N 2 0 398.389 3.062 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@H]2CCC[C@H]21 ZINC000552049115 567552709 /nfs/dbraw/zinc/55/27/09/567552709.db2.gz LTQSQZPIEKZSAM-FGTMMUONSA-N 2 0 394.357 3.031 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000552057007 567553128 /nfs/dbraw/zinc/55/31/28/567553128.db2.gz AKJSEXHJNZKUCH-YSHGAJCASA-N 2 0 381.358 3.063 10 0 GGAERP Cc1cc(Br)cn2cc(CNC(=O)CC[C@H]3CCCC[N@H+]3C)nc12 ZINC000504941803 567553435 /nfs/dbraw/zinc/55/34/35/567553435.db2.gz GMZSRCCUQJJJBP-MRXNPFEDSA-N 2 0 393.329 3.286 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@H]2CCC[C@H]21 ZINC000552064017 567555388 /nfs/dbraw/zinc/55/53/88/567555388.db2.gz UYZQFRDBYPYOLV-OQIJWPOYSA-N 2 0 378.358 3.490 10 0 GGAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644533252 567556261 /nfs/dbraw/zinc/55/62/61/567556261.db2.gz LXDRJFHNIBGDLN-OAHLLOKOSA-N 2 0 375.340 3.445 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000552248896 567570119 /nfs/dbraw/zinc/57/01/19/567570119.db2.gz WMUJALDOXQLXRG-XGXHKWSGSA-N 2 0 378.358 3.490 10 0 GGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc(Br)cn1 ZINC000552340004 567578406 /nfs/dbraw/zinc/57/84/06/567578406.db2.gz ITCMHOSIQCEJMP-MAUKXSAKSA-N 2 0 377.330 3.146 10 0 GGAERP Brc1cnn(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000552333952 567579144 /nfs/dbraw/zinc/57/91/44/567579144.db2.gz UBOARXXYZQJGKW-LDLYASANSA-N 2 0 389.341 3.431 10 0 GGAERP Brc1ccccc1C[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530177844 567580481 /nfs/dbraw/zinc/58/04/81/567580481.db2.gz IMFYCHVMHCTZQE-GOSISDBHSA-N 2 0 378.358 3.288 10 0 GGAERP CSC1(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)CC[NH+](C)CC1 ZINC000571963430 567602246 /nfs/dbraw/zinc/60/22/46/567602246.db2.gz HLPYNSMHXPTDAB-CQSZACIVSA-N 2 0 379.961 3.399 10 0 GGAERP Cc1cc(Br)ccc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665217996 567614605 /nfs/dbraw/zinc/61/46/05/567614605.db2.gz DEBTXLIBAWPTRN-AWEZNQCLSA-N 2 0 385.350 3.151 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000665289311 567615333 /nfs/dbraw/zinc/61/53/33/567615333.db2.gz LDTIWSNUBOUWJT-VNQPRFMTSA-N 2 0 383.989 3.474 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000665285130 567615341 /nfs/dbraw/zinc/61/53/41/567615341.db2.gz DKJHNOGAAIRVHW-LBPRGKRZSA-N 2 0 388.375 3.152 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000665287198 567615820 /nfs/dbraw/zinc/61/58/20/567615820.db2.gz FALSDCAABPKGDG-SFHVURJKSA-N 2 0 394.357 3.017 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000665285564 567615829 /nfs/dbraw/zinc/61/58/29/567615829.db2.gz PZBGJENLVBXIDU-QGZVFWFLSA-N 2 0 381.973 3.457 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000665289842 567617544 /nfs/dbraw/zinc/61/75/44/567617544.db2.gz YPBRFAFTIHSUHZ-SFHVURJKSA-N 2 0 394.357 3.017 10 0 GGAERP Clc1ccc(I)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000596651943 567646434 /nfs/dbraw/zinc/64/64/34/567646434.db2.gz SHZROLKTQZDUOB-MISXGVKJSA-N 2 0 390.696 3.422 10 0 GGAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2sc(C)cc2Br)CC[NH2+]CC1 ZINC000596651817 567646612 /nfs/dbraw/zinc/64/66/12/567646612.db2.gz OBOHXXBNEMZJAF-LBPRGKRZSA-N 2 0 389.359 3.230 10 0 GGAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(I)cc1 ZINC000596655908 567646675 /nfs/dbraw/zinc/64/66/75/567646675.db2.gz ZNPBFHMXGPZRQW-KBXCAEBGSA-N 2 0 394.300 3.382 10 0 GGAERP Clc1ccc(I)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000596651944 567646776 /nfs/dbraw/zinc/64/67/76/567646776.db2.gz SHZROLKTQZDUOB-UHIISALHSA-N 2 0 390.696 3.422 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@H]2CCC[C@@H]21 ZINC000572655317 567656593 /nfs/dbraw/zinc/65/65/93/567656593.db2.gz YVNYTDMDTXBQCY-LMSBXDPUSA-N 2 0 378.358 3.490 10 0 GGAERP Brc1ccc(-c2n[nH]cc2C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000623358606 567704710 /nfs/dbraw/zinc/70/47/10/567704710.db2.gz IPTJFJMURVBJMU-UHFFFAOYSA-N 2 0 399.358 3.103 10 0 GGAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1(C)C ZINC000442880321 567714432 /nfs/dbraw/zinc/71/44/32/567714432.db2.gz YGVLYCXSXHKBCH-QGZVFWFLSA-N 2 0 396.373 3.278 10 0 GGAERP CN1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1(C)C ZINC000623516722 567717791 /nfs/dbraw/zinc/71/77/91/567717791.db2.gz BYSOKXXUZHXMHS-CQSZACIVSA-N 2 0 378.460 3.071 10 0 GGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542340 567720477 /nfs/dbraw/zinc/72/04/77/567720477.db2.gz WKHYSAZGQSOVJL-LSDHHAIUSA-N 2 0 387.337 3.202 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541801 567720928 /nfs/dbraw/zinc/72/09/28/567720928.db2.gz YQKDOESWHFJELP-BBRMVZONSA-N 2 0 387.337 3.202 10 0 GGAERP O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccsc3Br)cc2)C1 ZINC000623564205 567722256 /nfs/dbraw/zinc/72/22/56/567722256.db2.gz VRUXSWCKEGEKLS-MRXNPFEDSA-N 2 0 381.339 3.367 10 0 GGAERP COc1ncc(Br)cc1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000623664771 567729025 /nfs/dbraw/zinc/72/90/25/567729025.db2.gz NOZPQDLCWWTCNY-UHFFFAOYSA-N 2 0 396.251 3.359 10 0 GGAERP C[NH+](C)C[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000624192187 567766154 /nfs/dbraw/zinc/76/61/54/567766154.db2.gz NRDSTDAHPXTROD-QFBILLFUSA-N 2 0 386.367 3.439 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccccc1Br ZINC000647901616 567806024 /nfs/dbraw/zinc/80/60/24/567806024.db2.gz RPERTQDCSYWEQN-GOEBONIOSA-N 2 0 380.330 3.242 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1 ZINC000647901812 567806054 /nfs/dbraw/zinc/80/60/54/567806054.db2.gz VVFAOLQFLJAJQT-PBHICJAKSA-N 2 0 380.330 3.242 10 0 GGAERP Oc1ccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H]([NH+]2CCCC2)[C@@H]3O)cc1 ZINC000020864941 570282599 /nfs/dbraw/zinc/28/25/99/570282599.db2.gz SJAJQQOHLKKKDM-PKTZIBPZSA-N 2 0 378.516 3.437 10 0 GGAERP Cc1nn(C)c2ncc(C[NH2+]Cc3ccccc3C[NH+]3C[C@@H](C)O[C@H](C)C3)cc12 ZINC000237575489 570381066 /nfs/dbraw/zinc/38/10/66/570381066.db2.gz IVONGRWHXSYKIS-IAGOWNOFSA-N 2 0 393.535 3.176 10 0 GGAERP Cc1nn(C)c2ncc(C[NH2+]Cc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc12 ZINC000237779004 570396021 /nfs/dbraw/zinc/39/60/21/570396021.db2.gz IVONGRWHXSYKIS-CALCHBBNSA-N 2 0 393.535 3.176 10 0 GGAERP CC(C)n1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)c2ccccc21 ZINC000022914633 570571794 /nfs/dbraw/zinc/57/17/94/570571794.db2.gz PVTDDJFDXCTTHR-QFIPXVFZSA-N 2 0 398.595 3.185 10 0 GGAERP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)cc2)CC1 ZINC000048782995 1405291877 /nfs/dbraw/zinc/29/18/77/1405291877.db2.gz GGWQFUGFAGRGHH-UHFFFAOYSA-N 2 0 393.510 3.253 10 0 GGAERP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(OCc4ccncc4)cc3)CC2)CC1 ZINC000051189686 1405741024 /nfs/dbraw/zinc/74/10/24/1405741024.db2.gz IESROVJMUUAVAZ-UHFFFAOYSA-N 2 0 394.563 3.309 10 0 GGAERP COc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1OCCC(C)C ZINC000065271539 1408658812 /nfs/dbraw/zinc/65/88/12/1408658812.db2.gz ANOFFHSXASLFSJ-UHFFFAOYSA-N 2 0 377.573 3.236 10 0 GGAERP C[NH+]1CCN(C[C@H]([NH2+]Cc2cccc(OC(F)F)c2)c2ccccc2)CC1 ZINC000069171025 1409580090 /nfs/dbraw/zinc/58/00/90/1409580090.db2.gz BEUCWCMHMFWGNI-FQEVSTJZSA-N 2 0 375.463 3.366 10 0 GGAERP CCOc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1OC ZINC000069785268 1409698882 /nfs/dbraw/zinc/69/88/82/1409698882.db2.gz AOARFBUUKGFAIV-UHFFFAOYSA-N 2 0 383.536 3.131 10 0 GGAERP CCOc1cc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)ccc1C ZINC000077203611 1409894962 /nfs/dbraw/zinc/89/49/62/1409894962.db2.gz GPWZHRFODSMORJ-IBGZPJMESA-N 2 0 376.545 3.274 10 0 GGAERP CCOc1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc(Cl)c1OC ZINC000078891695 1409940869 /nfs/dbraw/zinc/94/08/69/1409940869.db2.gz GYDGRQACBNXHJE-SFHVURJKSA-N 2 0 383.964 3.109 10 0 GGAERP CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093282885 1410229627 /nfs/dbraw/zinc/22/96/27/1410229627.db2.gz IESMWEDLPCADAF-UHFFFAOYSA-N 2 0 391.556 3.458 10 0 GGAERP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000103173665 1410834305 /nfs/dbraw/zinc/83/43/05/1410834305.db2.gz BFEUZOCHVTYXRM-FQEVSTJZSA-N 2 0 375.520 3.136 10 0 GGAERP COc1ccc(NC(=[NH2+])NCc2ccc(OCC[NH+](C)C)cc2)cc1Cl ZINC000104162995 1410885998 /nfs/dbraw/zinc/88/59/98/1410885998.db2.gz BEDXYLVXGYMVLF-UHFFFAOYSA-N 2 0 376.888 3.216 10 0 GGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000105441917 1411066314 /nfs/dbraw/zinc/06/63/14/1411066314.db2.gz DHJYMNIFPDYWMS-FQEVSTJZSA-N 2 0 391.563 3.389 10 0 GGAERP CCOc1c(Cl)cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1OC ZINC000105451691 1411067272 /nfs/dbraw/zinc/06/72/72/1411067272.db2.gz IDRIFZZDNZXSDI-UHFFFAOYSA-N 2 0 383.964 3.111 10 0 GGAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000120423987 1413814775 /nfs/dbraw/zinc/81/47/75/1413814775.db2.gz BBCRXRLMZQQQSA-IBGZPJMESA-N 2 0 393.453 3.084 10 0 GGAERP c1ccc(CC[NH+]2CCC([NH2+]C[C@H](c3ccccc3)N3CCOCC3)CC2)cc1 ZINC000120623575 1413858312 /nfs/dbraw/zinc/85/83/12/1413858312.db2.gz FEYABVYXBYMTRV-RUZDIDTESA-N 2 0 393.575 3.357 10 0 GGAERP COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000120636032 1413861651 /nfs/dbraw/zinc/86/16/51/1413861651.db2.gz FOJNDEHMNQAQRN-PGRDOPGGSA-N 2 0 398.547 3.381 10 0 GGAERP COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000120636200 1413861684 /nfs/dbraw/zinc/86/16/84/1413861684.db2.gz FOJNDEHMNQAQRN-XMSQKQJNSA-N 2 0 398.547 3.381 10 0 GGAERP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000120652565 1413866367 /nfs/dbraw/zinc/86/63/67/1413866367.db2.gz DRUBJKQRKZGBCO-UTKZUKDTSA-N 2 0 382.504 3.093 10 0 GGAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@@H](n4ccnc4)C3)cc2)CC1 ZINC000123407482 1414721216 /nfs/dbraw/zinc/72/12/16/1414721216.db2.gz CTDPOZHFPCWLHQ-UGKGYDQZSA-N 2 0 395.551 3.137 10 0 GGAERP CCCOc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1OC ZINC000126034371 1415341225 /nfs/dbraw/zinc/34/12/25/1415341225.db2.gz BUAXWUQDPMYZGU-UHFFFAOYSA-N 2 0 375.557 3.132 10 0 GGAERP O=C(C1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000134566676 1417088304 /nfs/dbraw/zinc/08/83/04/1417088304.db2.gz HCZUJJYHWYIJEY-OAQYLSRUSA-N 2 0 385.552 3.042 10 0 GGAERP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000136599554 1417331278 /nfs/dbraw/zinc/33/12/78/1417331278.db2.gz BWGVTWKVEKZQBU-SFTDATJTSA-N 2 0 382.508 3.126 10 0 GGAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CN(Cc2ccccc2)C1 ZINC000136901144 1417353848 /nfs/dbraw/zinc/35/38/48/1417353848.db2.gz HCWYBBIKUTZNJE-ZPZUNKDASA-N 2 0 393.575 3.253 10 0 GGAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000155896551 1423582756 /nfs/dbraw/zinc/58/27/56/1423582756.db2.gz ANBPFASSXPXMBC-LBPRGKRZSA-N 2 0 394.279 3.193 10 0 GGAERP COC[C@@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1cccc(OC)c1OC)CC2 ZINC000169782603 1425255843 /nfs/dbraw/zinc/25/58/43/1425255843.db2.gz CLXQBKFNRLBOFH-IBGZPJMESA-N 2 0 388.552 3.417 10 0 GGAERP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc(OC)c(OC)c1Cl)CC2 ZINC000169789855 1425257923 /nfs/dbraw/zinc/25/79/23/1425257923.db2.gz IWXCUCYYTMWRPK-MRXNPFEDSA-N 2 0 382.932 3.147 10 0 GGAERP CCOc1cc2c(cc1C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)O[C@@H](C)C2 ZINC000173951986 1426906339 /nfs/dbraw/zinc/90/63/39/1426906339.db2.gz OKQDAIJQFGWHTF-SFHVURJKSA-N 2 0 388.552 3.486 10 0 GGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000236949990 1433383877 /nfs/dbraw/zinc/38/38/77/1433383877.db2.gz GKMQNZMBTGDSGH-FQEVSTJZSA-N 2 0 382.552 3.024 10 0 GGAERP O=C(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)NCc1ccccc1 ZINC000245769939 1433514544 /nfs/dbraw/zinc/51/45/44/1433514544.db2.gz XAZYJTRDOALTOW-WBDAEOGXSA-N 2 0 377.532 3.478 10 0 GGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1n1ccnc1 ZINC000246914998 1433686976 /nfs/dbraw/zinc/68/69/76/1433686976.db2.gz BOQYGGIQNOBAEJ-DENIHFKCSA-N 2 0 380.536 3.247 10 0 GGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1n1ccnc1 ZINC000246915047 1433686981 /nfs/dbraw/zinc/68/69/81/1433686981.db2.gz BOQYGGIQNOBAEJ-SIKLNZKXSA-N 2 0 380.536 3.247 10 0 GGAERP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)C(C)C)cc1 ZINC000246924220 1433687842 /nfs/dbraw/zinc/68/78/42/1433687842.db2.gz BSDURJYCWWXUGE-NQSCKRDGSA-N 2 0 384.524 3.288 10 0 GGAERP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC[C@H](C[N@@H+](C)Cc3ccncc3)O2)CC1 ZINC000257187484 1433894160 /nfs/dbraw/zinc/89/41/60/1433894160.db2.gz BJDGLVQQTFMFSX-HXUWFJFHSA-N 2 0 383.540 3.067 10 0 GGAERP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC[C@@H](C[N@@H+](C)Cc3ccncc3)O2)CC1 ZINC000257187482 1433894213 /nfs/dbraw/zinc/89/42/13/1433894213.db2.gz BJDGLVQQTFMFSX-FQEVSTJZSA-N 2 0 383.540 3.067 10 0 GGAERP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(N2CCOCC2)c1 ZINC000268753463 1434553396 /nfs/dbraw/zinc/55/33/96/1434553396.db2.gz CZNIXZMNSOQMHZ-IBGZPJMESA-N 2 0 383.536 3.314 10 0 GGAERP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1OC ZINC000280795745 1435721877 /nfs/dbraw/zinc/72/18/77/1435721877.db2.gz GWEZKQDEQONEKZ-ROUUACIJSA-N 2 0 389.584 3.344 10 0 GGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000480500292 1126094980 /nfs/dbraw/zinc/09/49/80/1126094980.db2.gz QMAZNUNFDVAHBH-QFIPXVFZSA-N 2 0 385.527 3.051 10 0 GGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000680121100 1126105659 /nfs/dbraw/zinc/10/56/59/1126105659.db2.gz QYMJUBHYXDSRSS-OALUTQOASA-N 2 0 390.409 3.200 10 0 GGAERP C[N@H+](Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1)Cc1ccccn1 ZINC000012306574 204393590 /nfs/dbraw/zinc/39/35/90/204393590.db2.gz DPTMRROKHUGGLB-JOCHJYFZSA-N 2 0 383.536 3.329 10 0 GGAERP C[N@H+](Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1)Cc1ccccn1 ZINC000012306572 204393863 /nfs/dbraw/zinc/39/38/63/204393863.db2.gz DPTMRROKHUGGLB-QFIPXVFZSA-N 2 0 383.536 3.329 10 0 GGAERP COc1cc(C[NH2+]CCc2ccc(C)cc2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012459337 204845617 /nfs/dbraw/zinc/84/56/17/204845617.db2.gz JCPZGBWLSBJIBH-JOCHJYFZSA-N 2 0 398.547 3.171 10 0 GGAERP Cc1sc2nc(CC[NH3+])nc(N(CC[NH+](C)C)Cc3ccccc3)c2c1C ZINC000055255712 205146423 /nfs/dbraw/zinc/14/64/23/205146423.db2.gz AZLVRUAQHQKMBE-UHFFFAOYSA-N 2 0 383.565 3.378 10 0 GGAERP COc1cccc2cc(C[NH2+]Cc3ccc(N4CCC[N@H+](C)CC4)nc3)oc21 ZINC000065566987 205238189 /nfs/dbraw/zinc/23/81/89/205238189.db2.gz IYASWYAUNVQEFL-UHFFFAOYSA-N 2 0 380.492 3.268 10 0 GGAERP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000154575600 565044808 /nfs/dbraw/zinc/04/48/08/565044808.db2.gz PTTFGFTXXSWINK-GUYCJALGSA-N 2 0 391.313 3.446 10 0 GGAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000155081719 565061410 /nfs/dbraw/zinc/06/14/10/565061410.db2.gz YXILIQRQXQCYTD-MRXNPFEDSA-N 2 0 387.355 3.116 10 0 GGAERP C[NH+]1CCC(C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CC1 ZINC000186175898 565244475 /nfs/dbraw/zinc/24/44/75/565244475.db2.gz IBSKIGSHZFYIPE-GOSISDBHSA-N 2 0 375.314 3.260 10 0 GGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000295423096 565264876 /nfs/dbraw/zinc/26/48/76/565264876.db2.gz OBDGNOHEMCXEBT-DYVFJYSZSA-N 2 0 384.337 3.191 10 0 GGAERP Cn1ncc(Br)c1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000278575278 565567468 /nfs/dbraw/zinc/56/74/68/565567468.db2.gz XTXMALLRZYEKQQ-UHFFFAOYSA-N 2 0 383.359 3.246 10 0 GGAERP COc1cc(Br)c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000321955712 565608102 /nfs/dbraw/zinc/60/81/02/565608102.db2.gz HSMITTXHVFFVGX-XJKSGUPXSA-N 2 0 383.330 3.430 10 0 GGAERP COC(=O)c1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000322966532 565612019 /nfs/dbraw/zinc/61/20/19/565612019.db2.gz QAWSLVVITZJCFD-MQVJKMGUSA-N 2 0 381.314 3.341 10 0 GGAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000192924316 565719607 /nfs/dbraw/zinc/71/96/07/565719607.db2.gz AWYUQOYMXQISOX-AWEZNQCLSA-N 2 0 380.330 3.483 10 0 GGAERP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000177881645 565878586 /nfs/dbraw/zinc/87/85/86/565878586.db2.gz LJSUCMTZQDPEJW-SFHVURJKSA-N 2 0 396.373 3.278 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000414074316 565891945 /nfs/dbraw/zinc/89/19/45/565891945.db2.gz OALXWNVEKOFHJO-HZPDHXFCSA-N 2 0 384.362 3.244 10 0 GGAERP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000414206653 565903145 /nfs/dbraw/zinc/90/31/45/565903145.db2.gz YPALLORJGUBPND-OAHLLOKOSA-N 2 0 386.367 3.441 10 0 GGAERP CCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1ccccc1Br ZINC000414733379 565957383 /nfs/dbraw/zinc/95/73/83/565957383.db2.gz ATKJOJSSRJSULE-JKSUJKDBSA-N 2 0 396.373 3.419 10 0 GGAERP CCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1ccccc1Br ZINC000414733373 565957732 /nfs/dbraw/zinc/95/77/32/565957732.db2.gz ATKJOJSSRJSULE-CVEARBPZSA-N 2 0 396.373 3.419 10 0 GGAERP CCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1ccccc1Br ZINC000414733377 565958036 /nfs/dbraw/zinc/95/80/36/565958036.db2.gz ATKJOJSSRJSULE-HZPDHXFCSA-N 2 0 396.373 3.419 10 0 GGAERP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCOc1cccc(I)c1 ZINC000414982144 565968110 /nfs/dbraw/zinc/96/81/10/565968110.db2.gz YMKXWLTXWIJASK-OAHLLOKOSA-N 2 0 388.293 3.038 10 0 GGAERP Clc1cc(Br)ccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061597 565971783 /nfs/dbraw/zinc/97/17/83/565971783.db2.gz YTMJVUZNKYCERO-UHFFFAOYSA-N 2 0 386.765 3.409 10 0 GGAERP Clc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1Br ZINC000415054463 565972146 /nfs/dbraw/zinc/97/21/46/565972146.db2.gz NNBJPRJYLXXKPK-UHFFFAOYSA-N 2 0 386.765 3.409 10 0 GGAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000245614170 565999039 /nfs/dbraw/zinc/99/90/39/565999039.db2.gz CLUINTGQHDSLSZ-QFBILLFUSA-N 2 0 386.367 3.129 10 0 GGAERP Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246585267 566034118 /nfs/dbraw/zinc/03/41/18/566034118.db2.gz CKGZTUAMTNCNGJ-WMLDXEAASA-N 2 0 380.330 3.112 10 0 GGAERP Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)Nc1ccccc1Br ZINC000246920539 566045972 /nfs/dbraw/zinc/04/59/72/566045972.db2.gz GNOPACSRLRFKOW-UKRRQHHQSA-N 2 0 391.313 3.446 10 0 GGAERP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCN1C ZINC000247012148 566050186 /nfs/dbraw/zinc/05/01/86/566050186.db2.gz KKCHEACLVOVWMT-XBFCOCLRSA-N 2 0 376.854 3.405 10 0 GGAERP CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc(Br)o3)o2)[C@@H](C)C1 ZINC000247268365 566056334 /nfs/dbraw/zinc/05/63/34/566056334.db2.gz VZCAKALRVKXAJY-RYUDHWBXSA-N 2 0 383.290 3.254 10 0 GGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261702333 566130910 /nfs/dbraw/zinc/13/09/10/566130910.db2.gz IOFLMCLZTWJKTR-LBTNJELSSA-N 2 0 382.346 3.002 10 0 GGAERP C[C@]1(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000261732936 566131857 /nfs/dbraw/zinc/13/18/57/566131857.db2.gz HJODUNYRAVEKHA-SFHVURJKSA-N 2 0 380.330 3.099 10 0 GGAERP C[C@@]1(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000261732932 566132361 /nfs/dbraw/zinc/13/23/61/566132361.db2.gz HJODUNYRAVEKHA-GOSISDBHSA-N 2 0 380.330 3.099 10 0 GGAERP C[C@]1(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)CC[NH2+]C1 ZINC000262035794 566144876 /nfs/dbraw/zinc/14/48/76/566144876.db2.gz ONXGVGRBYJIRDE-SFHVURJKSA-N 2 0 380.330 3.099 10 0 GGAERP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000181702963 566159862 /nfs/dbraw/zinc/15/98/62/566159862.db2.gz SUAPOYCTEKDWAA-UONOGXRCSA-N 2 0 380.330 3.482 10 0 GGAERP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000556155179 566272813 /nfs/dbraw/zinc/27/28/13/566272813.db2.gz XAVYDIQRPHTZNE-KRWDZBQOSA-N 2 0 384.337 3.193 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1Br ZINC000420383547 566276179 /nfs/dbraw/zinc/27/61/79/566276179.db2.gz DJVRCQFSRGPOPF-PBHICJAKSA-N 2 0 380.330 3.242 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1Br ZINC000420383552 566276843 /nfs/dbraw/zinc/27/68/43/566276843.db2.gz DJVRCQFSRGPOPF-YOEHRIQHSA-N 2 0 380.330 3.242 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc(Br)c1 ZINC000420397673 566276950 /nfs/dbraw/zinc/27/69/50/566276950.db2.gz MTZHEUDJBWUPTD-WMLDXEAASA-N 2 0 380.330 3.242 10 0 GGAERP C[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(C)(=O)=O ZINC000575848801 566292623 /nfs/dbraw/zinc/29/26/23/566292623.db2.gz RXKGAIFFHYLOAK-QKHUXGNCSA-N 2 0 384.973 3.277 10 0 GGAERP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000575989063 566305695 /nfs/dbraw/zinc/30/56/95/566305695.db2.gz LRQGCYPFRQJQPV-TXEJJXNPSA-N 2 0 375.822 3.229 10 0 GGAERP COc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000556939377 566348234 /nfs/dbraw/zinc/34/82/34/566348234.db2.gz YISMDBBALDIEPC-RNCFNFMXSA-N 2 0 392.135 3.308 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627085798 566463281 /nfs/dbraw/zinc/46/32/81/566463281.db2.gz WLVZJRPELKNMRI-SJLPKXTDSA-N 2 0 387.355 3.285 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)NCC1(C)CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000627084514 566463892 /nfs/dbraw/zinc/46/38/92/566463892.db2.gz UWCROCAAIWNEMY-INIZCTEOSA-N 2 0 387.355 3.285 10 0 GGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000422921389 566464677 /nfs/dbraw/zinc/46/46/77/566464677.db2.gz PNGLKEGJWOFYDA-RISCZKNCSA-N 2 0 387.307 3.338 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000627101250 566464809 /nfs/dbraw/zinc/46/48/09/566464809.db2.gz UDPYMKYKBHLXHA-PBHICJAKSA-N 2 0 387.355 3.428 10 0 GGAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422877402 566465032 /nfs/dbraw/zinc/46/50/32/566465032.db2.gz RINHGHVXOCMFSC-UXIGCNINSA-N 2 0 376.854 3.310 10 0 GGAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873979 566465197 /nfs/dbraw/zinc/46/51/97/566465197.db2.gz MVDGZKGYRYIAPL-WHOFXGATSA-N 2 0 376.854 3.440 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)NCCC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000627090462 566465427 /nfs/dbraw/zinc/46/54/27/566465427.db2.gz VFHRYEURTSSVGX-QGZVFWFLSA-N 2 0 385.339 3.205 10 0 GGAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000422934982 566467689 /nfs/dbraw/zinc/46/76/89/566467689.db2.gz GWUSUTUFPZMWEB-GJZGRUSLSA-N 2 0 397.357 3.291 10 0 GGAERP Clc1ccc(-c2nc(CC[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)cs2)cc1 ZINC000423018023 566469544 /nfs/dbraw/zinc/46/95/44/566469544.db2.gz XXPZHWFIHFQVIO-ZWKOTPCHSA-N 2 0 377.941 3.363 10 0 GGAERP Cc1cc(N2CCC[C@@H]([NH2+]C3CCC(C[NH3+])CC3)C2=O)ccc1Br ZINC000423046666 566470754 /nfs/dbraw/zinc/47/07/54/566470754.db2.gz FOVPLTMOMLTXEP-JTTJXQCZSA-N 2 0 394.357 3.360 10 0 GGAERP CCCN(C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000627219927 566473152 /nfs/dbraw/zinc/47/31/52/566473152.db2.gz JEDYFEBFLPCWBH-PBHICJAKSA-N 2 0 387.355 3.380 10 0 GGAERP COc1ccc(Br)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650721826 566473394 /nfs/dbraw/zinc/47/33/94/566473394.db2.gz CJJLYHTWZVYDPH-JFIYKMOQSA-N 2 0 383.330 3.319 10 0 GGAERP COc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723689 566474204 /nfs/dbraw/zinc/47/42/04/566474204.db2.gz RZQCJVNRDADUCA-OLMNPRSZSA-N 2 0 383.330 3.319 10 0 GGAERP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000650722565 566474321 /nfs/dbraw/zinc/47/43/21/566474321.db2.gz WOFOVEVWFAENRA-YXJHDRRASA-N 2 0 383.330 3.319 10 0 GGAERP COCC1(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000423407252 566489006 /nfs/dbraw/zinc/48/90/06/566489006.db2.gz MEWKXOIKBVLYGJ-INIZCTEOSA-N 2 0 383.330 3.269 10 0 GGAERP Brc1cccc2c1C[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000423516754 566492546 /nfs/dbraw/zinc/49/25/46/566492546.db2.gz XJLKIEZFHXEWSI-LXPRWKDFSA-N 2 0 392.385 3.112 10 0 GGAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Br)c(F)c1 ZINC000423519544 566492745 /nfs/dbraw/zinc/49/27/45/566492745.db2.gz PYCMOWCMMOCBDV-IUDNXUCKSA-N 2 0 384.337 3.455 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423525925 566492818 /nfs/dbraw/zinc/49/28/18/566492818.db2.gz YVBHMKFJIAFVFU-PBHICJAKSA-N 2 0 378.314 3.069 10 0 GGAERP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423525080 566493204 /nfs/dbraw/zinc/49/32/04/566493204.db2.gz XUQDAAMRJRHNHF-ZOJXTTQQSA-N 2 0 396.348 3.382 10 0 GGAERP CC(C)C[C@H]([NH2+][C@H](C)c1cccc(Br)c1)C(=O)NCC[NH+](C)C ZINC000538546092 566519680 /nfs/dbraw/zinc/51/96/80/566519680.db2.gz NKVWBKGEXCUZHJ-PBHICJAKSA-N 2 0 384.362 3.192 10 0 GGAERP CC(C)C[C@H]([NH2+][C@H](C)c1ccccc1Br)C(=O)NCC[NH+](C)C ZINC000538545927 566520395 /nfs/dbraw/zinc/52/03/95/566520395.db2.gz BSFFQVBFEYHWHM-PBHICJAKSA-N 2 0 384.362 3.192 10 0 GGAERP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449079378 566526953 /nfs/dbraw/zinc/52/69/53/566526953.db2.gz YMGJSQOROXAOFU-KRWDZBQOSA-N 2 0 384.337 3.191 10 0 GGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449080797 566527848 /nfs/dbraw/zinc/52/78/48/566527848.db2.gz ZHVLPMSYFLCOIU-CXAGYDPISA-N 2 0 384.337 3.191 10 0 GGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449128768 566531310 /nfs/dbraw/zinc/53/13/10/566531310.db2.gz AONKCUADLVRLOM-KDOFPFPSSA-N 2 0 398.364 3.439 10 0 GGAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449150496 566533226 /nfs/dbraw/zinc/53/32/26/566533226.db2.gz RLGROFQLSZKZLJ-SUMWQHHRSA-N 2 0 385.321 3.402 10 0 GGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOc2ccc(Br)cc2)C1 ZINC000652360194 566605905 /nfs/dbraw/zinc/60/59/05/566605905.db2.gz CLPHRPCBHHNLBD-KBAYOESNSA-N 2 0 383.330 3.189 10 0 GGAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc(Br)c1OC ZINC000513708562 566619160 /nfs/dbraw/zinc/61/91/60/566619160.db2.gz TZJUHBAEWKMBNP-FVQBIDKESA-N 2 0 383.330 3.429 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@@H]2CCC[C@H]21 ZINC000513713695 566619714 /nfs/dbraw/zinc/61/97/14/566619714.db2.gz RWONHAOKMPEPNJ-CWRNSKLLSA-N 2 0 381.314 3.183 10 0 GGAERP COc1cc(Br)ccc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000514238252 566649061 /nfs/dbraw/zinc/64/90/61/566649061.db2.gz QUHPOOHJGVCOBI-HUUCEWRRSA-N 2 0 385.346 3.437 10 0 GGAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000514600356 566654690 /nfs/dbraw/zinc/65/46/90/566654690.db2.gz UZDHNOHGYFIOHZ-INIZCTEOSA-N 2 0 375.340 3.445 10 0 GGAERP Brc1ccc(S[C@@H]2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000629547199 566664419 /nfs/dbraw/zinc/66/44/19/566664419.db2.gz FIZXSXSBCFUQOB-GDBMZVCRSA-N 2 0 383.355 3.137 10 0 GGAERP [NH3+]C1(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CCOCC1 ZINC000629525572 566664501 /nfs/dbraw/zinc/66/45/01/566664501.db2.gz WTMLRLIQXAZQSA-QGZVFWFLSA-N 2 0 383.330 3.014 10 0 GGAERP [NH3+]C1(C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CCOCC1 ZINC000629521802 566664864 /nfs/dbraw/zinc/66/48/64/566664864.db2.gz UQYBAQBUYCDFSP-MRXNPFEDSA-N 2 0 378.314 3.405 10 0 GGAERP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000629581681 566667112 /nfs/dbraw/zinc/66/71/12/566667112.db2.gz FVHQVFWJBQBYPM-AAEUAGOBSA-N 2 0 379.302 3.404 10 0 GGAERP CO[C@@H](CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C(F)(F)F ZINC000468616306 566715722 /nfs/dbraw/zinc/71/57/22/566715722.db2.gz XTYUPWMAWPHZTO-INIZCTEOSA-N 2 0 379.854 3.149 10 0 GGAERP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C2CC([NH+](C)C)C2)CC1 ZINC000516663208 566774713 /nfs/dbraw/zinc/77/47/13/566774713.db2.gz HWKUXNFVGKSSIX-UHFFFAOYSA-N 2 0 394.357 3.044 10 0 GGAERP C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)cn1 ZINC000582235388 566842561 /nfs/dbraw/zinc/84/25/61/566842561.db2.gz CHCAZGJYGOHDJD-PNPHSEOMSA-N 2 0 389.297 3.146 10 0 GGAERP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000582241807 566844083 /nfs/dbraw/zinc/84/40/83/566844083.db2.gz KMPCMNWBTFGRHR-LJISPDSOSA-N 2 0 384.351 3.491 10 0 GGAERP O=C(CC[NH2+]C1CC([NH+]2CCCCC2)C1)Nc1cccc(Br)c1 ZINC000563002287 566844444 /nfs/dbraw/zinc/84/44/44/566844444.db2.gz FZDCWNGVFCQFNX-UHFFFAOYSA-N 2 0 380.330 3.384 10 0 GGAERP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCCN(C)C2)CC1 ZINC000680635219 566923333 /nfs/dbraw/zinc/92/33/33/566923333.db2.gz KFXCJRUNDIRCMF-KRWDZBQOSA-N 2 0 394.357 3.046 10 0 GGAERP COc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Br)c1O ZINC000656783373 566949851 /nfs/dbraw/zinc/94/98/51/566949851.db2.gz QKIHPUXBXYXBIG-AWEZNQCLSA-N 2 0 383.330 3.375 10 0 GGAERP CCC[NH+]1CCC(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000583747714 566980076 /nfs/dbraw/zinc/98/00/76/566980076.db2.gz AZLKRRPGVVGIMM-UHFFFAOYSA-N 2 0 382.346 3.489 10 0 GGAERP CC(C)C[C@H]([NH2+][C@@H](C)c1cc(Br)cs1)C(=O)NCC[NH+](C)C ZINC000494649679 567015771 /nfs/dbraw/zinc/01/57/71/567015771.db2.gz RGAYGQOCIDPNSX-JSGCOSHPSA-N 2 0 390.391 3.254 10 0 GGAERP COc1c(Br)cccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537425 567067061 /nfs/dbraw/zinc/06/70/61/567067061.db2.gz KNQFJYPTDNCRFS-UHFFFAOYSA-N 2 0 397.357 3.438 10 0 GGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000657573786 567073173 /nfs/dbraw/zinc/07/31/73/567073173.db2.gz UKGBLQLDJRRXRY-HNNXBMFYSA-N 2 0 393.373 3.359 10 0 GGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)cc3)cc2)C1 ZINC000657593777 567074106 /nfs/dbraw/zinc/07/41/06/567074106.db2.gz KRFPFOMOQVNPAU-LJQANCHMSA-N 2 0 375.310 3.306 10 0 GGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(Br)c3)cc2)C1 ZINC000657593346 567074259 /nfs/dbraw/zinc/07/42/59/567074259.db2.gz GBOOFHLIIQENHL-LJQANCHMSA-N 2 0 375.310 3.306 10 0 GGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(F)c(Br)c3)cc2)C1 ZINC000657595983 567074655 /nfs/dbraw/zinc/07/46/55/567074655.db2.gz SUBFHAVFFXPTRI-QGZVFWFLSA-N 2 0 393.300 3.445 10 0 GGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccc3Br)cc2)C1 ZINC000657596741 567074916 /nfs/dbraw/zinc/07/49/16/567074916.db2.gz YJTLZGRUMIQYFB-SFHVURJKSA-N 2 0 375.310 3.306 10 0 GGAERP Cc1c(Br)cncc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657594493 567075217 /nfs/dbraw/zinc/07/52/17/567075217.db2.gz AUEDBLXHJRXEOP-SFHVURJKSA-N 2 0 390.325 3.009 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)[C@H]2CCC[C@H]21 ZINC000453367423 567079537 /nfs/dbraw/zinc/07/95/37/567079537.db2.gz MMFZCPKHVCFETQ-VLDUQVBPSA-N 2 0 399.348 3.202 10 0 GGAERP Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)c1Br ZINC000682900139 567080639 /nfs/dbraw/zinc/08/06/39/567080639.db2.gz SZIJRZYMYZPSHG-UHFFFAOYSA-N 2 0 398.389 3.412 10 0 GGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cncc(Br)c1 ZINC000657894115 567103859 /nfs/dbraw/zinc/10/38/59/567103859.db2.gz WAQLYFMRTKMBQT-MRXNPFEDSA-N 2 0 395.389 3.445 10 0 GGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)cn1 ZINC000658141088 567123553 /nfs/dbraw/zinc/12/35/53/567123553.db2.gz WEWNCWNWZSWAHK-RDTXWAMCSA-N 2 0 390.325 3.262 10 0 GGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140619 567123784 /nfs/dbraw/zinc/12/37/84/567123784.db2.gz VNODHFDKAYLBER-AUUYWEPGSA-N 2 0 390.325 3.262 10 0 GGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140620 567124651 /nfs/dbraw/zinc/12/46/51/567124651.db2.gz VNODHFDKAYLBER-IFXJQAMLSA-N 2 0 390.325 3.262 10 0 GGAERP Brc1ccc(-n2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)cc1 ZINC000566915318 567201624 /nfs/dbraw/zinc/20/16/24/567201624.db2.gz IKLKLPAQKCNHRO-IYBDPMFKSA-N 2 0 375.314 3.066 10 0 GGAERP C[NH+](C)CC1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000567687522 567266544 /nfs/dbraw/zinc/26/65/44/567266544.db2.gz QOGBMOCCFZUCRF-UHFFFAOYSA-N 2 0 382.346 3.488 10 0 GGAERP CN1CC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638838390 567275095 /nfs/dbraw/zinc/27/50/95/567275095.db2.gz HVKLIPRAHZADJM-OALUTQOASA-N 2 0 378.358 3.436 10 0 GGAERP Ic1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000591579214 567286552 /nfs/dbraw/zinc/28/65/52/567286552.db2.gz BHAIUDQRCQMQOS-GOEBONIOSA-N 2 0 398.288 3.237 10 0 GGAERP C[NH+](C)CC1CCC([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000685619210 567289456 /nfs/dbraw/zinc/28/94/56/567289456.db2.gz XOOOPKNQDZUOPW-UHFFFAOYSA-N 2 0 392.345 3.240 10 0 GGAERP Clc1cc(I)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000592470665 567341165 /nfs/dbraw/zinc/34/11/65/567341165.db2.gz BSHJLLQRIKZFDE-VHRBIJSZSA-N 2 0 390.696 3.422 10 0 GGAERP Brc1sccc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000527650191 567354313 /nfs/dbraw/zinc/35/43/13/567354313.db2.gz NYISMMFQROIGMG-UHFFFAOYSA-N 2 0 395.370 3.208 10 0 GGAERP COCCN1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527654968 567356764 /nfs/dbraw/zinc/35/67/64/567356764.db2.gz VKTCWLSCBJUUQG-ZDUSSCGKSA-N 2 0 399.358 3.101 10 0 GGAERP O[C@H]1CC[N@@H+](C2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)C1 ZINC000662159408 567415193 /nfs/dbraw/zinc/41/51/93/567415193.db2.gz ZUFTUGJKPURYOO-SOHNTWGLSA-N 2 0 379.342 3.383 10 0 GGAERP C[NH+](C)CC1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000569594792 567416224 /nfs/dbraw/zinc/41/62/24/567416224.db2.gz BZSDXAYKTPGQHR-UHFFFAOYSA-N 2 0 382.346 3.488 10 0 GGAERP Brc1cnn(C2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)c1 ZINC000662255957 567422414 /nfs/dbraw/zinc/42/24/14/567422414.db2.gz SUOTWSJWSMSMDZ-UHFFFAOYSA-N 2 0 375.314 3.128 10 0 GGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ncc(Br)cc3Cl)C2)C1 ZINC000662285441 567423592 /nfs/dbraw/zinc/42/35/92/567423592.db2.gz JUCZOFWOBXUJRG-KFNAQCHYSA-N 2 0 388.737 3.216 10 0 GGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ncc(Br)cc2Cl)C1 ZINC000662285006 567424433 /nfs/dbraw/zinc/42/44/33/567424433.db2.gz TZQFMURESZRBLI-DAXOMENPSA-N 2 0 388.737 3.358 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1cccc(Br)c1 ZINC000662294543 567426100 /nfs/dbraw/zinc/42/61/00/567426100.db2.gz QRPAZWWRUJDVRK-MRXNPFEDSA-N 2 0 394.357 3.489 10 0 GGAERP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC/C=C\C[NH3+] ZINC000641865014 567458717 /nfs/dbraw/zinc/45/87/17/567458717.db2.gz NJHYFFUWDVMBMR-WAYWQWQTSA-N 2 0 387.355 3.362 10 0 GGAERP CC[N@@H+]1CC[C@H](N(C)C(=O)c2sc3c(c2Br)CNC3)C[C@H]1C ZINC000662743904 567460516 /nfs/dbraw/zinc/46/05/16/567460516.db2.gz WZXTUZKPQNZWEZ-MNOVXSKESA-N 2 0 386.359 3.059 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000550887799 567468500 /nfs/dbraw/zinc/46/85/00/567468500.db2.gz UCJNCECZECATLO-BRWVUGGUSA-N 2 0 398.389 3.347 10 0 GGAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000551304622 567496534 /nfs/dbraw/zinc/49/65/34/567496534.db2.gz KQLVZRZLVUIFDF-HNNXBMFYSA-N 2 0 396.373 3.386 10 0 GGAERP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)COc1c(Cl)cccc1Cl ZINC000663373989 567502560 /nfs/dbraw/zinc/50/25/60/567502560.db2.gz AJGNPKLKQQJNSH-INIZCTEOSA-N 2 0 387.351 3.445 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(Cl)c1 ZINC000529383543 567511458 /nfs/dbraw/zinc/51/14/58/567511458.db2.gz HTDRKHVAKVUEKY-KEYYUXOJSA-N 2 0 385.339 3.132 10 0 GGAERP Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCC12CC(C1)C[NH2+]2 ZINC000663497521 567512133 /nfs/dbraw/zinc/51/21/33/567512133.db2.gz GPSABESQTFXFKI-UHFFFAOYSA-N 2 0 375.314 3.093 10 0 GGAERP COc1c(Br)cc(Br)cc1CNCC12CC(C1)C[NH2+]2 ZINC000663498624 567512704 /nfs/dbraw/zinc/51/27/04/567512704.db2.gz QOYWDVFMQDOUOP-UHFFFAOYSA-N 2 0 390.119 3.062 10 0 GGAERP CC(C)([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000438670494 567540524 /nfs/dbraw/zinc/54/05/24/567540524.db2.gz WEJSYMZXIPQRKC-UHFFFAOYSA-N 2 0 394.357 3.017 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@@H]2CCC[C@@H]21 ZINC000552049114 567553692 /nfs/dbraw/zinc/55/36/92/567553692.db2.gz LTQSQZPIEKZSAM-BZSNNMDCSA-N 2 0 394.357 3.031 10 0 GGAERP O[C@H]1CC[N@@H+](C2CCN(c3nccc4cc(Br)ccc43)CC2)C1 ZINC000664596269 567577518 /nfs/dbraw/zinc/57/75/18/567577518.db2.gz IHQVVWQXIYKMLM-INIZCTEOSA-N 2 0 376.298 3.033 10 0 GGAERP Brc1cnn(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000552333953 567579117 /nfs/dbraw/zinc/57/91/17/567579117.db2.gz UBOARXXYZQJGKW-REPLKXPHSA-N 2 0 389.341 3.431 10 0 GGAERP CCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Br)c1OC ZINC000572038566 567608968 /nfs/dbraw/zinc/60/89/68/567608968.db2.gz MCPQVVCJNGCCHE-GASCZTMLSA-N 2 0 383.330 3.288 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000665285191 567615415 /nfs/dbraw/zinc/61/54/15/567615415.db2.gz GGVNQDCXOSVRQF-CQSZACIVSA-N 2 0 382.346 3.090 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000665287806 567615641 /nfs/dbraw/zinc/61/56/41/567615641.db2.gz VDRKQXBZKYSYCL-QGZVFWFLSA-N 2 0 381.973 3.457 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000665285252 567615972 /nfs/dbraw/zinc/61/59/72/567615972.db2.gz HRCQCKLKLKMBOG-CQSZACIVSA-N 2 0 382.346 3.090 10 0 GGAERP C[NH+]1CCC(C[NH2+]Cc2cccc(O)c2Br)(N2CCCCC2)CC1 ZINC000459421612 567624206 /nfs/dbraw/zinc/62/42/06/567624206.db2.gz MLDFOCFAUCDQQU-UHFFFAOYSA-N 2 0 396.373 3.195 10 0 GGAERP Cn1cncc1CC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000459491751 567629282 /nfs/dbraw/zinc/62/92/82/567629282.db2.gz VGTWQXBZGMZHGU-OAHLLOKOSA-N 2 0 395.288 3.132 10 0 GGAERP Cn1cncc1CC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000459491749 567629810 /nfs/dbraw/zinc/62/98/10/567629810.db2.gz VGTWQXBZGMZHGU-HNNXBMFYSA-N 2 0 395.288 3.132 10 0 GGAERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2sc(C)cc2Br)CC[NH2+]CC1 ZINC000596651816 567647073 /nfs/dbraw/zinc/64/70/73/567647073.db2.gz OBOHXXBNEMZJAF-GFCCVEGCSA-N 2 0 389.359 3.230 10 0 GGAERP COc1cc(Br)ccc1CCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105683 567695450 /nfs/dbraw/zinc/69/54/50/567695450.db2.gz CLEANZVMUBOADH-UHFFFAOYSA-N 2 0 397.357 3.187 10 0 GGAERP C[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1(C)C ZINC000623392529 567706610 /nfs/dbraw/zinc/70/66/10/567706610.db2.gz GVUXMOQBUUVEQU-MRXNPFEDSA-N 2 0 382.346 3.031 10 0 GGAERP C[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1(C)C ZINC000623396448 567707806 /nfs/dbraw/zinc/70/78/06/567707806.db2.gz SKAXCBAGHYHESP-MRXNPFEDSA-N 2 0 382.346 3.031 10 0 GGAERP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623412881 567709331 /nfs/dbraw/zinc/70/93/31/567709331.db2.gz BBOWOFOAXQBJQV-MRXNPFEDSA-N 2 0 396.373 3.260 10 0 GGAERP Cc1cc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)ncc1Br ZINC000623432093 567710599 /nfs/dbraw/zinc/71/05/99/567710599.db2.gz CYNLYKQPIZBDTH-UHFFFAOYSA-N 2 0 395.389 3.192 10 0 GGAERP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952083 567714069 /nfs/dbraw/zinc/71/40/69/567714069.db2.gz FJZKFWHPXZPPPO-QGZVFWFLSA-N 2 0 383.330 3.096 10 0 GGAERP CCCOc1c(Br)cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666950713 567714379 /nfs/dbraw/zinc/71/43/79/567714379.db2.gz CEDPKFSFNJLBAR-INIZCTEOSA-N 2 0 383.330 3.478 10 0 GGAERP COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541407 567720598 /nfs/dbraw/zinc/72/05/98/567720598.db2.gz HYXJNBMQWVENKH-HZPDHXFCSA-N 2 0 399.373 3.071 10 0 GGAERP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623542229 567720746 /nfs/dbraw/zinc/72/07/46/567720746.db2.gz SCSNILHNECWLNA-WMLDXEAASA-N 2 0 399.373 3.071 10 0 GGAERP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(I)cc2)CC1(C)C ZINC000598980830 567802256 /nfs/dbraw/zinc/80/22/56/567802256.db2.gz YFSRLRWFIXHXEI-CQSZACIVSA-N 2 0 388.293 3.132 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1F ZINC000647902024 567805671 /nfs/dbraw/zinc/80/56/71/567805671.db2.gz YUGZVIJDBMKWKX-CJNGLKHVSA-N 2 0 398.320 3.381 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc(Br)c1 ZINC000647902905 567806151 /nfs/dbraw/zinc/80/61/51/567806151.db2.gz DJUGEOYUEUBYDV-PBHICJAKSA-N 2 0 380.330 3.242 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc(Br)c1 ZINC000647902906 567806265 /nfs/dbraw/zinc/80/62/65/567806265.db2.gz DJUGEOYUEUBYDV-RHSMWYFYSA-N 2 0 380.330 3.242 10 0 GGAERP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccnc2)C[C@H](C)O1 ZINC000237776074 570396090 /nfs/dbraw/zinc/39/60/90/570396090.db2.gz UUMRINVWULRCQU-ROUUACIJSA-N 2 0 391.519 3.371 10 0 GGAERP CCOc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccc(Cl)cc1 ZINC000013732857 570783508 /nfs/dbraw/zinc/78/35/08/570783508.db2.gz JHWDATHKFIKVGD-UHFFFAOYSA-N 2 0 392.927 3.379 10 0 GGAERP COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1c(F)cccc1Cl ZINC000013733090 570783724 /nfs/dbraw/zinc/78/37/24/570783724.db2.gz GOTOTFCVZMHMBC-UHFFFAOYSA-N 2 0 396.890 3.128 10 0 GGAERP CCOc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccccc1Cl ZINC000013732860 570783773 /nfs/dbraw/zinc/78/37/73/570783773.db2.gz UCRFWKZGPONFOQ-UHFFFAOYSA-N 2 0 392.927 3.379 10 0 GGAERP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000048717241 1405267284 /nfs/dbraw/zinc/26/72/84/1405267284.db2.gz FMLVYLCJSLGXKC-UHFFFAOYSA-N 2 0 376.884 3.341 10 0 GGAERP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc(OC(F)F)c3)cc2)CC1 ZINC000057965634 1407762397 /nfs/dbraw/zinc/76/23/97/1407762397.db2.gz BOSZHBFOMJGAQM-UHFFFAOYSA-N 2 0 375.463 3.325 10 0 GGAERP Cn1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c(-c2cccnc2)n1 ZINC000063551430 1408371760 /nfs/dbraw/zinc/37/17/60/1408371760.db2.gz CJAYBWCWKXPPMO-UHFFFAOYSA-N 2 0 375.520 3.484 10 0 GGAERP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)[NH+](C)C)cc1 ZINC000176458041 1428326128 /nfs/dbraw/zinc/32/61/28/1428326128.db2.gz AIJDLPIZYSNMIS-FQEVSTJZSA-N 2 0 388.581 3.433 10 0 GGAERP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)[NH+](C)C)cc1 ZINC000176458029 1428326345 /nfs/dbraw/zinc/32/63/45/1428326345.db2.gz AIJDLPIZYSNMIS-HXUWFJFHSA-N 2 0 388.581 3.433 10 0 GGAERP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000067120810 1409013463 /nfs/dbraw/zinc/01/34/63/1409013463.db2.gz BVIUIFXURSSKLE-UHFFFAOYSA-N 2 0 381.520 3.072 10 0 GGAERP CN(C)C(=O)COc1ccccc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000067185053 1409035283 /nfs/dbraw/zinc/03/52/83/1409035283.db2.gz GDNVAZKITUGEKC-UHFFFAOYSA-N 2 0 395.547 3.429 10 0 GGAERP COc1ccc(C2(C[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)CCOCC2)cc1 ZINC000067253107 1409053746 /nfs/dbraw/zinc/05/37/46/1409053746.db2.gz DYUFBLOWSXBZOA-UHFFFAOYSA-N 2 0 398.547 3.474 10 0 GGAERP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccnc2OCC(F)(F)F)cc1 ZINC000069678341 1409673689 /nfs/dbraw/zinc/67/36/89/1409673689.db2.gz BPOIMDMBPBGKSY-UHFFFAOYSA-N 2 0 383.414 3.253 10 0 GGAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2csc(C(C)(C)C)n2)CC1 ZINC000080373704 1410004988 /nfs/dbraw/zinc/00/49/88/1410004988.db2.gz DCIQVBPDJRFKHQ-UHFFFAOYSA-N 2 0 380.602 3.157 10 0 GGAERP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000095452457 1410311151 /nfs/dbraw/zinc/31/11/51/1410311151.db2.gz BXXRRMJKRKGQLS-WOJBJXKFSA-N 2 0 389.584 3.323 10 0 GGAERP Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000103343244 1410849924 /nfs/dbraw/zinc/84/99/24/1410849924.db2.gz BEXCSUUQMMTXJJ-UHFFFAOYSA-N 2 0 389.547 3.422 10 0 GGAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000105451270 1411067158 /nfs/dbraw/zinc/06/71/58/1411067158.db2.gz HTEOAVBFXCRLIC-UHFFFAOYSA-N 2 0 382.552 3.024 10 0 GGAERP FC(F)(F)CN1CC[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000120778080 1413899984 /nfs/dbraw/zinc/89/99/84/1413899984.db2.gz FZNKMNCCHVLUKZ-SFHVURJKSA-N 2 0 385.474 3.135 10 0 GGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000122153065 1414375088 /nfs/dbraw/zinc/37/50/88/1414375088.db2.gz CDESZMWORQDXOV-MOPGFXCFSA-N 2 0 377.529 3.162 10 0 GGAERP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000124793499 1415045326 /nfs/dbraw/zinc/04/53/26/1415045326.db2.gz BAUYAWPUDYZHDL-DSLXNQLJSA-N 2 0 397.485 3.476 10 0 GGAERP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000124793744 1415045589 /nfs/dbraw/zinc/04/55/89/1415045589.db2.gz BAUYAWPUDYZHDL-XGXHKWSGSA-N 2 0 397.485 3.476 10 0 GGAERP CCCCn1nc(C)c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1Cl ZINC000126039304 1415341866 /nfs/dbraw/zinc/34/18/66/1415341866.db2.gz BZSYPWKJZZLRGA-UHFFFAOYSA-N 2 0 381.996 3.293 10 0 GGAERP CCCOc1c(Cl)cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000128588583 1416020120 /nfs/dbraw/zinc/02/01/20/1416020120.db2.gz HRJGGYJNUGFEQL-IBGZPJMESA-N 2 0 397.991 3.499 10 0 GGAERP Cc1nccn1CCC[N@@H+](C)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000130703943 1416429063 /nfs/dbraw/zinc/42/90/63/1416429063.db2.gz FRMUIVODFVBGMN-CQSZACIVSA-N 2 0 380.895 3.353 10 0 GGAERP CC(C)[C@@H](C[NH2+]Cc1cc(Br)ccc1Cl)N1CC[NH+](C)CC1 ZINC000135859963 1417274041 /nfs/dbraw/zinc/27/40/41/1417274041.db2.gz HTPZXTCBXADWJY-QGZVFWFLSA-N 2 0 388.781 3.464 10 0 GGAERP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000136599633 1417331320 /nfs/dbraw/zinc/33/13/20/1417331320.db2.gz BWGVTWKVEKZQBU-LEWJYISDSA-N 2 0 382.508 3.126 10 0 GGAERP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CN(Cc2ccccc2)C1 ZINC000136901067 1417353443 /nfs/dbraw/zinc/35/34/43/1417353443.db2.gz HCWYBBIKUTZNJE-YNJKOYDBSA-N 2 0 393.575 3.253 10 0 GGAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000155896686 1423583605 /nfs/dbraw/zinc/58/36/05/1423583605.db2.gz ANBPFASSXPXMBC-GFCCVEGCSA-N 2 0 394.279 3.193 10 0 GGAERP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000156449484 1423811587 /nfs/dbraw/zinc/81/15/87/1423811587.db2.gz BMQYDYSGSYYWBL-UHFFFAOYSA-N 2 0 381.911 3.325 10 0 GGAERP C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000183735484 1430783701 /nfs/dbraw/zinc/78/37/01/1430783701.db2.gz CLHGYYFOPMPLQR-KRWDZBQOSA-N 2 0 383.492 3.434 10 0 GGAERP CC[NH+](CC)CCOc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000192697297 1432876609 /nfs/dbraw/zinc/87/66/09/1432876609.db2.gz AJHMKQYAHMFXDC-IHWFROFDSA-N 2 0 375.557 3.131 10 0 GGAERP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3Cc4ccccc4C[NH2+]3)cc2)CC1 ZINC000236721496 1433377110 /nfs/dbraw/zinc/37/71/10/1433377110.db2.gz GATKSIYVFCYABE-HSZRJFAPSA-N 2 0 377.532 3.249 10 0 GGAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000237169770 1433391464 /nfs/dbraw/zinc/39/14/64/1433391464.db2.gz CYRZAOWOPBLEDZ-UHFFFAOYSA-N 2 0 391.563 3.389 10 0 GGAERP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000237739279 1433420455 /nfs/dbraw/zinc/42/04/55/1433420455.db2.gz GZHBIIYGLBWPJD-MBSDFSHPSA-N 2 0 377.532 3.249 10 0 GGAERP Cc1ccc(N2CC[C@H]([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)C2=O)cc1 ZINC000237918121 1433434429 /nfs/dbraw/zinc/43/44/29/1433434429.db2.gz CYFBCGSZWQGRJV-QHCPKHFHSA-N 2 0 393.531 3.365 10 0 GGAERP O=C1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CN1c1ccccc1 ZINC000238130006 1433443883 /nfs/dbraw/zinc/44/38/83/1433443883.db2.gz GLPQUBMRGIAWGN-HXUWFJFHSA-N 2 0 379.504 3.056 10 0 GGAERP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245808897 1433520886 /nfs/dbraw/zinc/52/08/86/1433520886.db2.gz BXASEDOWLBMWTF-QRVBRYPASA-N 2 0 380.536 3.431 10 0 GGAERP COCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(O)cc1)Cc1ccccc1O2 ZINC000257192655 1433894746 /nfs/dbraw/zinc/89/47/46/1433894746.db2.gz QVQOSHXQYZOADL-UHFFFAOYSA-N 2 0 382.504 3.268 10 0 GGAERP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1OC ZINC000280795741 1435721998 /nfs/dbraw/zinc/72/19/98/1435721998.db2.gz GWEZKQDEQONEKZ-MSOLQXFVSA-N 2 0 389.584 3.344 10 0 GGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2ccc(C)cc2)CC1 ZINC000466904005 1126093971 /nfs/dbraw/zinc/09/39/71/1126093971.db2.gz CBEFWPGJILRXSX-HSZRJFAPSA-N 2 0 381.564 3.220 10 0 GGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000680121099 1126105616 /nfs/dbraw/zinc/10/56/16/1126105616.db2.gz QYMJUBHYXDSRSS-MOPGFXCFSA-N 2 0 390.409 3.200 10 0 GGAERP CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCC[NH+](C)C)Cc2cn(CC3CC3)c3cccc1c23 ZINC000049171540 291124687 /nfs/dbraw/zinc/12/46/87/291124687.db2.gz IWQQUJBUGWKEBC-SFTDATJTSA-N 2 0 396.579 3.331 10 0 GGAERP C[NH+](C)CCCOc1c(Br)cc(CC[NH3+])cc1Br ZINC000014594682 206262343 /nfs/dbraw/zinc/26/23/43/206262343.db2.gz DLVXRTCGFCRTMZ-UHFFFAOYSA-N 2 0 380.124 3.043 10 0 GGAERP O=C(C1CC[NH+](Cc2ccco2)CC1)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000014951657 207033500 /nfs/dbraw/zinc/03/35/00/207033500.db2.gz NOFUZLQHRIZOSM-QHCPKHFHSA-N 2 0 385.552 3.216 10 0 GGAERP O[C@@H](COc1ccccc1C[NH+]1CCCCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000015073022 207044367 /nfs/dbraw/zinc/04/43/67/207044367.db2.gz OXATVEAULSWRBR-HSZRJFAPSA-N 2 0 380.532 3.471 10 0 GGAERP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000095452459 208184301 /nfs/dbraw/zinc/18/43/01/208184301.db2.gz BXXRRMJKRKGQLS-UXHICEINSA-N 2 0 389.584 3.323 10 0 GGAERP C[NH+](C)CCN1CCC([NH2+]C2CCC(O)(c3cccc(Cl)c3)CC2)CC1 ZINC000096009152 208253148 /nfs/dbraw/zinc/25/31/48/208253148.db2.gz GLNAQPDDRQKMTH-UHFFFAOYSA-N 2 0 379.976 3.086 10 0 GGAERP OCC[C@@H]1CN(Cc2ccc(C[NH+]3CCCC3)s2)CC[N@@H+]1C1CCCC1 ZINC000019220110 527567589 /nfs/dbraw/zinc/56/75/89/527567589.db2.gz XODUWLIFNBHVAY-LJQANCHMSA-N 2 0 377.598 3.155 10 0 GGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128327315 564615125 /nfs/dbraw/zinc/61/51/25/564615125.db2.gz FNLUYUMSLWGYFA-OAHLLOKOSA-N 2 0 386.353 3.136 10 0 GGAERP Brc1ccc(-c2c[nH]c(C[NH2+]CCCC[NH+]3CCOCC3)n2)cc1 ZINC000112372009 565063614 /nfs/dbraw/zinc/06/36/14/565063614.db2.gz UXLQPNSWVPXMIT-UHFFFAOYSA-N 2 0 393.329 3.041 10 0 GGAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000295423114 565265686 /nfs/dbraw/zinc/26/56/86/565265686.db2.gz OBDGNOHEMCXEBT-SUMWQHHRSA-N 2 0 384.337 3.191 10 0 GGAERP Cc1[nH+]c2ccc(Br)cc2c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1C ZINC000301687358 565504189 /nfs/dbraw/zinc/50/41/89/565504189.db2.gz XHUVYFQNNIASBI-DLBZAZTESA-N 2 0 376.298 3.133 10 0 GGAERP Cc1[nH+]c2ccc(Br)cc2c(N2CC[N@H+](CCO)[C@H](C)C2)c1C ZINC000302443736 565542430 /nfs/dbraw/zinc/54/24/30/565542430.db2.gz QZKYJRQRSOJKGY-GFCCVEGCSA-N 2 0 378.314 3.117 10 0 GGAERP OC1(C[NH2+]Cc2ccc(Br)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000397628078 565576632 /nfs/dbraw/zinc/57/66/32/565576632.db2.gz YXWCPKAETLGIMX-UHFFFAOYSA-N 2 0 379.298 3.159 10 0 GGAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000192924330 565720032 /nfs/dbraw/zinc/72/00/32/565720032.db2.gz AWYUQOYMXQISOX-CQSZACIVSA-N 2 0 380.330 3.483 10 0 GGAERP Cc1ccc(Br)cc1NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192993495 565723150 /nfs/dbraw/zinc/72/31/50/565723150.db2.gz CXZMDZCVSGFHQS-MQVJKMGUSA-N 2 0 380.330 3.301 10 0 GGAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000281922457 565755708 /nfs/dbraw/zinc/75/57/08/565755708.db2.gz CWABOLZLBSWSMS-SFHVURJKSA-N 2 0 396.373 3.278 10 0 GGAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178069680 565894089 /nfs/dbraw/zinc/89/40/89/565894089.db2.gz UYHOARDOJHGWJM-AEFFLSMTSA-N 2 0 397.357 3.489 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000414103873 565895213 /nfs/dbraw/zinc/89/52/13/565895213.db2.gz DYTWRTXWYMLTNK-PMPSAXMXSA-N 2 0 396.373 3.242 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000414103867 565895875 /nfs/dbraw/zinc/89/58/75/565895875.db2.gz DYTWRTXWYMLTNK-OAGGEKHMSA-N 2 0 396.373 3.242 10 0 GGAERP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414205748 565903140 /nfs/dbraw/zinc/90/31/40/565903140.db2.gz XLKMRYRFZLEQDH-MRXNPFEDSA-N 2 0 386.005 3.109 10 0 GGAERP C[C@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000178689313 565933563 /nfs/dbraw/zinc/93/35/63/565933563.db2.gz ZUOMOQSRDBIZSV-CRAIPNDOSA-N 2 0 396.373 3.136 10 0 GGAERP C[C@@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000178689300 565934193 /nfs/dbraw/zinc/93/41/93/565934193.db2.gz ZUOMOQSRDBIZSV-MAUKXSAKSA-N 2 0 396.373 3.136 10 0 GGAERP CSCc1cnc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000414520924 565944960 /nfs/dbraw/zinc/94/49/60/565944960.db2.gz DQCJVUJNEMGEKF-UHFFFAOYSA-N 2 0 377.579 3.123 10 0 GGAERP C[C@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(Br)c1 ZINC000415046621 565970532 /nfs/dbraw/zinc/97/05/32/565970532.db2.gz CXRVPVOJRUDCTL-VNCLNFNDSA-N 2 0 380.374 3.359 10 0 GGAERP Fc1ccc(Br)c(F)c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415048208 565971449 /nfs/dbraw/zinc/97/14/49/565971449.db2.gz FWFSKRCHTARBFB-UHFFFAOYSA-N 2 0 388.300 3.033 10 0 GGAERP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058994 565971597 /nfs/dbraw/zinc/97/15/97/565971597.db2.gz UIKHXGISAODPSO-OOHWJJMZSA-N 2 0 398.364 3.325 10 0 GGAERP Clc1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)ccc1Br ZINC000415059666 565971998 /nfs/dbraw/zinc/97/19/98/565971998.db2.gz VHMZXQRKMHDGNX-UHFFFAOYSA-N 2 0 386.765 3.409 10 0 GGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000245731945 566003077 /nfs/dbraw/zinc/00/30/77/566003077.db2.gz JYKNAUJWKSNOOT-XJKSGUPXSA-N 2 0 383.330 3.382 10 0 GGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000246412964 566027963 /nfs/dbraw/zinc/02/79/63/566027963.db2.gz BICXPHPBYFEANY-CPUCHLNUSA-N 2 0 375.340 3.395 10 0 GGAERP C[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000180092604 566031817 /nfs/dbraw/zinc/03/18/17/566031817.db2.gz LIRQARRFRTWKIJ-DNVCBOLYSA-N 2 0 380.374 3.373 10 0 GGAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000247982075 566069753 /nfs/dbraw/zinc/06/97/53/566069753.db2.gz IKUXEZJGOJNGLQ-CXAGYDPISA-N 2 0 398.320 3.333 10 0 GGAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000248172053 566073621 /nfs/dbraw/zinc/07/36/21/566073621.db2.gz UYHOARDOJHGWJM-FUHWJXTLSA-N 2 0 397.357 3.489 10 0 GGAERP COc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(Br)c1O ZINC000261621735 566126903 /nfs/dbraw/zinc/12/69/03/566126903.db2.gz BZVBRVLVFASDJQ-CVEARBPZSA-N 2 0 391.309 3.338 10 0 GGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261702327 566131081 /nfs/dbraw/zinc/13/10/81/566131081.db2.gz IOFLMCLZTWJKTR-HBUWYVDXSA-N 2 0 382.346 3.002 10 0 GGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCc2ccccc2Br)CC1 ZINC000181831514 566167424 /nfs/dbraw/zinc/16/74/24/566167424.db2.gz SQNZOJZWAYRBPF-MRXNPFEDSA-N 2 0 383.374 3.406 10 0 GGAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418707462 566220506 /nfs/dbraw/zinc/22/05/06/566220506.db2.gz TWZCOIDBAFZBIB-KGLIPLIRSA-N 2 0 387.355 3.337 10 0 GGAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000418716207 566220510 /nfs/dbraw/zinc/22/05/10/566220510.db2.gz ZNBLVMRFTJXVBB-CHWSQXEVSA-N 2 0 375.344 3.192 10 0 GGAERP Cc1c([C@H](C)[NH2+]CCCC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000481961466 566269010 /nfs/dbraw/zinc/26/90/10/566269010.db2.gz NYFQJEFLVXJIAO-ZDUSSCGKSA-N 2 0 380.334 3.331 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000420381829 566276363 /nfs/dbraw/zinc/27/63/63/566276363.db2.gz CTFLKXBYRMIMSL-RHSMWYFYSA-N 2 0 380.330 3.242 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420395583 566277099 /nfs/dbraw/zinc/27/70/99/566277099.db2.gz LKCNFCKQLQWJPT-CXAGYDPISA-N 2 0 398.320 3.381 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000556237118 566278347 /nfs/dbraw/zinc/27/83/47/566278347.db2.gz SMKQTVPGAMQIQV-MRXNPFEDSA-N 2 0 392.341 3.111 10 0 GGAERP C[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(C)(=O)=O ZINC000575848803 566292608 /nfs/dbraw/zinc/29/26/08/566292608.db2.gz RXKGAIFFHYLOAK-YQCLPMHJSA-N 2 0 384.973 3.277 10 0 GGAERP O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000625258847 566299817 /nfs/dbraw/zinc/29/98/17/566299817.db2.gz AJVPNWXCALAVQW-QGZVFWFLSA-N 2 0 389.297 3.305 10 0 GGAERP Brc1cc2c(cc1C[N@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)OCCCO2 ZINC000576875000 566386564 /nfs/dbraw/zinc/38/65/64/566386564.db2.gz GUJVEMHACRWJTN-OKILXGFUSA-N 2 0 381.314 3.042 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627085799 566464027 /nfs/dbraw/zinc/46/40/27/566464027.db2.gz WLVZJRPELKNMRI-WMZOPIPTSA-N 2 0 387.355 3.285 10 0 GGAERP C[C@@H](CCCC[NH3+])NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627093262 566464672 /nfs/dbraw/zinc/46/46/72/566464672.db2.gz LBWPDKFODKXZBV-LRDDRELGSA-N 2 0 375.344 3.413 10 0 GGAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422877398 566465141 /nfs/dbraw/zinc/46/51/41/566465141.db2.gz RINHGHVXOCMFSC-KYOSRNDESA-N 2 0 376.854 3.310 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000627101252 566465089 /nfs/dbraw/zinc/46/50/89/566465089.db2.gz UDPYMKYKBHLXHA-RHSMWYFYSA-N 2 0 387.355 3.428 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)NCCC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000627090461 566465306 /nfs/dbraw/zinc/46/53/06/566465306.db2.gz VFHRYEURTSSVGX-KRWDZBQOSA-N 2 0 385.339 3.205 10 0 GGAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000422921306 566465853 /nfs/dbraw/zinc/46/58/53/566465853.db2.gz PNGLKEGJWOFYDA-FZMZJTMJSA-N 2 0 387.307 3.338 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000627119248 566466152 /nfs/dbraw/zinc/46/61/52/566466152.db2.gz LKDWBTOZADQYFD-HOTGVXAUSA-N 2 0 385.339 3.037 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000627119249 566466762 /nfs/dbraw/zinc/46/67/62/566466762.db2.gz LKDWBTOZADQYFD-HZPDHXFCSA-N 2 0 385.339 3.037 10 0 GGAERP COc1cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc(Br)c1OC ZINC000422935346 566466922 /nfs/dbraw/zinc/46/69/22/566466922.db2.gz ADLSOMVRHQLGRK-LLVKDONJSA-N 2 0 394.313 3.479 10 0 GGAERP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423025472 566469450 /nfs/dbraw/zinc/46/94/50/566469450.db2.gz OJTOXHPNRNXKEE-GWCFXTLKSA-N 2 0 381.236 3.325 10 0 GGAERP Cc1cc(Br)cn2cc(CN[C@@H](C)c3ccc(C[NH3+])nc3C)nc12 ZINC000423031779 566469560 /nfs/dbraw/zinc/46/95/60/566469560.db2.gz DOFKYEBHXNCGTF-LBPRGKRZSA-N 2 0 388.313 3.418 10 0 GGAERP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650714243 566471933 /nfs/dbraw/zinc/47/19/33/566471933.db2.gz WXERWBFIMUYFKA-UHFFFAOYSA-N 2 0 394.357 3.081 10 0 GGAERP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707267 566472093 /nfs/dbraw/zinc/47/20/93/566472093.db2.gz BXOJEPJTXTVDSR-QANKJYHBSA-N 2 0 383.330 3.176 10 0 GGAERP CN(CC(C)(C)C[NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627220741 566472849 /nfs/dbraw/zinc/47/28/49/566472849.db2.gz XKTYVRNDVATWDK-OAHLLOKOSA-N 2 0 375.344 3.222 10 0 GGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc3c(cc2Br)OCO3)C1 ZINC000650722100 566473517 /nfs/dbraw/zinc/47/35/17/566473517.db2.gz KSDXIHYFBPCVSE-KBMXLJTQSA-N 2 0 397.313 3.039 10 0 GGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423076580 566473577 /nfs/dbraw/zinc/47/35/77/566473577.db2.gz ZHXMYHMGYLHNQQ-RTBURBONSA-N 2 0 392.341 3.471 10 0 GGAERP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000650722564 566473648 /nfs/dbraw/zinc/47/36/48/566473648.db2.gz WOFOVEVWFAENRA-QGPMSJSTSA-N 2 0 383.330 3.319 10 0 GGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423076578 566473858 /nfs/dbraw/zinc/47/38/58/566473858.db2.gz ZHXMYHMGYLHNQQ-OALUTQOASA-N 2 0 392.341 3.471 10 0 GGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000423069749 566473906 /nfs/dbraw/zinc/47/39/06/566473906.db2.gz BSXBAALMYJRGAB-HIFRSBDPSA-N 2 0 392.341 3.113 10 0 GGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc3c(cc2Br)OCO3)C1 ZINC000650722099 566473907 /nfs/dbraw/zinc/47/39/07/566473907.db2.gz KSDXIHYFBPCVSE-FVQBIDKESA-N 2 0 397.313 3.039 10 0 GGAERP COc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723688 566474580 /nfs/dbraw/zinc/47/45/80/566474580.db2.gz RZQCJVNRDADUCA-BMGDILEWSA-N 2 0 383.330 3.319 10 0 GGAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000627239077 566474999 /nfs/dbraw/zinc/47/49/99/566474999.db2.gz YOOYLXFFCJPENM-SUMWQHHRSA-N 2 0 387.355 3.207 10 0 GGAERP COc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc(Br)c1O ZINC000558493704 566480157 /nfs/dbraw/zinc/48/01/57/566480157.db2.gz TYHTYXAZNAJXTM-UHFFFAOYSA-N 2 0 389.359 3.080 10 0 GGAERP Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCN1CC[NH2+]CC1 ZINC000423177454 566481047 /nfs/dbraw/zinc/48/10/47/566481047.db2.gz DZJDVQJLLLJMAH-GOSISDBHSA-N 2 0 391.357 3.193 10 0 GGAERP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423165841 566481067 /nfs/dbraw/zinc/48/10/67/566481067.db2.gz BJSVVUDLACDDKG-GFCCVEGCSA-N 2 0 381.929 3.147 10 0 GGAERP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1Br ZINC000423522289 566492489 /nfs/dbraw/zinc/49/24/89/566492489.db2.gz UNZNHZNASBMUEM-IUDNXUCKSA-N 2 0 384.337 3.455 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423525926 566492507 /nfs/dbraw/zinc/49/25/07/566492507.db2.gz YVBHMKFJIAFVFU-RHSMWYFYSA-N 2 0 378.314 3.069 10 0 GGAERP Brc1cccc2c1CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423526926 566493046 /nfs/dbraw/zinc/49/30/46/566493046.db2.gz ZZYHTXWRXNMIKE-JFIBYHEFSA-N 2 0 378.358 3.242 10 0 GGAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000578232318 566503336 /nfs/dbraw/zinc/50/33/36/566503336.db2.gz OSUXXJRPNQBBEE-INIZCTEOSA-N 2 0 375.340 3.445 10 0 GGAERP CC(C)C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)NCC[NH+](C)C ZINC000538546093 566520067 /nfs/dbraw/zinc/52/00/67/566520067.db2.gz NKVWBKGEXCUZHJ-YOEHRIQHSA-N 2 0 384.362 3.192 10 0 GGAERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(Br)s1)C(=O)NCC[NH+](C)C ZINC000538548525 566520590 /nfs/dbraw/zinc/52/05/90/566520590.db2.gz OTEINSJENXVFHX-STQMWFEESA-N 2 0 390.391 3.254 10 0 GGAERP CC(C)[C@H](C[NH2+][C@H]1CCc2c1ccc(F)c2Br)N1CC[NH+](C)CC1 ZINC000449073385 566527446 /nfs/dbraw/zinc/52/74/46/566527446.db2.gz IQPIUXPOBTUKMP-ROUUACIJSA-N 2 0 398.364 3.437 10 0 GGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449080800 566527519 /nfs/dbraw/zinc/52/75/19/566527519.db2.gz ZHVLPMSYFLCOIU-SUMWQHHRSA-N 2 0 384.337 3.191 10 0 GGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449080799 566528027 /nfs/dbraw/zinc/52/80/27/566528027.db2.gz ZHVLPMSYFLCOIU-GUYCJALGSA-N 2 0 384.337 3.191 10 0 GGAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1(C)C ZINC000449306301 566545779 /nfs/dbraw/zinc/54/57/79/566545779.db2.gz VVJZKQPYHATWIW-MRXNPFEDSA-N 2 0 384.337 3.191 10 0 GGAERP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1(C)C ZINC000449306300 566546198 /nfs/dbraw/zinc/54/61/98/566546198.db2.gz VVJZKQPYHATWIW-INIZCTEOSA-N 2 0 384.337 3.191 10 0 GGAERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000579344169 566600806 /nfs/dbraw/zinc/60/08/06/566600806.db2.gz VEOGPUQFUDINDK-CABCVRRESA-N 2 0 375.340 3.301 10 0 GGAERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000579344173 566601529 /nfs/dbraw/zinc/60/15/29/566601529.db2.gz VEOGPUQFUDINDK-HUUCEWRRSA-N 2 0 375.340 3.301 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000628969842 566602630 /nfs/dbraw/zinc/60/26/30/566602630.db2.gz ZNEPRKYFVZPFQN-CJNGLKHVSA-N 2 0 390.380 3.150 10 0 GGAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc(Br)c1OC ZINC000513708561 566619800 /nfs/dbraw/zinc/61/98/00/566619800.db2.gz TZJUHBAEWKMBNP-BMFZPTHFSA-N 2 0 383.330 3.429 10 0 GGAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Br)cc1Br ZINC000629541703 566664320 /nfs/dbraw/zinc/66/43/20/566664320.db2.gz UIJAMIZWONFPJO-SNVBAGLBSA-N 2 0 380.124 3.228 10 0 GGAERP COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629558178 566665704 /nfs/dbraw/zinc/66/57/04/566665704.db2.gz CJVOWLHEWQRJNM-GOEBONIOSA-N 2 0 381.314 3.116 10 0 GGAERP COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629558176 566666253 /nfs/dbraw/zinc/66/62/53/566666253.db2.gz CJVOWLHEWQRJNM-GDBMZVCRSA-N 2 0 381.314 3.116 10 0 GGAERP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000629581682 566667532 /nfs/dbraw/zinc/66/75/32/566667532.db2.gz FVHQVFWJBQBYPM-DGCLKSJQSA-N 2 0 379.302 3.404 10 0 GGAERP C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000629581683 566667775 /nfs/dbraw/zinc/66/77/75/566667775.db2.gz FVHQVFWJBQBYPM-WCQYABFASA-N 2 0 379.302 3.404 10 0 GGAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(Br)cc(C)c1OC(F)F ZINC000629652677 566675715 /nfs/dbraw/zinc/67/57/15/566675715.db2.gz CCLMZZXIZAWNDU-UHFFFAOYSA-N 2 0 381.261 3.027 10 0 GGAERP CO[C@H](CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C(F)(F)F ZINC000468616307 566716166 /nfs/dbraw/zinc/71/61/66/566716166.db2.gz XTYUPWMAWPHZTO-MRXNPFEDSA-N 2 0 379.854 3.149 10 0 GGAERP C[N@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801479 566764304 /nfs/dbraw/zinc/76/43/04/566764304.db2.gz SKWKLLVTMSILCB-MRXNPFEDSA-N 2 0 384.337 3.189 10 0 GGAERP C[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)C1CC[NH+](C)CC1 ZINC000678596466 566807387 /nfs/dbraw/zinc/80/73/87/566807387.db2.gz VJGLENMBJUWPTR-GFCCVEGCSA-N 2 0 378.318 3.054 10 0 GGAERP CC(C)C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc21)C(=O)NCC[NH+](C)C ZINC000679087443 566835438 /nfs/dbraw/zinc/83/54/38/566835438.db2.gz UBULHRBWOCMOLE-ROUUACIJSA-N 2 0 396.373 3.119 10 0 GGAERP CC(C)C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc21)C(=O)NCC[NH+](C)C ZINC000679087441 566835540 /nfs/dbraw/zinc/83/55/40/566835540.db2.gz UBULHRBWOCMOLE-MSOLQXFVSA-N 2 0 396.373 3.119 10 0 GGAERP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000680635220 566923623 /nfs/dbraw/zinc/92/36/23/566923623.db2.gz KFXCJRUNDIRCMF-QGZVFWFLSA-N 2 0 394.357 3.046 10 0 GGAERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000583747928 566979312 /nfs/dbraw/zinc/97/93/12/566979312.db2.gz KCWYHKYWDZPASU-BCLQGDPASA-N 2 0 375.340 3.443 10 0 GGAERP Brc1ccc(N2CC[C@@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000657351326 567048999 /nfs/dbraw/zinc/04/89/99/567048999.db2.gz CJVCWBOCMJYFOX-MRXNPFEDSA-N 2 0 398.308 3.398 10 0 GGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(I)c2)C1 ZINC000453057904 567051467 /nfs/dbraw/zinc/05/14/67/567051467.db2.gz FZPIWMSRVFLZTL-NEPJUHHUSA-N 2 0 376.257 3.423 10 0 GGAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000453089461 567053408 /nfs/dbraw/zinc/05/34/08/567053408.db2.gz BBPFIPZJLJKTMV-KRWDZBQOSA-N 2 0 384.337 3.193 10 0 GGAERP Fc1cncc(Br)c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000657425169 567057097 /nfs/dbraw/zinc/05/70/97/567057097.db2.gz DQFGQLVUTVIIRX-UHFFFAOYSA-N 2 0 379.277 3.384 10 0 GGAERP Brc1cccc(N2CC[C@@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000657451207 567058837 /nfs/dbraw/zinc/05/88/37/567058837.db2.gz KBXHUQCFAIJKFL-MRXNPFEDSA-N 2 0 398.308 3.398 10 0 GGAERP Oc1ccc(Br)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657534552 567066743 /nfs/dbraw/zinc/06/67/43/567066743.db2.gz AZSPJMNEIFMCBG-UHFFFAOYSA-N 2 0 383.330 3.135 10 0 GGAERP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cnc3c(C)cc(Br)cn23)C1 ZINC000657577075 567073284 /nfs/dbraw/zinc/07/32/84/567073284.db2.gz OKXCFHTUWLRGGA-IAOVAPTHSA-N 2 0 396.329 3.061 10 0 GGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)c(F)c3)cc2)C1 ZINC000657594595 567074473 /nfs/dbraw/zinc/07/44/73/567074473.db2.gz CAEUHIXVUKBQQG-KRWDZBQOSA-N 2 0 393.300 3.445 10 0 GGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(Br)c3F)cc2)C1 ZINC000657596457 567074771 /nfs/dbraw/zinc/07/47/71/567074771.db2.gz NHQURHJYFDLQAD-QGZVFWFLSA-N 2 0 393.300 3.445 10 0 GGAERP Fc1cncc(Br)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613979 567077337 /nfs/dbraw/zinc/07/73/37/567077337.db2.gz ZTEHODLGOWWUGF-UHFFFAOYSA-N 2 0 393.304 3.380 10 0 GGAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)[C@@H]1SC ZINC000592376659 567334131 /nfs/dbraw/zinc/33/41/31/567334131.db2.gz CYSBJHABRGJXPN-QRQLOZEOSA-N 2 0 383.989 3.090 10 0 GGAERP CN(C)Cc1ccc(NC(=O)[C@](C)([NH3+])c2ccccc2)cc1Br ZINC000569004626 567372553 /nfs/dbraw/zinc/37/25/53/567372553.db2.gz IJTNORQWTPZOHG-GOSISDBHSA-N 2 0 376.298 3.323 10 0 GGAERP [NH3+]CC1(CC[NH2+][C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000593320995 567407613 /nfs/dbraw/zinc/40/76/13/567407613.db2.gz WEDRKHFGTWTJPG-CQSZACIVSA-N 2 0 386.277 3.224 10 0 GGAERP [NH3+]CC1(CC[NH2+][C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000593320993 567407882 /nfs/dbraw/zinc/40/78/82/567407882.db2.gz WEDRKHFGTWTJPG-AWEZNQCLSA-N 2 0 386.277 3.224 10 0 GGAERP O[C@H]1CC[N@@H+](C2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)C1 ZINC000662159409 567414660 /nfs/dbraw/zinc/41/46/60/567414660.db2.gz ZUFTUGJKPURYOO-UJXFUWLCSA-N 2 0 379.342 3.383 10 0 GGAERP O[C@@H]1CC[N@@H+](C2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)C1 ZINC000662159410 567414857 /nfs/dbraw/zinc/41/48/57/567414857.db2.gz ZUFTUGJKPURYOO-VUQTYRPGSA-N 2 0 379.342 3.383 10 0 GGAERP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000662258904 567421803 /nfs/dbraw/zinc/42/18/03/567421803.db2.gz XXIYKWCYTAVHLB-DZGCQCFKSA-N 2 0 383.355 3.439 10 0 GGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ncc(Br)cc2Cl)C1 ZINC000662285009 567423830 /nfs/dbraw/zinc/42/38/30/567423830.db2.gz TZQFMURESZRBLI-WQVCFCJDSA-N 2 0 388.737 3.358 10 0 GGAERP Brc1cccc(C[C@H]2CCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662282066 567424017 /nfs/dbraw/zinc/42/40/17/567424017.db2.gz CQJRHOIGLNQJJG-QZTJIDSGSA-N 2 0 379.342 3.367 10 0 GGAERP Brc1cccc(C[C@H]2CCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662282065 567424627 /nfs/dbraw/zinc/42/46/27/567424627.db2.gz CQJRHOIGLNQJJG-MSOLQXFVSA-N 2 0 379.342 3.367 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1 ZINC000662292279 567425286 /nfs/dbraw/zinc/42/52/86/567425286.db2.gz CYNDXKAYYJHTMU-INIZCTEOSA-N 2 0 394.357 3.489 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Br ZINC000662295879 567425801 /nfs/dbraw/zinc/42/58/01/567425801.db2.gz INRAZBHEZNAGDD-MRXNPFEDSA-N 2 0 394.357 3.489 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1cccc(Br)c1 ZINC000662294541 567425864 /nfs/dbraw/zinc/42/58/64/567425864.db2.gz QRPAZWWRUJDVRK-INIZCTEOSA-N 2 0 394.357 3.489 10 0 GGAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000569752512 567430069 /nfs/dbraw/zinc/43/00/69/567430069.db2.gz DLYXRLUKYIPZDC-CQSZACIVSA-N 2 0 382.961 3.371 10 0 GGAERP CC(C)OC[C@H]([NH3+])C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000662410254 567434816 /nfs/dbraw/zinc/43/48/16/567434816.db2.gz XJEIARYVUZTFPT-KRWDZBQOSA-N 2 0 390.355 3.026 10 0 GGAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1sc2c(c1Br)CNC2 ZINC000662745241 567461043 /nfs/dbraw/zinc/46/10/43/567461043.db2.gz KORQPMYUMOEFCR-NSHDSACASA-N 2 0 386.359 3.060 10 0 GGAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sc3c(c2Br)CNC3)C[C@@H]1C ZINC000662743909 567461130 /nfs/dbraw/zinc/46/11/30/567461130.db2.gz WZXTUZKPQNZWEZ-WDEREUQCSA-N 2 0 386.359 3.059 10 0 GGAERP Cn1ccnc1[C@@H]1N(C(=O)c2sc3c(c2Br)CNC3)CC1(C)C ZINC000662756212 567461291 /nfs/dbraw/zinc/46/12/91/567461291.db2.gz IFTULNSGSHSDBB-ZDUSSCGKSA-N 2 0 395.326 3.071 10 0 GGAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000550887798 567467887 /nfs/dbraw/zinc/46/78/87/567467887.db2.gz UCJNCECZECATLO-BBWFWOEESA-N 2 0 398.389 3.347 10 0 GGAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000550886714 567468198 /nfs/dbraw/zinc/46/81/98/567468198.db2.gz RUZOVIVGBDTXRG-INIZCTEOSA-N 2 0 384.362 3.101 10 0 GGAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000550887801 567468203 /nfs/dbraw/zinc/46/82/03/567468203.db2.gz UCJNCECZECATLO-ZACQAIPSSA-N 2 0 398.389 3.347 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000551268062 567492137 /nfs/dbraw/zinc/49/21/37/567492137.db2.gz YINRDYUHQYJDRZ-OAHLLOKOSA-N 2 0 384.362 3.244 10 0 GGAERP O=C(CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccccc1Br ZINC000570683166 567505639 /nfs/dbraw/zinc/50/56/39/567505639.db2.gz BOOMQEZBWSWCOT-OAHLLOKOSA-N 2 0 390.281 3.326 10 0 GGAERP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000529380767 567511015 /nfs/dbraw/zinc/51/10/15/567511015.db2.gz ARGUOEWKEADTFD-GUYCJALGSA-N 2 0 387.355 3.237 10 0 GGAERP CC[C@@H]1CN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000529380777 567511327 /nfs/dbraw/zinc/51/13/27/567511327.db2.gz AXQRPQGVTBDGDJ-CSMYWGQOSA-N 2 0 387.355 3.365 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(Cl)c1 ZINC000529387952 567511472 /nfs/dbraw/zinc/51/14/72/567511472.db2.gz QWFFPQKMRQUQGK-VBQJREDUSA-N 2 0 385.339 3.132 10 0 GGAERP C[C@H]([NH3+])C1CCN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000529385384 567511488 /nfs/dbraw/zinc/51/14/88/567511488.db2.gz KNKSLQMCAVHWOJ-YVEFUNNKSA-N 2 0 387.355 3.365 10 0 GGAERP C[C@H]([NH3+])C1CCN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000529385380 567511523 /nfs/dbraw/zinc/51/15/23/567511523.db2.gz KNKSLQMCAVHWOJ-SJCJKPOMSA-N 2 0 387.355 3.365 10 0 GGAERP C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000529385378 567511757 /nfs/dbraw/zinc/51/17/57/567511757.db2.gz KNKSLQMCAVHWOJ-PXAZEXFGSA-N 2 0 387.355 3.365 10 0 GGAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000529388654 567511900 /nfs/dbraw/zinc/51/19/00/567511900.db2.gz SODCISDACCZEJH-QEORTHHSSA-N 2 0 387.355 3.365 10 0 GGAERP C[NH2+]C[C@H]1CCCN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000529380765 567511951 /nfs/dbraw/zinc/51/19/51/567511951.db2.gz ARGUOEWKEADTFD-CXAGYDPISA-N 2 0 387.355 3.237 10 0 GGAERP Ic1ccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000595096133 567542415 /nfs/dbraw/zinc/54/24/15/567542415.db2.gz WHLRKINMBOLIKK-UHFFFAOYSA-N 2 0 384.305 3.298 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000552057004 567553310 /nfs/dbraw/zinc/55/33/10/567553310.db2.gz AKJSEXHJNZKUCH-BVBHFADKSA-N 2 0 381.358 3.063 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H]2CCC[C@H]21 ZINC000552248895 567570300 /nfs/dbraw/zinc/57/03/00/567570300.db2.gz WMUJALDOXQLXRG-OQIJWPOYSA-N 2 0 378.358 3.490 10 0 GGAERP O[C@@H]1CC[N@@H+](C2CCN(c3ccnc4ccc(Br)cc43)CC2)C1 ZINC000664599811 567577182 /nfs/dbraw/zinc/57/71/82/567577182.db2.gz BHUPJZFFMRFQIY-OAHLLOKOSA-N 2 0 376.298 3.033 10 0 GGAERP O[C@@H]1CC[N@@H+](C2CCN(c3ccnc4cc(Br)ccc43)CC2)C1 ZINC000664599987 567577365 /nfs/dbraw/zinc/57/73/65/567577365.db2.gz QFHGTYZEDPKOII-OAHLLOKOSA-N 2 0 376.298 3.033 10 0 GGAERP O[C@H]1CC[N@@H+](C2CCN(c3ccnc4cc(Br)ccc43)CC2)C1 ZINC000664599986 567577614 /nfs/dbraw/zinc/57/76/14/567577614.db2.gz QFHGTYZEDPKOII-HNNXBMFYSA-N 2 0 376.298 3.033 10 0 GGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc(Br)cn1 ZINC000552340006 567580803 /nfs/dbraw/zinc/58/08/03/567580803.db2.gz ITCMHOSIQCEJMP-YJBOKZPZSA-N 2 0 377.330 3.146 10 0 GGAERP COc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530248107 567588046 /nfs/dbraw/zinc/58/80/46/567588046.db2.gz GAMMEJBOBNTXLI-MRXNPFEDSA-N 2 0 383.330 3.048 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000665285251 567615353 /nfs/dbraw/zinc/61/53/53/567615353.db2.gz HRCQCKLKLKMBOG-AWEZNQCLSA-N 2 0 382.346 3.090 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000665287197 567615893 /nfs/dbraw/zinc/61/58/93/567615893.db2.gz FALSDCAABPKGDG-GOSISDBHSA-N 2 0 394.357 3.017 10 0 GGAERP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cccc(Br)c1 ZINC000665285069 567615989 /nfs/dbraw/zinc/61/59/89/567615989.db2.gz BTZIIIFZOKRPTQ-SFHVURJKSA-N 2 0 396.373 3.480 10 0 GGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)[C@H](C)C1 ZINC000440701203 567641092 /nfs/dbraw/zinc/64/10/92/567641092.db2.gz IKVKTLNUSODBHI-RHSMWYFYSA-N 2 0 382.346 3.440 10 0 GGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc(I)cc1 ZINC000596651976 567646656 /nfs/dbraw/zinc/64/66/56/567646656.db2.gz DQFWMEJOXCEDGV-GFCCVEGCSA-N 2 0 395.288 3.347 10 0 GGAERP Clc1ccc(I)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000596651941 567646905 /nfs/dbraw/zinc/64/69/05/567646905.db2.gz SHZROLKTQZDUOB-COPLHBTASA-N 2 0 390.696 3.422 10 0 GGAERP C[N@@H+]1CC[C@H](NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1(C)C ZINC000623351284 567703265 /nfs/dbraw/zinc/70/32/65/567703265.db2.gz KLQFTCGDWWFRKJ-NSHDSACASA-N 2 0 375.826 3.364 10 0 GGAERP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1(C)C ZINC000442880319 567713511 /nfs/dbraw/zinc/71/35/11/567713511.db2.gz YGVLYCXSXHKBCH-KRWDZBQOSA-N 2 0 396.373 3.278 10 0 GGAERP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952082 567713775 /nfs/dbraw/zinc/71/37/75/567713775.db2.gz FJZKFWHPXZPPPO-KRWDZBQOSA-N 2 0 383.330 3.096 10 0 GGAERP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)nc12 ZINC000623491183 567714645 /nfs/dbraw/zinc/71/46/45/567714645.db2.gz IKLNNPNDIBPDRD-HNNXBMFYSA-N 2 0 379.346 3.410 10 0 GGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541804 567720285 /nfs/dbraw/zinc/72/02/85/567720285.db2.gz YQKDOESWHFJELP-XJKSGUPXSA-N 2 0 387.337 3.202 10 0 GGAERP CN(C)c1cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ncc1Br ZINC000667203463 567734457 /nfs/dbraw/zinc/73/44/57/567734457.db2.gz OVSSNLFWAKQMIM-GFCCVEGCSA-N 2 0 398.349 3.152 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(I)cc2)CC1(C)C ZINC000598980829 567801650 /nfs/dbraw/zinc/80/16/50/567801650.db2.gz YFSRLRWFIXHXEI-AWEZNQCLSA-N 2 0 388.293 3.132 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1F ZINC000647902023 567805613 /nfs/dbraw/zinc/80/56/13/567805613.db2.gz YUGZVIJDBMKWKX-BBRMVZONSA-N 2 0 398.320 3.381 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1F ZINC000647902026 567806106 /nfs/dbraw/zinc/80/61/06/567806106.db2.gz YUGZVIJDBMKWKX-XJKSGUPXSA-N 2 0 398.320 3.381 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc(Br)c1 ZINC000647902907 567806206 /nfs/dbraw/zinc/80/62/06/567806206.db2.gz DJUGEOYUEUBYDV-WMLDXEAASA-N 2 0 380.330 3.242 10 0 GGAERP Cc1nc(C(=O)NCCC2CC[NH+](C(C)C)CC2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257319 570755948 /nfs/dbraw/zinc/75/59/48/570755948.db2.gz CKTMQKKYLHBAHG-UHFFFAOYSA-N 2 0 389.588 3.007 10 0 GGAERP COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccc(F)cc1Cl ZINC000013733088 570783579 /nfs/dbraw/zinc/78/35/79/570783579.db2.gz PURBWRDSXOKIGA-UHFFFAOYSA-N 2 0 396.890 3.128 10 0 GGAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033128972 570817941 /nfs/dbraw/zinc/81/79/41/570817941.db2.gz PJLIDUBDOBUTCT-UHFFFAOYSA-N 2 0 378.520 3.079 10 0 GGAERP CC(C)[C@H](C[NH2+]Cc1ccc(Cl)cc1Br)N1CC[NH+](C)CC1 ZINC000126407022 1415442292 /nfs/dbraw/zinc/44/22/92/1415442292.db2.gz DVSCDLZRTQJXPN-KRWDZBQOSA-N 2 0 388.781 3.464 10 0 GGAERP C[C@H](/C=C/C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020028391 1399340515 /nfs/dbraw/zinc/34/05/15/1399340515.db2.gz PCETXSPWNPALJW-SIFUEBAJSA-N 3 0 392.632 3.255 10 0 GGAERP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cnn(-c4ccccc4)c3)cc2)CC1 ZINC000061070199 1408073901 /nfs/dbraw/zinc/07/39/01/1408073901.db2.gz AFVZRCYPGFERBH-UHFFFAOYSA-N 2 0 389.547 3.300 10 0 GGAERP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3c(C)nn(C)c3Cl)CC2)cc1 ZINC000063319588 1408335967 /nfs/dbraw/zinc/33/59/67/1408335967.db2.gz DEKYNDLHOAIFQK-UHFFFAOYSA-N 2 0 376.932 3.392 10 0 GGAERP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000066876879 1408939663 /nfs/dbraw/zinc/93/96/63/1408939663.db2.gz CNGQGLQUDSIXNH-UHFFFAOYSA-N 2 0 396.926 3.167 10 0 GGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000067120847 1409013356 /nfs/dbraw/zinc/01/33/56/1409013356.db2.gz DVTYRSDOXYPNAP-GOSISDBHSA-N 2 0 381.520 3.215 10 0 GGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(OCC(N)=O)cc2)cc1 ZINC000067120759 1409013368 /nfs/dbraw/zinc/01/33/68/1409013368.db2.gz HLJWWXUGGCPELQ-GOSISDBHSA-N 2 0 381.520 3.215 10 0 GGAERP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc4c3OCCCO4)cc2)CC1 ZINC000069708685 1409679238 /nfs/dbraw/zinc/67/92/38/1409679238.db2.gz FOFNBSCHHLJEMB-UHFFFAOYSA-N 2 0 395.547 3.275 10 0 GGAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000093947858 1410289534 /nfs/dbraw/zinc/28/95/34/1410289534.db2.gz DKGVTFVPMRUSEO-UHFFFAOYSA-N 2 0 383.584 3.145 10 0 GGAERP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)cc(Br)c1OC(F)F ZINC000105458935 1411067988 /nfs/dbraw/zinc/06/79/88/1411067988.db2.gz IAYSCVMYJPVAFJ-UHFFFAOYSA-N 2 0 393.272 3.491 10 0 GGAERP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105463025 1411069004 /nfs/dbraw/zinc/06/90/04/1411069004.db2.gz ANYIDSCIKXCFMY-INIZCTEOSA-N 2 0 385.483 3.200 10 0 GGAERP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000105495526 1411071810 /nfs/dbraw/zinc/07/18/10/1411071810.db2.gz AONFFOVISBOXAH-UHFFFAOYSA-N 2 0 376.504 3.119 10 0 GGAERP CC(C)[C@H](C[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1)N1CC[NH+](C)CC1 ZINC000116334194 1412850821 /nfs/dbraw/zinc/85/08/21/1412850821.db2.gz HKMGJSKLGFCXGS-IBGZPJMESA-N 2 0 389.975 3.102 10 0 GGAERP Cc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1Br ZINC000119281381 1413398398 /nfs/dbraw/zinc/39/83/98/1413398398.db2.gz BIHGDKRWZQDTBW-UHFFFAOYSA-N 2 0 389.341 3.194 10 0 GGAERP Cc1nccn1-c1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000121178108 1414034546 /nfs/dbraw/zinc/03/45/46/1414034546.db2.gz GMNRPTFUSHCNPD-UHFFFAOYSA-N 2 0 391.519 3.340 10 0 GGAERP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)CC2 ZINC000121301119 1414077289 /nfs/dbraw/zinc/07/72/89/1414077289.db2.gz CIYQZMGYUSMKOU-JOCHJYFZSA-N 2 0 380.532 3.299 10 0 GGAERP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000124793109 1415044778 /nfs/dbraw/zinc/04/47/78/1415044778.db2.gz BAUYAWPUDYZHDL-WZGPROSRSA-N 2 0 397.485 3.476 10 0 GGAERP Cc1ccc(-c2ncc(C[NH2+]Cc3cccc(C(=O)NCC[NH+](C)C)c3)s2)o1 ZINC000126792891 1415560937 /nfs/dbraw/zinc/56/09/37/1415560937.db2.gz CSELBCDVSRDYDS-UHFFFAOYSA-N 2 0 398.532 3.293 10 0 GGAERP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000128285202 1415954828 /nfs/dbraw/zinc/95/48/28/1415954828.db2.gz STNUIPXGIPHKOI-OAHLLOKOSA-N 2 0 397.445 3.307 10 0 GGAERP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(N4CCCC4)nc3)cc2)CC1 ZINC000131195581 1416522203 /nfs/dbraw/zinc/52/22/03/1416522203.db2.gz HTYLGYKTIMNPFM-UHFFFAOYSA-N 2 0 393.579 3.109 10 0 GGAERP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000136592050 1417330724 /nfs/dbraw/zinc/33/07/24/1417330724.db2.gz HYZDGEDBUMTMAM-RTBURBONSA-N 2 0 386.458 3.485 10 0 GGAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc3cccnc32)c1 ZINC000157577027 1424042195 /nfs/dbraw/zinc/04/21/95/1424042195.db2.gz CAINTNSWFLMDAS-UHFFFAOYSA-N 2 0 396.922 3.469 10 0 GGAERP CCOc1cc2c(cc1C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)O[C@H](C)C2 ZINC000173951973 1426906904 /nfs/dbraw/zinc/90/69/04/1426906904.db2.gz OKQDAIJQFGWHTF-GOSISDBHSA-N 2 0 388.552 3.486 10 0 GGAERP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174240390 1427065059 /nfs/dbraw/zinc/06/50/59/1427065059.db2.gz CQQYGEBZJBDZSY-PMACEKPBSA-N 2 0 399.579 3.320 10 0 GGAERP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174240374 1427065076 /nfs/dbraw/zinc/06/50/76/1427065076.db2.gz CQQYGEBZJBDZSY-UXHICEINSA-N 2 0 399.579 3.320 10 0 GGAERP C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000183735501 1430783829 /nfs/dbraw/zinc/78/38/29/1430783829.db2.gz CLHGYYFOPMPLQR-QGZVFWFLSA-N 2 0 383.492 3.434 10 0 GGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000236953826 1433384045 /nfs/dbraw/zinc/38/40/45/1433384045.db2.gz GKMQNZMBTGDSGH-HXUWFJFHSA-N 2 0 382.552 3.024 10 0 GGAERP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(OC(F)(F)F)c3)cn2)CC1 ZINC000237035162 1433386508 /nfs/dbraw/zinc/38/65/08/1433386508.db2.gz HFXKRFQFAARNBU-UHFFFAOYSA-N 2 0 380.414 3.022 10 0 GGAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000237157835 1433390882 /nfs/dbraw/zinc/39/08/82/1433390882.db2.gz CXLQKNROYORDIY-UHFFFAOYSA-N 2 0 388.781 3.466 10 0 GGAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000237165443 1433391154 /nfs/dbraw/zinc/39/11/54/1433391154.db2.gz FDJVKOZFVJKAFR-UHFFFAOYSA-N 2 0 382.552 3.024 10 0 GGAERP O=C(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)NCc1ccccc1 ZINC000245769935 1433514769 /nfs/dbraw/zinc/51/47/69/1433514769.db2.gz XAZYJTRDOALTOW-NUNAXRQHSA-N 2 0 377.532 3.478 10 0 GGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCCN(c4ncccn4)C2)C3)cc1 ZINC000248826247 1433824263 /nfs/dbraw/zinc/82/42/63/1433824263.db2.gz GHXHKCMTTOAAMO-MYGLTJDJSA-N 2 0 377.536 3.231 10 0 GGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCCN(c4ncccn4)C2)C3)cc1 ZINC000248826241 1433824328 /nfs/dbraw/zinc/82/43/28/1433824328.db2.gz GHXHKCMTTOAAMO-KJJMTIBFSA-N 2 0 377.536 3.231 10 0 GGAERP C[N@@H+](Cc1ccncc1)C[C@H]1CCC2(CC[NH+](Cc3ccc(O)cc3)CC2)O1 ZINC000257192173 1433894525 /nfs/dbraw/zinc/89/45/25/1433894525.db2.gz STGKBXWLYPJFOO-JOCHJYFZSA-N 2 0 381.520 3.433 10 0 GGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2cccc(C)c2)CC1 ZINC000466895775 1126093711 /nfs/dbraw/zinc/09/37/11/1126093711.db2.gz LMFTYNMKPZWFDG-QHCPKHFHSA-N 2 0 381.564 3.220 10 0 GGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2ccccc2C)CC1 ZINC000466905652 1126094009 /nfs/dbraw/zinc/09/40/09/1126094009.db2.gz UMTKVDDHRIVIHX-HSZRJFAPSA-N 2 0 381.564 3.220 10 0 GGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2ccccc2C)CC1 ZINC000466905653 1126094026 /nfs/dbraw/zinc/09/40/26/1126094026.db2.gz UMTKVDDHRIVIHX-QHCPKHFHSA-N 2 0 381.564 3.220 10 0 GGAERP CC(C)CC[N@@H+]1CCN(Cc2cc(C[NH+]3CCCC3)cs2)C[C@@H]1CCO ZINC000019222204 210230831 /nfs/dbraw/zinc/23/08/31/210230831.db2.gz ASMXYKTYYJWGPX-FQEVSTJZSA-N 2 0 379.614 3.259 10 0 GGAERP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015065948 210148545 /nfs/dbraw/zinc/14/85/45/210148545.db2.gz NGTZEPLJRSPYTO-UHFFFAOYSA-N 2 0 385.474 3.375 10 0 GGAERP COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000014953970 210133995 /nfs/dbraw/zinc/13/39/95/210133995.db2.gz XWSFXYWUAIINEU-OAQYLSRUSA-N 2 0 384.520 3.129 10 0 GGAERP CC1(C)CC(OC(=O)/C=C/C(=O)OC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000004754126 209523326 /nfs/dbraw/zinc/52/33/26/209523326.db2.gz SNOYIYKTIUXTEF-MDZDMXLPSA-N 2 0 394.556 3.247 10 0 GGAERP Cc1cnccc1C[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000096835295 211347434 /nfs/dbraw/zinc/34/74/34/211347434.db2.gz VXLKCGGFNCZGTP-JOCHJYFZSA-N 2 0 383.536 3.248 10 0 GGAERP CC[N@H+](CCC1CC[NH+](Cc2cc(=O)n3nc(C)sc3n2)CC1)CC(C)C ZINC000095459575 211243675 /nfs/dbraw/zinc/24/36/75/211243675.db2.gz WNIMHLVVHBYZMI-UHFFFAOYSA-N 2 0 391.585 3.039 10 0 GGAERP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000095452458 211243015 /nfs/dbraw/zinc/24/30/15/211243015.db2.gz BXXRRMJKRKGQLS-PMACEKPBSA-N 2 0 389.584 3.323 10 0 GGAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCSCC2)cc1 ZINC000020538972 210346737 /nfs/dbraw/zinc/34/67/37/210346737.db2.gz PFFILVKOBUYLSL-OAQYLSRUSA-N 2 0 386.561 3.107 10 0 GGAERP CC[N@@H+]1CCC[C@@H]1CN(Cc1cccc(C)n1)CC1CC[NH+](CCOC)CC1 ZINC000019794726 210298415 /nfs/dbraw/zinc/29/84/15/210298415.db2.gz QVXCJSMTDZQFGW-HSZRJFAPSA-N 2 0 388.600 3.035 10 0 GGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(I)c2)C1 ZINC000453057906 567050514 /nfs/dbraw/zinc/05/05/14/567050514.db2.gz FZPIWMSRVFLZTL-RYUDHWBXSA-N 2 0 376.257 3.423 10 0 GGAERP Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000154575680 565045099 /nfs/dbraw/zinc/04/50/99/565045099.db2.gz PTTFGFTXXSWINK-SUMWQHHRSA-N 2 0 391.313 3.446 10 0 GGAERP C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]21 ZINC000158859711 565184219 /nfs/dbraw/zinc/18/42/19/565184219.db2.gz HGNBHXMGGAGPOE-CJNGLKHVSA-N 2 0 391.313 3.415 10 0 GGAERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000187115300 565311163 /nfs/dbraw/zinc/31/11/63/565311163.db2.gz CNJNTRCMHOHESM-SNVBAGLBSA-N 2 0 391.151 3.225 10 0 GGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2Br)[C@@H](C)C1 ZINC000298720005 565426075 /nfs/dbraw/zinc/42/60/75/565426075.db2.gz UPHFFYXPJHWYCX-YOEHRIQHSA-N 2 0 382.346 3.440 10 0 GGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000298719997 565426517 /nfs/dbraw/zinc/42/65/17/565426517.db2.gz UPHFFYXPJHWYCX-PBHICJAKSA-N 2 0 382.346 3.440 10 0 GGAERP C[NH+]1CCC(C[NH2+]Cc2ncc(C(F)(F)F)s2)(N2CCCCC2)CC1 ZINC000377887985 565503967 /nfs/dbraw/zinc/50/39/67/565503967.db2.gz ODFCAOLVUFINMI-UHFFFAOYSA-N 2 0 376.492 3.202 10 0 GGAERP Cc1[nH+]c2ccc(Br)cc2c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1C ZINC000301687361 565504459 /nfs/dbraw/zinc/50/44/59/565504459.db2.gz XHUVYFQNNIASBI-IRXDYDNUSA-N 2 0 376.298 3.133 10 0 GGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178032929 565891372 /nfs/dbraw/zinc/89/13/72/565891372.db2.gz DZWVWQSMUICMJD-YJBOKZPZSA-N 2 0 396.373 3.278 10 0 GGAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178069665 565894739 /nfs/dbraw/zinc/89/47/39/565894739.db2.gz UYHOARDOJHGWJM-SJLPKXTDSA-N 2 0 397.357 3.489 10 0 GGAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178288897 565910551 /nfs/dbraw/zinc/91/05/51/565910551.db2.gz YQSXCAYYISYAQM-GOSISDBHSA-N 2 0 396.373 3.278 10 0 GGAERP COc1cc(C[NH2+]C[C@@H]2CCCN2C)cc(Br)c1OC(F)F ZINC000237242333 565954320 /nfs/dbraw/zinc/95/43/20/565954320.db2.gz SZGXPGDGNHLIMD-NSHDSACASA-N 2 0 379.245 3.243 10 0 GGAERP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000414697285 565956858 /nfs/dbraw/zinc/95/68/58/565956858.db2.gz CAMBVXQAJAVWOX-HNNXBMFYSA-N 2 0 381.973 3.094 10 0 GGAERP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414828013 565962258 /nfs/dbraw/zinc/96/22/58/565962258.db2.gz IFPNFZLOWYLEBJ-HNNXBMFYSA-N 2 0 377.330 3.341 10 0 GGAERP COc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc(Br)c1OC(F)F ZINC000414826840 565962927 /nfs/dbraw/zinc/96/29/27/565962927.db2.gz GHVFLKIQWWGXHX-JTQLQIEISA-N 2 0 379.245 3.148 10 0 GGAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCOc1cccc(I)c1 ZINC000414982142 565968065 /nfs/dbraw/zinc/96/80/65/565968065.db2.gz YMKXWLTXWIJASK-HNNXBMFYSA-N 2 0 388.293 3.038 10 0 GGAERP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC000415080214 565973157 /nfs/dbraw/zinc/97/31/57/565973157.db2.gz YIIVKZPAXPTRRA-QGZVFWFLSA-N 2 0 394.357 3.094 10 0 GGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000246413001 566028313 /nfs/dbraw/zinc/02/83/13/566028313.db2.gz BICXPHPBYFEANY-ZQIUZPCESA-N 2 0 375.340 3.395 10 0 GGAERP C[C@@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000180092622 566031737 /nfs/dbraw/zinc/03/17/37/566031737.db2.gz LIRQARRFRTWKIJ-KXBFYZLASA-N 2 0 380.374 3.373 10 0 GGAERP C[C@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000180092635 566031907 /nfs/dbraw/zinc/03/19/07/566031907.db2.gz LIRQARRFRTWKIJ-BEFAXECRSA-N 2 0 380.374 3.373 10 0 GGAERP CCc1cnc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)s1 ZINC000180145912 566037542 /nfs/dbraw/zinc/03/75/42/566037542.db2.gz UUPDYKXPIRTGDM-UHFFFAOYSA-N 2 0 378.973 3.443 10 0 GGAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000247334014 566059423 /nfs/dbraw/zinc/05/94/23/566059423.db2.gz YXNXEDHLVNIHBJ-MAUKXSAKSA-N 2 0 396.373 3.070 10 0 GGAERP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000247982079 566069904 /nfs/dbraw/zinc/06/99/04/566069904.db2.gz IKUXEZJGOJNGLQ-SUMWQHHRSA-N 2 0 398.320 3.333 10 0 GGAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000248172056 566073745 /nfs/dbraw/zinc/07/37/45/566073745.db2.gz UYHOARDOJHGWJM-WMZOPIPTSA-N 2 0 397.357 3.489 10 0 GGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261702336 566130686 /nfs/dbraw/zinc/13/06/86/566130686.db2.gz IOFLMCLZTWJKTR-QWQRMKEZSA-N 2 0 382.346 3.002 10 0 GGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261702330 566130894 /nfs/dbraw/zinc/13/08/94/566130894.db2.gz IOFLMCLZTWJKTR-IYOUNJFTSA-N 2 0 382.346 3.002 10 0 GGAERP C[C@@H](NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)[C@H](C)[NH3+] ZINC000418716210 566220288 /nfs/dbraw/zinc/22/02/88/566220288.db2.gz ZNBLVMRFTJXVBB-QWHCGFSZSA-N 2 0 375.344 3.192 10 0 GGAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(C(F)(F)F)c1 ZINC000625024008 566266482 /nfs/dbraw/zinc/26/64/82/566266482.db2.gz HRVGJQCVJYXBSA-AWEZNQCLSA-N 2 0 377.476 3.255 10 0 GGAERP Cc1c([C@@H](C)[NH2+]CCCC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000481961465 566269087 /nfs/dbraw/zinc/26/90/87/566269087.db2.gz NYFQJEFLVXJIAO-CYBMUJFWSA-N 2 0 380.334 3.331 10 0 GGAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000648416138 566281331 /nfs/dbraw/zinc/28/13/31/566281331.db2.gz VNPNHGSABCABHQ-INIZCTEOSA-N 2 0 384.337 3.191 10 0 GGAERP COCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccccc1I ZINC000482241773 566295825 /nfs/dbraw/zinc/29/58/25/566295825.db2.gz JFVGFAURTGPOAA-KGLIPLIRSA-N 2 0 388.293 3.053 10 0 GGAERP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000625258845 566300434 /nfs/dbraw/zinc/30/04/34/566300434.db2.gz AJVPNWXCALAVQW-KRWDZBQOSA-N 2 0 389.297 3.305 10 0 GGAERP COc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000556939380 566348008 /nfs/dbraw/zinc/34/80/08/566348008.db2.gz YISMDBBALDIEPC-TVQRCGJNSA-N 2 0 392.135 3.308 10 0 GGAERP COc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000556939375 566348285 /nfs/dbraw/zinc/34/82/85/566348285.db2.gz YISMDBBALDIEPC-NOZJJQNGSA-N 2 0 392.135 3.308 10 0 GGAERP CC(C)C[C@H]([NH2+][C@H]1CCc2c1cccc2Br)C(=O)NCC[NH+](C)C ZINC000537446649 566446975 /nfs/dbraw/zinc/44/69/75/566446975.db2.gz SXIUIJGTRQNYQZ-ROUUACIJSA-N 2 0 396.373 3.119 10 0 GGAERP C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000627067360 566462373 /nfs/dbraw/zinc/46/23/73/566462373.db2.gz AGDMUOUIJAMVTK-JDFRZJQESA-N 2 0 387.355 3.283 10 0 GGAERP C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000627067359 566462461 /nfs/dbraw/zinc/46/24/61/566462461.db2.gz AGDMUOUIJAMVTK-DXCKQFNASA-N 2 0 387.355 3.283 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627085797 566463454 /nfs/dbraw/zinc/46/34/54/566463454.db2.gz WLVZJRPELKNMRI-FUHWJXTLSA-N 2 0 387.355 3.285 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627085796 566463497 /nfs/dbraw/zinc/46/34/97/566463497.db2.gz WLVZJRPELKNMRI-AEFFLSMTSA-N 2 0 387.355 3.285 10 0 GGAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422877405 566465824 /nfs/dbraw/zinc/46/58/24/566465824.db2.gz RINHGHVXOCMFSC-ZLDLUXBVSA-N 2 0 376.854 3.310 10 0 GGAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627116701 566466274 /nfs/dbraw/zinc/46/62/74/566466274.db2.gz PFCOYGXMXDFBRU-HZPDHXFCSA-N 2 0 375.344 3.269 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)NCCC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000627110521 566466304 /nfs/dbraw/zinc/46/63/04/566466304.db2.gz BOGHUKWJPJLVMQ-QGZVFWFLSA-N 2 0 387.355 3.285 10 0 GGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000422934984 566467121 /nfs/dbraw/zinc/46/71/21/566467121.db2.gz GWUSUTUFPZMWEB-HUUCEWRRSA-N 2 0 397.357 3.291 10 0 GGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000422932180 566467153 /nfs/dbraw/zinc/46/71/53/566467153.db2.gz DXXMZEORFDOFIV-LLVKDONJSA-N 2 0 392.297 3.233 10 0 GGAERP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707268 566471536 /nfs/dbraw/zinc/47/15/36/566471536.db2.gz BXOJEPJTXTVDSR-XCRHUMRWSA-N 2 0 383.330 3.176 10 0 GGAERP COc1cc(C[NH2+]CCC2(C[NH3+])CC2)cc(Br)c1OC(F)F ZINC000650712863 566472143 /nfs/dbraw/zinc/47/21/43/566472143.db2.gz YGNBJUUKGDPONF-UHFFFAOYSA-N 2 0 379.245 3.278 10 0 GGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423076577 566472922 /nfs/dbraw/zinc/47/29/22/566472922.db2.gz ZHXMYHMGYLHNQQ-MOPGFXCFSA-N 2 0 392.341 3.471 10 0 GGAERP CCCN(C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000627219928 566473097 /nfs/dbraw/zinc/47/30/97/566473097.db2.gz JEDYFEBFLPCWBH-RHSMWYFYSA-N 2 0 387.355 3.380 10 0 GGAERP CCCN(C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000627219930 566473489 /nfs/dbraw/zinc/47/34/89/566473489.db2.gz JEDYFEBFLPCWBH-YOEHRIQHSA-N 2 0 387.355 3.380 10 0 GGAERP COc1c(Br)cccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723355 566473491 /nfs/dbraw/zinc/47/34/91/566473491.db2.gz MHMNJWPCWKOCRH-UAGQMJEPSA-N 2 0 383.330 3.319 10 0 GGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000423069906 566473870 /nfs/dbraw/zinc/47/38/70/566473870.db2.gz BSXBAALMYJRGAB-UKRRQHHQSA-N 2 0 392.341 3.113 10 0 GGAERP COCC1(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000423407253 566487998 /nfs/dbraw/zinc/48/79/98/566487998.db2.gz MEWKXOIKBVLYGJ-MRXNPFEDSA-N 2 0 383.330 3.269 10 0 GGAERP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423507953 566491424 /nfs/dbraw/zinc/49/14/24/566491424.db2.gz KFLSCJXSUJZUAC-WTNGLUPJSA-N 2 0 396.348 3.382 10 0 GGAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423525930 566492399 /nfs/dbraw/zinc/49/23/99/566492399.db2.gz YVBHMKFJIAFVFU-YOEHRIQHSA-N 2 0 378.314 3.069 10 0 GGAERP Brc1ccc2c(c1)CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519361 566492476 /nfs/dbraw/zinc/49/24/76/566492476.db2.gz PRFPZHDSFLPHHS-FAFZWHIHSA-N 2 0 378.358 3.242 10 0 GGAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Br)c(F)c1 ZINC000423519545 566492851 /nfs/dbraw/zinc/49/28/51/566492851.db2.gz PYCMOWCMMOCBDV-JEYLPNPQSA-N 2 0 384.337 3.455 10 0 GGAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)c(Br)c1 ZINC000423520233 566493415 /nfs/dbraw/zinc/49/34/15/566493415.db2.gz RAFBDXWVWIBQTR-JEYLPNPQSA-N 2 0 384.337 3.455 10 0 GGAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)c(Br)c1 ZINC000423520231 566493510 /nfs/dbraw/zinc/49/35/10/566493510.db2.gz RAFBDXWVWIBQTR-IUDNXUCKSA-N 2 0 384.337 3.455 10 0 GGAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000578232319 566502944 /nfs/dbraw/zinc/50/29/44/566502944.db2.gz OSUXXJRPNQBBEE-MRXNPFEDSA-N 2 0 375.340 3.445 10 0 GGAERP Brc1cccc2c(C[NH2+]CCCC[NH+]3CCOCC3)ccnc12 ZINC000449084872 566527827 /nfs/dbraw/zinc/52/78/27/566527827.db2.gz ZJWSWTKVBINOAZ-UHFFFAOYSA-N 2 0 378.314 3.199 10 0 GGAERP CC(C)[C@@H](C[NH2+][C@@H]1CCc2c1ccc(F)c2Br)N1CC[NH+](C)CC1 ZINC000449073384 566528273 /nfs/dbraw/zinc/52/82/73/566528273.db2.gz IQPIUXPOBTUKMP-QZTJIDSGSA-N 2 0 398.364 3.437 10 0 GGAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449150494 566533176 /nfs/dbraw/zinc/53/31/76/566533176.db2.gz RLGROFQLSZKZLJ-DYVFJYSZSA-N 2 0 385.321 3.402 10 0 GGAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449223454 566538637 /nfs/dbraw/zinc/53/86/37/566538637.db2.gz JYXZIFCXRGKRRY-KRWDZBQOSA-N 2 0 384.337 3.191 10 0 GGAERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000539644668 566594991 /nfs/dbraw/zinc/59/49/91/566594991.db2.gz CENYFQSCMQRMIH-YOEHRIQHSA-N 2 0 384.362 3.192 10 0 GGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOc2cccc(Br)c2)C1 ZINC000652364142 566604914 /nfs/dbraw/zinc/60/49/14/566604914.db2.gz ZLIWHSJKHZQOTR-NJAFHUGGSA-N 2 0 383.330 3.189 10 0 GGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2cccc(Br)c2)C1 ZINC000652364140 566604976 /nfs/dbraw/zinc/60/49/76/566604976.db2.gz ZLIWHSJKHZQOTR-BPQIPLTHSA-N 2 0 383.330 3.189 10 0 GGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000560260700 566612420 /nfs/dbraw/zinc/61/24/20/566612420.db2.gz XSQCIFFNCQTTOM-UHFFFAOYSA-N 2 0 383.330 3.447 10 0 GGAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc(Br)c1OC ZINC000513708563 566619260 /nfs/dbraw/zinc/61/92/60/566619260.db2.gz TZJUHBAEWKMBNP-IMJJTQAJSA-N 2 0 383.330 3.429 10 0 GGAERP COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629558181 566666128 /nfs/dbraw/zinc/66/61/28/566666128.db2.gz CJVOWLHEWQRJNM-ZBFHGGJFSA-N 2 0 381.314 3.116 10 0 GGAERP FC(F)Oc1c(Br)cccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580194643 566672526 /nfs/dbraw/zinc/67/25/26/566672526.db2.gz ZDLAPNYGQDOZPH-TXEJJXNPSA-N 2 0 375.257 3.482 10 0 GGAERP C[NH+]1CCC(O)(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000676904800 566716005 /nfs/dbraw/zinc/71/60/05/566716005.db2.gz VPGXGWWWHHYEKB-UHFFFAOYSA-N 2 0 396.354 3.119 10 0 GGAERP Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1cccc(Br)c1 ZINC000655805653 566851490 /nfs/dbraw/zinc/85/14/90/566851490.db2.gz JUAZXDCVGQELBQ-MRRJBJDNSA-N 2 0 392.345 3.329 10 0 GGAERP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827009 566851904 /nfs/dbraw/zinc/85/19/04/566851904.db2.gz MPYTVWKAQALBFT-KDYLLFBJSA-N 2 0 385.346 3.294 10 0 GGAERP CC(C)C[C@H]([NH2+][C@H](C)c1cc(Br)cs1)C(=O)NCC[NH+](C)C ZINC000494649684 567015172 /nfs/dbraw/zinc/01/51/72/567015172.db2.gz RGAYGQOCIDPNSX-OCCSQVGLSA-N 2 0 390.391 3.254 10 0 GGAERP Brc1ccccc1N1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657357132 567051092 /nfs/dbraw/zinc/05/10/92/567051092.db2.gz RBTSHWAUKQPLCD-HNNXBMFYSA-N 2 0 398.308 3.398 10 0 GGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(I)c2)C1 ZINC000453057905 567051162 /nfs/dbraw/zinc/05/11/62/567051162.db2.gz FZPIWMSRVFLZTL-NWDGAFQWSA-N 2 0 376.257 3.423 10 0 GGAERP C[NH+]1CCC(C[NH2+]Cc2c(F)cncc2Br)(N2CCCCC2)CC1 ZINC000657378411 567051552 /nfs/dbraw/zinc/05/15/52/567051552.db2.gz VJAJERBHECVTCV-UHFFFAOYSA-N 2 0 399.352 3.023 10 0 GGAERP COc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1Br ZINC000657535724 567066934 /nfs/dbraw/zinc/06/69/34/567066934.db2.gz AZKPDGSBIAKOFM-UHFFFAOYSA-N 2 0 397.357 3.438 10 0 GGAERP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cnc3c(C)cc(Br)cn23)C1 ZINC000657577078 567073097 /nfs/dbraw/zinc/07/30/97/567073097.db2.gz OKXCFHTUWLRGGA-XYPHTWIQSA-N 2 0 396.329 3.061 10 0 GGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)s3)cc2)C1 ZINC000657596102 567074050 /nfs/dbraw/zinc/07/40/50/567074050.db2.gz UWGPAJWAPBKEQA-HNNXBMFYSA-N 2 0 381.339 3.367 10 0 GGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)cc3F)cc2)C1 ZINC000657593994 567074866 /nfs/dbraw/zinc/07/48/66/567074866.db2.gz GAUSMLYKXUNWBW-SFHVURJKSA-N 2 0 393.300 3.445 10 0 GGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3sccc3Br)cc2)C1 ZINC000657594848 567075111 /nfs/dbraw/zinc/07/51/11/567075111.db2.gz DICOFROCIUOMKM-HNNXBMFYSA-N 2 0 381.339 3.367 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)[C@@H]2CCC[C@H]21 ZINC000453367421 567080511 /nfs/dbraw/zinc/08/05/11/567080511.db2.gz MMFZCPKHVCFETQ-SKSLQVBQSA-N 2 0 399.348 3.202 10 0 GGAERP Cc1cc(Br)c(CNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000453566926 567090586 /nfs/dbraw/zinc/09/05/86/567090586.db2.gz GFNCGAWEOWFJGV-INIZCTEOSA-N 2 0 395.366 3.328 10 0 GGAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cn1 ZINC000658070470 567119031 /nfs/dbraw/zinc/11/90/31/567119031.db2.gz PDMHTWYMQNSGMZ-AWEZNQCLSA-N 2 0 382.346 3.386 10 0 GGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)cn1 ZINC000658141086 567124332 /nfs/dbraw/zinc/12/43/32/567124332.db2.gz WEWNCWNWZSWAHK-KDOFPFPSSA-N 2 0 390.325 3.262 10 0 GGAERP CN1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638838389 567275047 /nfs/dbraw/zinc/27/50/47/567275047.db2.gz HVKLIPRAHZADJM-MOPGFXCFSA-N 2 0 378.358 3.436 10 0 GGAERP CN(C)Cc1ccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1Br ZINC000569004627 567372327 /nfs/dbraw/zinc/37/23/27/567372327.db2.gz IJTNORQWTPZOHG-SFHVURJKSA-N 2 0 376.298 3.323 10 0 GGAERP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000662258906 567422062 /nfs/dbraw/zinc/42/20/62/567422062.db2.gz XXIYKWCYTAVHLB-UKRRQHHQSA-N 2 0 383.355 3.439 10 0 GGAERP Brc1cccc(C[C@@H]2CCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662282069 567424239 /nfs/dbraw/zinc/42/42/39/567424239.db2.gz CQJRHOIGLNQJJG-ZWKOTPCHSA-N 2 0 379.342 3.367 10 0 GGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ncc(Br)cc2Cl)C1 ZINC000662285008 567424667 /nfs/dbraw/zinc/42/46/67/567424667.db2.gz TZQFMURESZRBLI-UHOFOFEASA-N 2 0 388.737 3.358 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1 ZINC000662292281 567426091 /nfs/dbraw/zinc/42/60/91/567426091.db2.gz CYNDXKAYYJHTMU-MRXNPFEDSA-N 2 0 394.357 3.489 10 0 GGAERP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1 ZINC000662293640 567426263 /nfs/dbraw/zinc/42/62/63/567426263.db2.gz GZHBLOFUSOUVJS-OAHLLOKOSA-N 2 0 380.330 3.099 10 0 GGAERP COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323562 567427583 /nfs/dbraw/zinc/42/75/83/567427583.db2.gz NMJODCMXVMAKTL-GOSISDBHSA-N 2 0 399.373 3.433 10 0 GGAERP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC/C=C/C[NH3+] ZINC000641865013 567459080 /nfs/dbraw/zinc/45/90/80/567459080.db2.gz NJHYFFUWDVMBMR-AATRIKPKSA-N 2 0 387.355 3.362 10 0 GGAERP [NH3+]C/C=C/CNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000641865366 567459190 /nfs/dbraw/zinc/45/91/90/567459190.db2.gz UMGUZMUNCTUXFH-OWOJBTEDSA-N 2 0 385.339 3.116 10 0 GGAERP CC[N@@H+]1CC[C@H](N(C)C(=O)c2sc3c(c2Br)CNC3)C[C@@H]1C ZINC000662743906 567461376 /nfs/dbraw/zinc/46/13/76/567461376.db2.gz WZXTUZKPQNZWEZ-QWRGUYRKSA-N 2 0 386.359 3.059 10 0 GGAERP Cc1cncn1CC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000529013104 567478198 /nfs/dbraw/zinc/47/81/98/567478198.db2.gz WEUXCQFXHHQUCC-UHFFFAOYSA-N 2 0 381.307 3.279 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)[C@@H]2CCC[C@H]21 ZINC000570553180 567495074 /nfs/dbraw/zinc/49/50/74/567495074.db2.gz ARUMOWKNSHGURA-XGXHKWSGSA-N 2 0 381.358 3.063 10 0 GGAERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000570564272 567496770 /nfs/dbraw/zinc/49/67/70/567496770.db2.gz KXNBFGBEGHZCCG-NRXISQOPSA-N 2 0 375.340 3.443 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000529390294 567511547 /nfs/dbraw/zinc/51/15/47/567511547.db2.gz YLNXCBCMHVNIKY-DYVFJYSZSA-N 2 0 387.355 3.367 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(Cl)c1 ZINC000529383542 567511830 /nfs/dbraw/zinc/51/18/30/567511830.db2.gz HTDRKHVAKVUEKY-JKIFEVAISA-N 2 0 385.339 3.132 10 0 GGAERP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(Br)cc1Cl ZINC000664330284 567564082 /nfs/dbraw/zinc/56/40/82/567564082.db2.gz ITKZZFZCANSEQR-UHFFFAOYSA-N 2 0 391.741 3.108 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000552248894 567570549 /nfs/dbraw/zinc/57/05/49/567570549.db2.gz WMUJALDOXQLXRG-BVBHFADKSA-N 2 0 378.358 3.490 10 0 GGAERP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)nc12 ZINC000552283462 567573315 /nfs/dbraw/zinc/57/33/15/567573315.db2.gz DPSFTJIXWQPNTL-RCCFBDPRSA-N 2 0 391.357 3.410 10 0 GGAERP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)nc12 ZINC000552283460 567573693 /nfs/dbraw/zinc/57/36/93/567573693.db2.gz DPSFTJIXWQPNTL-KURKYZTESA-N 2 0 391.357 3.410 10 0 GGAERP O[C@@H]1CC[N@@H+](C2CCN(c3nccc4cc(Br)ccc43)CC2)C1 ZINC000664596270 567577446 /nfs/dbraw/zinc/57/74/46/567577446.db2.gz IHQVVWQXIYKMLM-MRXNPFEDSA-N 2 0 376.298 3.033 10 0 GGAERP Brc1ccccc1C[NH+]1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530177845 567579795 /nfs/dbraw/zinc/57/97/95/567579795.db2.gz IMFYCHVMHCTZQE-SFHVURJKSA-N 2 0 378.358 3.288 10 0 GGAERP COc1ccc(Br)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530241294 567586236 /nfs/dbraw/zinc/58/62/36/567586236.db2.gz PQHZGLZVLHFVEO-QGZVFWFLSA-N 2 0 383.330 3.048 10 0 GGAERP COc1ccc(Br)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530241293 567586524 /nfs/dbraw/zinc/58/65/24/567586524.db2.gz PQHZGLZVLHFVEO-KRWDZBQOSA-N 2 0 383.330 3.048 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2sccc2Br)CC1 ZINC000665285736 567615558 /nfs/dbraw/zinc/61/55/58/567615558.db2.gz VIYUWWSBYKFUFG-GFCCVEGCSA-N 2 0 388.375 3.152 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000665285440 567616002 /nfs/dbraw/zinc/61/60/02/567616002.db2.gz MPXWVHGMPBPZRA-CQSZACIVSA-N 2 0 382.346 3.090 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)cs2)CC1 ZINC000665289625 567616808 /nfs/dbraw/zinc/61/68/08/567616808.db2.gz SVDIZGGRNJXKNW-LBPRGKRZSA-N 2 0 388.375 3.152 10 0 GGAERP Ic1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000596655313 567647208 /nfs/dbraw/zinc/64/72/08/567647208.db2.gz UUWAGKBAJMDVPS-GVDBMIGSSA-N 2 0 384.305 3.344 10 0 GGAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(I)cc1 ZINC000596655910 567647347 /nfs/dbraw/zinc/64/73/47/567647347.db2.gz ZNPBFHMXGPZRQW-KSSFIOAISA-N 2 0 394.300 3.382 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@@H]2CCC[C@@H]21 ZINC000572655315 567656317 /nfs/dbraw/zinc/65/63/17/567656317.db2.gz YVNYTDMDTXBQCY-FZCLSBEQSA-N 2 0 378.358 3.490 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@@H]2CCC[C@H]21 ZINC000572655318 567656693 /nfs/dbraw/zinc/65/66/93/567656693.db2.gz YVNYTDMDTXBQCY-MXSMSXNCSA-N 2 0 378.358 3.490 10 0 GGAERP O=C(C[C@H]1CC[NH2+]C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000646254004 567702630 /nfs/dbraw/zinc/70/26/30/567702630.db2.gz INWOZKJBLQAIOZ-OAHLLOKOSA-N 2 0 384.351 3.417 10 0 GGAERP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623412880 567708764 /nfs/dbraw/zinc/70/87/64/567708764.db2.gz BBOWOFOAXQBJQV-INIZCTEOSA-N 2 0 396.373 3.260 10 0 GGAERP Cc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541629 567720023 /nfs/dbraw/zinc/72/00/23/567720023.db2.gz RCLGUWASVPMXIN-IAGOWNOFSA-N 2 0 383.374 3.371 10 0 GGAERP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623542228 567720167 /nfs/dbraw/zinc/72/01/67/567720167.db2.gz SCSNILHNECWLNA-RHSMWYFYSA-N 2 0 399.373 3.071 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542338 567720371 /nfs/dbraw/zinc/72/03/71/567720371.db2.gz WKHYSAZGQSOVJL-GJZGRUSLSA-N 2 0 387.337 3.202 10 0 GGAERP Cc1ccc(C[C@@H](CO)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541631 567720947 /nfs/dbraw/zinc/72/09/47/567720947.db2.gz RCLGUWASVPMXIN-SJORKVTESA-N 2 0 383.374 3.371 10 0 GGAERP C[N@@H+]1C[C@@H](CNCc2ncc(Br)cc2F)[C@H](c2ccccc2)C1 ZINC000623557919 567722116 /nfs/dbraw/zinc/72/21/16/567722116.db2.gz LOINNAIUYBYIKS-ZBFHGGJFSA-N 2 0 378.289 3.418 10 0 GGAERP COc1ncc(Br)cc1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000623664860 567729499 /nfs/dbraw/zinc/72/94/99/567729499.db2.gz QSWFRRRXLZTTOF-UHFFFAOYSA-N 2 0 391.313 3.002 10 0 GGAERP FC(F)Oc1ccc(Br)c(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000647171352 567767763 /nfs/dbraw/zinc/76/77/63/567767763.db2.gz GXHORDINRNIUCX-UHFFFAOYSA-N 2 0 393.272 3.253 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccccc1Br ZINC000647901615 567805589 /nfs/dbraw/zinc/80/55/89/567805589.db2.gz RPERTQDCSYWEQN-GDBMZVCRSA-N 2 0 380.330 3.242 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc(Br)c1 ZINC000647902909 567806241 /nfs/dbraw/zinc/80/62/41/567806241.db2.gz DJUGEOYUEUBYDV-YOEHRIQHSA-N 2 0 380.330 3.242 10 0 GGAERP C[NH+]1CCC(N2CC[N@H+](Cc3ccc(-c4ccccc4)cc3)C[C@H]2CCO)CC1 ZINC000104400553 570257690 /nfs/dbraw/zinc/25/76/90/570257690.db2.gz QUNSGWRZDUBGKM-RUZDIDTESA-N 2 0 393.575 3.316 10 0 GGAERP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccnc2)C[C@H](C)O1 ZINC000237776041 570395836 /nfs/dbraw/zinc/39/58/36/570395836.db2.gz UUMRINVWULRCQU-HDICACEKSA-N 2 0 391.519 3.371 10 0 GGAERP COCC[NH+]1CCC(C[N@@H+](Cc2cccc(C(C)=O)c2)C[C@@H]2CCCO2)CC1 ZINC000011874755 570589975 /nfs/dbraw/zinc/58/99/75/570589975.db2.gz QVOYSPXYZAWJMQ-QHCPKHFHSA-N 2 0 388.552 3.229 10 0 GGAERP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c(C)cc(C)cc3-n3cccn3)C2)C1 ZINC000012570229 570680730 /nfs/dbraw/zinc/68/07/30/570680730.db2.gz AESSXTZRMJWKSO-HSZRJFAPSA-N 2 0 382.552 3.423 10 0 GGAERP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3c(Cl)nc4ccccn43)cc2)CC1 ZINC000054468193 1406743965 /nfs/dbraw/zinc/74/39/65/1406743965.db2.gz HYRQHNRVBBGPKM-UHFFFAOYSA-N 2 0 397.954 3.415 10 0 GGAERP C[C@@H](/C=C/C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020028392 1399340689 /nfs/dbraw/zinc/34/06/89/1399340689.db2.gz PCETXSPWNPALJW-OFAQMXQXSA-N 3 0 392.632 3.255 10 0 GGAERP C[NH+](C)CCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000048685401 1405257226 /nfs/dbraw/zinc/25/72/26/1405257226.db2.gz YGPIKAZILCUVNK-UHFFFAOYSA-N 2 0 381.520 3.021 10 0 GGAERP COc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000048717141 1405267177 /nfs/dbraw/zinc/26/71/77/1405267177.db2.gz FOEKJYDZGLHKMK-UHFFFAOYSA-N 2 0 380.492 3.316 10 0 GGAERP C[NH+](C)CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057174560 1407546178 /nfs/dbraw/zinc/54/61/78/1407546178.db2.gz FNRIRKNUPNELBR-UHFFFAOYSA-N 2 0 395.547 3.155 10 0 GGAERP CN(C)C(=O)COc1ccccc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000067978344 1409268282 /nfs/dbraw/zinc/26/82/82/1409268282.db2.gz HVQPZZCUYGRNTG-UHFFFAOYSA-N 2 0 395.547 3.155 10 0 GGAERP Cc1ccc([C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)N2CCOCC2)cc1 ZINC000069783852 1409698353 /nfs/dbraw/zinc/69/83/53/1409698353.db2.gz AJDASYUSVVQKHB-XMMPIXPASA-N 2 0 397.563 3.099 10 0 GGAERP CC(C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1OC(F)F)N1CC[NH+](C)CC1 ZINC000078891580 1409940610 /nfs/dbraw/zinc/94/06/10/1409940610.db2.gz GOMNRHMVXRFMHP-MRXNPFEDSA-N 2 0 375.891 3.303 10 0 GGAERP C[NH+](C)CCOc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000092644638 1410182705 /nfs/dbraw/zinc/18/27/05/1410182705.db2.gz IMMCPKUUIYKZSS-UHFFFAOYSA-N 2 0 387.568 3.288 10 0 GGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000105441921 1411066708 /nfs/dbraw/zinc/06/67/08/1411066708.db2.gz DHJYMNIFPDYWMS-HXUWFJFHSA-N 2 0 391.563 3.389 10 0 GGAERP COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc(OC)c1 ZINC000105463189 1411068937 /nfs/dbraw/zinc/06/89/37/1411068937.db2.gz CVUHPTHYCCJZGJ-MRXNPFEDSA-N 2 0 387.499 3.446 10 0 GGAERP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC000105495824 1411073247 /nfs/dbraw/zinc/07/32/47/1411073247.db2.gz DJLCBBGDKSVZNG-UHFFFAOYSA-N 2 0 376.504 3.119 10 0 GGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)OCCO4)cc2)C[C@H](C)O1 ZINC000119682811 1413530385 /nfs/dbraw/zinc/53/03/85/1413530385.db2.gz CJPADUVPXZIXRT-HDICACEKSA-N 2 0 382.504 3.357 10 0 GGAERP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)CC2 ZINC000121301290 1414077302 /nfs/dbraw/zinc/07/73/02/1414077302.db2.gz CIYQZMGYUSMKOU-QFIPXVFZSA-N 2 0 380.532 3.299 10 0 GGAERP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123553629 1414772053 /nfs/dbraw/zinc/77/20/53/1414772053.db2.gz BDFZMCHJGHFAEH-KRWDZBQOSA-N 2 0 389.540 3.162 10 0 GGAERP CCCOc1c(Cl)cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000128588825 1416019816 /nfs/dbraw/zinc/01/98/16/1416019816.db2.gz HRJGGYJNUGFEQL-LJQANCHMSA-N 2 0 397.991 3.499 10 0 GGAERP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000136592014 1417330503 /nfs/dbraw/zinc/33/05/03/1417330503.db2.gz HYZDGEDBUMTMAM-OALUTQOASA-N 2 0 386.458 3.485 10 0 GGAERP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)C2Cc3ccccc3C2)CC1 ZINC000141320325 1417532960 /nfs/dbraw/zinc/53/29/60/1417532960.db2.gz GYWZZEBKNZWCBU-UHFFFAOYSA-N 2 0 391.559 3.175 10 0 GGAERP Cc1cc(Br)ccc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000151548770 1418021503 /nfs/dbraw/zinc/02/15/03/1418021503.db2.gz DVVORLDXRWCJKT-UHFFFAOYSA-N 2 0 380.374 3.406 10 0 GGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C[C@@H]1C ZINC000162255534 1424831673 /nfs/dbraw/zinc/83/16/73/1424831673.db2.gz BMFGULABZWNYCV-GUGJDKNPSA-N 2 0 388.552 3.101 10 0 GGAERP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(OC(F)F)c(F)c3)cc2)CC1 ZINC000168094306 1425234994 /nfs/dbraw/zinc/23/49/94/1425234994.db2.gz GNRZOUHMRUUUQR-UHFFFAOYSA-N 2 0 393.453 3.464 10 0 GGAERP CC(C)n1cc(C[NH+]2CCC3(C[N@H+](Cc4ccccc4)C[C@H]3CO)CC2)cn1 ZINC000169789933 1425258707 /nfs/dbraw/zinc/25/87/07/1425258707.db2.gz WSZHMHWZTSMGRR-QFIPXVFZSA-N 2 0 382.552 3.171 10 0 GGAERP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000183368713 1430692063 /nfs/dbraw/zinc/69/20/63/1430692063.db2.gz GDSVSQRCZLDLSS-DEOSSOPVSA-N 2 0 397.563 3.099 10 0 GGAERP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000191393697 1432651034 /nfs/dbraw/zinc/65/10/34/1432651034.db2.gz FNEUVYXGWZCBBE-UHFFFAOYSA-N 2 0 398.517 3.244 10 0 GGAERP c1ccc(CN2CCC([NH2+]CCN3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000236705510 1433376527 /nfs/dbraw/zinc/37/65/27/1433376527.db2.gz JOCWFLAGMOOHEV-UHFFFAOYSA-N 2 0 392.591 3.058 10 0 GGAERP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000237113112 1433389541 /nfs/dbraw/zinc/38/95/41/1433389541.db2.gz FQXXRKRKPGQJJD-RBUKOAKNSA-N 2 0 378.580 3.424 10 0 GGAERP CCNC(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1Cc1cccnc1)[C@@H]23 ZINC000257193644 1433894669 /nfs/dbraw/zinc/89/46/69/1433894669.db2.gz RVKJXYGLJMAVHL-GNXKAVGDSA-N 2 0 384.568 3.063 10 0 GGAERP COc1cc(C[NH+]2CCC3(CC2)CCC(O)(C[NH+](C)C)CC3)cc(OC)c1 ZINC000257195843 1433894866 /nfs/dbraw/zinc/89/48/66/1433894866.db2.gz WZLRSRVPIGNBJP-UHFFFAOYSA-N 2 0 376.541 3.153 10 0 GGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000480500291 1126094896 /nfs/dbraw/zinc/09/48/96/1126094896.db2.gz QMAZNUNFDVAHBH-JOCHJYFZSA-N 2 0 385.527 3.051 10 0 GGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000680121102 1126105552 /nfs/dbraw/zinc/10/55/52/1126105552.db2.gz QYMJUBHYXDSRSS-RTBURBONSA-N 2 0 390.409 3.200 10 0 GGAERP Oc1ccc(C[NH2+]CCC[NH2+]Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000035012326 212161107 /nfs/dbraw/zinc/16/11/07/212161107.db2.gz HUMSZQCAIUEDCY-UHFFFAOYSA-N 2 0 388.471 3.464 10 0 GGAERP CCC[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]Cc3ccccc3)s2)CC1 ZINC000007002136 220982830 /nfs/dbraw/zinc/98/28/30/220982830.db2.gz URNOLOSCOIPYAA-UHFFFAOYSA-N 2 0 396.564 3.151 10 0 GGAERP O[C@@H](COc1ccc(C[NH2+]CCc2ccccc2F)cc1)C[NH+]1CCCCC1 ZINC000011773276 221125286 /nfs/dbraw/zinc/12/52/86/221125286.db2.gz UEPUESIGVKPOIH-OAQYLSRUSA-N 2 0 386.511 3.384 10 0 GGAERP COc1cc(C[NH2+]CC2CCCCC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000011842963 221131875 /nfs/dbraw/zinc/13/18/75/221131875.db2.gz IBUSBMUYBVFMEW-HXUWFJFHSA-N 2 0 376.541 3.201 10 0 GGAERP COCC[NH+]1CCC(C[N@@H+](Cc2cccc(C(C)=O)c2)C[C@H]2CCCO2)CC1 ZINC000011874756 221135180 /nfs/dbraw/zinc/13/51/80/221135180.db2.gz QVOYSPXYZAWJMQ-HSZRJFAPSA-N 2 0 388.552 3.229 10 0 GGAERP C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH+](CC2=CC[C@H]4C[C@@H]2C4(C)C)CC3)CC1 ZINC000012154916 221160769 /nfs/dbraw/zinc/16/07/69/221160769.db2.gz YLQFJIKUFTUGAG-ACRUOGEOSA-N 2 0 385.596 3.245 10 0 GGAERP COc1cc(C[NH2+]CCc2ccc(C)cc2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012459335 221198623 /nfs/dbraw/zinc/19/86/23/221198623.db2.gz JCPZGBWLSBJIBH-QFIPXVFZSA-N 2 0 398.547 3.171 10 0 GGAERP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012771738 221229071 /nfs/dbraw/zinc/22/90/71/221229071.db2.gz JHXREFIVFPATDJ-KRWDZBQOSA-N 2 0 395.503 3.170 10 0 GGAERP OCC[NH2+]CCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000013733307 221285076 /nfs/dbraw/zinc/28/50/76/221285076.db2.gz CWEYPKUJAOLMTO-UHFFFAOYSA-N 2 0 393.325 3.090 10 0 GGAERP COc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)cc1 ZINC000096048057 222374937 /nfs/dbraw/zinc/37/49/37/222374937.db2.gz RISHNLUTQZWKJN-NRFANRHFSA-N 2 0 381.520 3.346 10 0 GGAERP C[N@H+](Cc1ccoc1)Cc1ccc(-c2nc(C3CC[NH2+]CC3)cc(=O)[nH]2)cc1 ZINC000023153476 523476495 /nfs/dbraw/zinc/47/64/95/523476495.db2.gz OBQIAMJAHRUHKA-UHFFFAOYSA-N 2 0 378.476 3.129 10 0 GGAERP COc1c(Br)cc(C[NH2+]CC2CC[NH2+]CC2)cc1Br ZINC000020967588 564308174 /nfs/dbraw/zinc/30/81/74/564308174.db2.gz CBMLASYMQJBCGC-UHFFFAOYSA-N 2 0 392.135 3.309 10 0 GGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2cc(Cl)ccc2Cl)CC1 ZINC000106125966 564979344 /nfs/dbraw/zinc/97/93/44/564979344.db2.gz LPRPUXBSVFBBBU-AWEZNQCLSA-N 2 0 375.340 3.397 10 0 GGAERP C[NH+]1CCC(C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CC1 ZINC000186175881 565244801 /nfs/dbraw/zinc/24/48/01/565244801.db2.gz IBSKIGSHZFYIPE-SFHVURJKSA-N 2 0 375.314 3.260 10 0 GGAERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000187115321 565311201 /nfs/dbraw/zinc/31/12/01/565311201.db2.gz CNJNTRCMHOHESM-JTQLQIEISA-N 2 0 391.151 3.225 10 0 GGAERP Cc1[nH+]c2ccc(Br)cc2c(N2CC[NH+](CCCO)CC2)c1C ZINC000301841486 565513313 /nfs/dbraw/zinc/51/33/13/565513313.db2.gz YYVDORFQDCVSOD-UHFFFAOYSA-N 2 0 378.314 3.119 10 0 GGAERP Clc1ccc(I)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000405345965 565586895 /nfs/dbraw/zinc/58/68/95/565586895.db2.gz QBNZPYCVOGGLEJ-TXEJJXNPSA-N 2 0 390.696 3.376 10 0 GGAERP Brc1cc2c(cc1CN1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000321128703 565604486 /nfs/dbraw/zinc/60/44/86/565604486.db2.gz FKMVFXNPEMQSTJ-CJNGLKHVSA-N 2 0 381.314 3.184 10 0 GGAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000281922454 565756367 /nfs/dbraw/zinc/75/63/67/565756367.db2.gz CWABOLZLBSWSMS-GOSISDBHSA-N 2 0 396.373 3.278 10 0 GGAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178002766 565889411 /nfs/dbraw/zinc/88/94/11/565889411.db2.gz QMVFXOAWBGMTDO-SFHVURJKSA-N 2 0 396.373 3.280 10 0 GGAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000414074315 565892303 /nfs/dbraw/zinc/89/23/03/565892303.db2.gz OALXWNVEKOFHJO-HOTGVXAUSA-N 2 0 384.362 3.244 10 0 GGAERP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000414110731 565896926 /nfs/dbraw/zinc/89/69/26/565896926.db2.gz LUYZPVBUSLDZSN-MRXNPFEDSA-N 2 0 398.389 3.347 10 0 GGAERP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000414110729 565897076 /nfs/dbraw/zinc/89/70/76/565897076.db2.gz LUYZPVBUSLDZSN-INIZCTEOSA-N 2 0 398.389 3.347 10 0 GGAERP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000414206652 565903043 /nfs/dbraw/zinc/90/30/43/565903043.db2.gz YPALLORJGUBPND-HNNXBMFYSA-N 2 0 386.367 3.441 10 0 GGAERP FC1(F)CC[NH2+]C[C@@H]1NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000414992783 565968565 /nfs/dbraw/zinc/96/85/65/565968565.db2.gz BSVPWXAHQOEYBZ-INIZCTEOSA-N 2 0 388.300 3.000 10 0 GGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058532 565972125 /nfs/dbraw/zinc/97/21/25/565972125.db2.gz TYOVQPCTLBPRDJ-NNGSBXSVSA-N 2 0 398.364 3.325 10 0 GGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000179518234 565986415 /nfs/dbraw/zinc/98/64/15/565986415.db2.gz OTCDSFMLXMNBKX-ZDUSSCGKSA-N 2 0 376.875 3.466 10 0 GGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000179518241 565986780 /nfs/dbraw/zinc/98/67/80/565986780.db2.gz OTCDSFMLXMNBKX-CYBMUJFWSA-N 2 0 376.875 3.466 10 0 GGAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000247334023 566058833 /nfs/dbraw/zinc/05/88/33/566058833.db2.gz YXNXEDHLVNIHBJ-YJBOKZPZSA-N 2 0 396.373 3.070 10 0 GGAERP C[C@]([NH3+])(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc(Br)cc1 ZINC000261748200 566132696 /nfs/dbraw/zinc/13/26/96/566132696.db2.gz IVQFHFIGDUWAJI-GOSISDBHSA-N 2 0 392.272 3.047 10 0 GGAERP CN(CC(=O)Nc1ccc(Br)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261958485 566142116 /nfs/dbraw/zinc/14/21/16/566142116.db2.gz OIRRCYPJIUDPFS-FUNVUKJBSA-N 2 0 386.721 3.256 10 0 GGAERP C[C@H](C[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1)N1CC[NH+](C)CC1 ZINC000181702940 566159263 /nfs/dbraw/zinc/15/92/63/566159263.db2.gz SUAPOYCTEKDWAA-KGLIPLIRSA-N 2 0 380.330 3.482 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1Br ZINC000420383549 566275759 /nfs/dbraw/zinc/27/57/59/566275759.db2.gz DJVRCQFSRGPOPF-RHSMWYFYSA-N 2 0 380.330 3.242 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1Br ZINC000420383551 566276337 /nfs/dbraw/zinc/27/63/37/566276337.db2.gz DJVRCQFSRGPOPF-WMLDXEAASA-N 2 0 380.330 3.242 10 0 GGAERP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(Br)c1 ZINC000420397669 566277060 /nfs/dbraw/zinc/27/70/60/566277060.db2.gz MTZHEUDJBWUPTD-RHSMWYFYSA-N 2 0 380.330 3.242 10 0 GGAERP C[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(C)(=O)=O ZINC000575848800 566291858 /nfs/dbraw/zinc/29/18/58/566291858.db2.gz RXKGAIFFHYLOAK-GYISXVGNSA-N 2 0 384.973 3.277 10 0 GGAERP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576346742 566338860 /nfs/dbraw/zinc/33/88/60/566338860.db2.gz OEQXCGVQDWPJJI-IYBDPMFKSA-N 2 0 389.341 3.375 10 0 GGAERP CSC1(C[NH2+]Cc2ncc(Br)cc2Cl)CC[NH+](C)CC1 ZINC000601125103 566391374 /nfs/dbraw/zinc/39/13/74/566391374.db2.gz LOQPVKBLDJABKU-UHFFFAOYSA-N 2 0 378.767 3.415 10 0 GGAERP CC(C)C[C@H]([NH2+][C@@H]1CCc2c1cccc2Br)C(=O)NCC[NH+](C)C ZINC000537446639 566447065 /nfs/dbraw/zinc/44/70/65/566447065.db2.gz SXIUIJGTRQNYQZ-MSOLQXFVSA-N 2 0 396.373 3.119 10 0 GGAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000422921390 566465716 /nfs/dbraw/zinc/46/57/16/566465716.db2.gz PNGLKEGJWOFYDA-SMDDNHRTSA-N 2 0 387.307 3.338 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)NCCC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000627110520 566466651 /nfs/dbraw/zinc/46/66/51/566466651.db2.gz BOGHUKWJPJLVMQ-KRWDZBQOSA-N 2 0 387.355 3.285 10 0 GGAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627116700 566466861 /nfs/dbraw/zinc/46/68/61/566466861.db2.gz PFCOYGXMXDFBRU-CVEARBPZSA-N 2 0 375.344 3.269 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(Cl)c1 ZINC000627126703 566468190 /nfs/dbraw/zinc/46/81/90/566468190.db2.gz JAWCUMYAOIPDDF-CVEARBPZSA-N 2 0 385.339 3.180 10 0 GGAERP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423025473 566469345 /nfs/dbraw/zinc/46/93/45/566469345.db2.gz OJTOXHPNRNXKEE-GXFFZTMASA-N 2 0 381.236 3.325 10 0 GGAERP Clc1ccc(-c2nc(CC[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)cs2)cc1 ZINC000423018020 566469822 /nfs/dbraw/zinc/46/98/22/566469822.db2.gz XXPZHWFIHFQVIO-MSOLQXFVSA-N 2 0 377.941 3.363 10 0 GGAERP Cc1cc(Br)cn2cc(CN[C@H](C)c3ccc(C[NH3+])nc3C)nc12 ZINC000423031778 566469832 /nfs/dbraw/zinc/46/98/32/566469832.db2.gz DOFKYEBHXNCGTF-GFCCVEGCSA-N 2 0 388.313 3.418 10 0 GGAERP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](CCO)c1ccccc1Br ZINC000423026158 566469892 /nfs/dbraw/zinc/46/98/92/566469892.db2.gz ARZPODZQAPBEDE-SCLBCKFNSA-N 2 0 378.314 3.386 10 0 GGAERP CN(CC(C)(C)C[NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627220740 566472296 /nfs/dbraw/zinc/47/22/96/566472296.db2.gz XKTYVRNDVATWDK-HNNXBMFYSA-N 2 0 375.344 3.222 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627220062 566472744 /nfs/dbraw/zinc/47/27/44/566472744.db2.gz KILMHVSVIMXBQS-YOEHRIQHSA-N 2 0 385.339 3.132 10 0 GGAERP COc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723690 566473544 /nfs/dbraw/zinc/47/35/44/566473544.db2.gz RZQCJVNRDADUCA-QGTPRVQTSA-N 2 0 383.330 3.319 10 0 GGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)cc3c2OCC3)C1 ZINC000650723015 566474013 /nfs/dbraw/zinc/47/40/13/566474013.db2.gz GHPRSYSNNNDSDP-FGTMMUONSA-N 2 0 395.341 3.245 10 0 GGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1 ZINC000423102953 566475503 /nfs/dbraw/zinc/47/55/03/566475503.db2.gz FRFYTCBIEJVPLU-QZTJIDSGSA-N 2 0 398.389 3.378 10 0 GGAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1 ZINC000423102954 566475698 /nfs/dbraw/zinc/47/56/98/566475698.db2.gz FRFYTCBIEJVPLU-ROUUACIJSA-N 2 0 398.389 3.378 10 0 GGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1 ZINC000423102952 566475730 /nfs/dbraw/zinc/47/57/30/566475730.db2.gz FRFYTCBIEJVPLU-MSOLQXFVSA-N 2 0 398.389 3.378 10 0 GGAERP COc1ccc(Br)c(CN2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000558481146 566478144 /nfs/dbraw/zinc/47/81/44/566478144.db2.gz BCMHDMFLIXPUCB-UHFFFAOYSA-N 2 0 392.297 3.184 10 0 GGAERP COc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1Br ZINC000423500480 566489743 /nfs/dbraw/zinc/48/97/43/566489743.db2.gz CBRBHZUOBHRVAH-ODIFPOPNSA-N 2 0 396.373 3.325 10 0 GGAERP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423502444 566490581 /nfs/dbraw/zinc/49/05/81/566490581.db2.gz CPJNWCFTSCNAJU-JRSKDTKFSA-N 2 0 396.348 3.382 10 0 GGAERP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)cc1F ZINC000423509785 566491282 /nfs/dbraw/zinc/49/12/82/566491282.db2.gz MRWMNSYCUBQHGC-IUDNXUCKSA-N 2 0 384.337 3.455 10 0 GGAERP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423525077 566492256 /nfs/dbraw/zinc/49/22/56/566492256.db2.gz XUQDAAMRJRHNHF-JFIBYHEFSA-N 2 0 396.348 3.382 10 0 GGAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449218285 566537189 /nfs/dbraw/zinc/53/71/89/566537189.db2.gz GZDDPDPNIZCESJ-QGZVFWFLSA-N 2 0 384.337 3.193 10 0 GGAERP CN1CCN(C(=O)C2CCN(Cc3cc(Cl)sc3Cl)CC2)CC1 ZINC000449325801 566550213 /nfs/dbraw/zinc/55/02/13/566550213.db2.gz PRNIRHIWKQOMAF-UHFFFAOYSA-N 2 0 376.353 3.041 10 0 GGAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000466671256 566590817 /nfs/dbraw/zinc/59/08/17/566590817.db2.gz URECXGPXJLJDEQ-CYBMUJFWSA-N 2 0 388.343 3.268 10 0 GGAERP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000579344174 566600887 /nfs/dbraw/zinc/60/08/87/566600887.db2.gz VEOGPUQFUDINDK-LSDHHAIUSA-N 2 0 375.340 3.301 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000628969841 566601935 /nfs/dbraw/zinc/60/19/35/566601935.db2.gz ZNEPRKYFVZPFQN-BBRMVZONSA-N 2 0 390.380 3.150 10 0 GGAERP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000579354350 566602606 /nfs/dbraw/zinc/60/26/06/566602606.db2.gz VLQCCVNVGHHPIK-IYBDPMFKSA-N 2 0 397.357 3.296 10 0 GGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOc2cccc(Br)c2)C1 ZINC000652364143 566605412 /nfs/dbraw/zinc/60/54/12/566605412.db2.gz ZLIWHSJKHZQOTR-NXHRZFHOSA-N 2 0 383.330 3.189 10 0 GGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOc2cccc(Br)c2)C1 ZINC000652364141 566605773 /nfs/dbraw/zinc/60/57/73/566605773.db2.gz ZLIWHSJKHZQOTR-KBAYOESNSA-N 2 0 383.330 3.189 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@@H]2CCC[C@@H]21 ZINC000513713694 566619424 /nfs/dbraw/zinc/61/94/24/566619424.db2.gz RWONHAOKMPEPNJ-BPUTZDHNSA-N 2 0 381.314 3.183 10 0 GGAERP Brc1ccc(S[C@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000629547209 566663466 /nfs/dbraw/zinc/66/34/66/566663466.db2.gz FIZXSXSBCFUQOB-HOCLYGCPSA-N 2 0 383.355 3.137 10 0 GGAERP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000629581684 566667152 /nfs/dbraw/zinc/66/71/52/566667152.db2.gz FVHQVFWJBQBYPM-YPMHNXCESA-N 2 0 379.302 3.404 10 0 GGAERP C[NH2+]CCOCC[N@H+](C)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000629655570 566677014 /nfs/dbraw/zinc/67/70/14/566677014.db2.gz ZXKCIXMZRZSHLF-UHFFFAOYSA-N 2 0 384.343 3.240 10 0 GGAERP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCOCCC[NH3+] ZINC000629680413 566678922 /nfs/dbraw/zinc/67/89/22/566678922.db2.gz PQWBLCBFMLASAX-UHFFFAOYSA-N 2 0 395.345 3.213 10 0 GGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000676703705 566704755 /nfs/dbraw/zinc/70/47/55/566704755.db2.gz TYVBBHIGBDQXJD-DEYYWGMASA-N 2 0 375.340 3.395 10 0 GGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000676703707 566705041 /nfs/dbraw/zinc/70/50/41/566705041.db2.gz TYVBBHIGBDQXJD-IYOUNJFTSA-N 2 0 375.340 3.395 10 0 GGAERP Brc1ccc(-c2nccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000517030053 566800899 /nfs/dbraw/zinc/80/08/99/566800899.db2.gz INMMIEITPISBEG-IYBDPMFKSA-N 2 0 387.325 3.338 10 0 GGAERP C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)cn1 ZINC000582235390 566842438 /nfs/dbraw/zinc/84/24/38/566842438.db2.gz CHCAZGJYGOHDJD-WBHUJUFNSA-N 2 0 389.297 3.146 10 0 GGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000655827326 566854051 /nfs/dbraw/zinc/85/40/51/566854051.db2.gz RXAAXVMMVFDIBE-JGZJWPJOSA-N 2 0 377.124 3.036 10 0 GGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000543237495 566864962 /nfs/dbraw/zinc/86/49/62/566864962.db2.gz DATVERCEWUWGRY-UHFFFAOYSA-N 2 0 378.263 3.446 10 0 GGAERP CSC1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC[NH+](C)CC1 ZINC000518520641 566888501 /nfs/dbraw/zinc/88/85/01/566888501.db2.gz XYXJZUHHGXBOQP-CYBMUJFWSA-N 2 0 393.380 3.150 10 0 GGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000656268543 566897039 /nfs/dbraw/zinc/89/70/39/566897039.db2.gz FFZUBOQILVDFIN-WVSHTKLVSA-N 2 0 391.151 3.224 10 0 GGAERP FC(F)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000563624547 566901733 /nfs/dbraw/zinc/90/17/33/566901733.db2.gz MQODRWAYBSZJAV-BETUJISGSA-N 2 0 375.257 3.482 10 0 GGAERP Brc1ccc2ncc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2c1 ZINC000656785192 566950317 /nfs/dbraw/zinc/95/03/17/566950317.db2.gz KJUHQBINMUAETG-OAHLLOKOSA-N 2 0 377.330 3.308 10 0 GGAERP Brc1ccccc1N1CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657357133 567052593 /nfs/dbraw/zinc/05/25/93/567052593.db2.gz RBTSHWAUKQPLCD-OAHLLOKOSA-N 2 0 398.308 3.398 10 0 GGAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000453089468 567053072 /nfs/dbraw/zinc/05/30/72/567053072.db2.gz BBPFIPZJLJKTMV-QGZVFWFLSA-N 2 0 384.337 3.193 10 0 GGAERP COc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(Br)c1 ZINC000657537818 567067730 /nfs/dbraw/zinc/06/77/30/567067730.db2.gz UHSHYERUJDVFBF-UHFFFAOYSA-N 2 0 397.357 3.438 10 0 GGAERP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cnc3c(C)cc(Br)cn23)C1 ZINC000657577076 567072966 /nfs/dbraw/zinc/07/29/66/567072966.db2.gz OKXCFHTUWLRGGA-KBRIMQKVSA-N 2 0 396.329 3.061 10 0 GGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(Br)c3)cc2)C1 ZINC000657593345 567074441 /nfs/dbraw/zinc/07/44/41/567074441.db2.gz GBOOFHLIIQENHL-IBGZPJMESA-N 2 0 375.310 3.306 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)[C@H]2CCC[C@H]21 ZINC000453337213 567076123 /nfs/dbraw/zinc/07/61/23/567076123.db2.gz ASGAZJVNAXVXEL-VVWQDTPRSA-N 2 0 399.348 3.202 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)[C@@H]2CCC[C@@H]21 ZINC000453367417 567080113 /nfs/dbraw/zinc/08/01/13/567080113.db2.gz MMFZCPKHVCFETQ-JXIYXGQPSA-N 2 0 399.348 3.202 10 0 GGAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000565946085 567113010 /nfs/dbraw/zinc/11/30/10/567113010.db2.gz FRSBNQPJFDWTQU-HNNXBMFYSA-N 2 0 375.340 3.445 10 0 GGAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cn1 ZINC000658070471 567118915 /nfs/dbraw/zinc/11/89/15/567118915.db2.gz PDMHTWYMQNSGMZ-CQSZACIVSA-N 2 0 382.346 3.386 10 0 GGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)cn1 ZINC000658141085 567123650 /nfs/dbraw/zinc/12/36/50/567123650.db2.gz WEWNCWNWZSWAHK-KBXCAEBGSA-N 2 0 390.325 3.262 10 0 GGAERP CN1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638838392 567274351 /nfs/dbraw/zinc/27/43/51/567274351.db2.gz HVKLIPRAHZADJM-RTBURBONSA-N 2 0 378.358 3.436 10 0 GGAERP CC[C@H]1C[N@H+](CCCOc2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000592427602 567337988 /nfs/dbraw/zinc/33/79/88/567337988.db2.gz HAJIJCRIPVPUOU-BBRMVZONSA-N 2 0 388.293 3.119 10 0 GGAERP C[NH+](C)CCNC(=O)c1cccc(CNCc2ccsc2Br)c1 ZINC000527653619 567356907 /nfs/dbraw/zinc/35/69/07/567356907.db2.gz NUZSATNZAGVSIY-UHFFFAOYSA-N 2 0 396.354 3.092 10 0 GGAERP C[NH+]1CCC(C[NH2+]Cc2ncc(Br)cc2F)(N2CCCCC2)CC1 ZINC000527668736 567358111 /nfs/dbraw/zinc/35/81/11/567358111.db2.gz UALWGQOTHIYJRW-UHFFFAOYSA-N 2 0 399.352 3.023 10 0 GGAERP COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255199 567422484 /nfs/dbraw/zinc/42/24/84/567422484.db2.gz BCPVBNADHVJMPG-GDBMZVCRSA-N 2 0 381.314 3.116 10 0 GGAERP [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ncc(Br)cc2Cl)CC1 ZINC000662284315 567424489 /nfs/dbraw/zinc/42/44/89/567424489.db2.gz XDLLQYUWFJXADL-ZBFHGGJFSA-N 2 0 388.737 3.216 10 0 GGAERP Brc1cccc(C[C@@H]2CCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662282068 567424655 /nfs/dbraw/zinc/42/46/55/567424655.db2.gz CQJRHOIGLNQJJG-ROUUACIJSA-N 2 0 379.342 3.367 10 0 GGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ncc(Br)cc3Cl)C2)C1 ZINC000662285443 567424740 /nfs/dbraw/zinc/42/47/40/567424740.db2.gz JUCZOFWOBXUJRG-NORZTCDRSA-N 2 0 388.737 3.216 10 0 GGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ncc(Br)cc3Cl)C2)C1 ZINC000662285439 567424754 /nfs/dbraw/zinc/42/47/54/567424754.db2.gz JUCZOFWOBXUJRG-GHJWDPDVSA-N 2 0 388.737 3.216 10 0 GGAERP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297565 567426038 /nfs/dbraw/zinc/42/60/38/567426038.db2.gz RHFPBSZPEYDBJX-MRXNPFEDSA-N 2 0 394.357 3.408 10 0 GGAERP COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323563 567427685 /nfs/dbraw/zinc/42/76/85/567427685.db2.gz NMJODCMXVMAKTL-SFHVURJKSA-N 2 0 399.373 3.433 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000550887800 567467790 /nfs/dbraw/zinc/46/77/90/567467790.db2.gz UCJNCECZECATLO-IXDOHACOSA-N 2 0 398.389 3.347 10 0 GGAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000550890858 567468418 /nfs/dbraw/zinc/46/84/18/567468418.db2.gz IUIBUHSGYXENFS-JKSUJKDBSA-N 2 0 384.362 3.101 10 0 GGAERP C[NH+](C)C[C@H](NC(=O)N1CCC(CC[NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000529390591 567511046 /nfs/dbraw/zinc/51/10/46/567511046.db2.gz YYZYOJHFGRSOSY-KRWDZBQOSA-N 2 0 387.355 3.367 10 0 GGAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000529388653 567511354 /nfs/dbraw/zinc/51/13/54/567511354.db2.gz SODCISDACCZEJH-JDFRZJQESA-N 2 0 387.355 3.365 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@H](C)c2cccc(Br)c2)CC1 ZINC000663503492 567512066 /nfs/dbraw/zinc/51/20/66/567512066.db2.gz JTAXLGKINGWFAC-HNNXBMFYSA-N 2 0 396.373 3.133 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@@H]2CCC[C@H]21 ZINC000552049116 567553623 /nfs/dbraw/zinc/55/36/23/567553623.db2.gz LTQSQZPIEKZSAM-OKZBNKHCSA-N 2 0 394.357 3.031 10 0 GGAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644533251 567556870 /nfs/dbraw/zinc/55/68/70/567556870.db2.gz LXDRJFHNIBGDLN-HNNXBMFYSA-N 2 0 375.340 3.445 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000552248897 567570720 /nfs/dbraw/zinc/57/07/20/567570720.db2.gz WMUJALDOXQLXRG-YSHGAJCASA-N 2 0 378.358 3.490 10 0 GGAERP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)nc12 ZINC000552283461 567573268 /nfs/dbraw/zinc/57/32/68/567573268.db2.gz DPSFTJIXWQPNTL-KZNAEPCWSA-N 2 0 391.357 3.410 10 0 GGAERP O[C@@H]1CC[N@@H+](C2CCN(c3ccnc4cc(F)c(Br)cc43)CC2)C1 ZINC000664597944 567577409 /nfs/dbraw/zinc/57/74/09/567577409.db2.gz RFCNOJYWUPYUKN-CYBMUJFWSA-N 2 0 394.288 3.172 10 0 GGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc(Br)cn1 ZINC000552340005 567579362 /nfs/dbraw/zinc/57/93/62/567579362.db2.gz ITCMHOSIQCEJMP-QAPCUYQASA-N 2 0 377.330 3.146 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000665285439 567615514 /nfs/dbraw/zinc/61/55/14/567615514.db2.gz MPXWVHGMPBPZRA-AWEZNQCLSA-N 2 0 382.346 3.090 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000665285737 567615622 /nfs/dbraw/zinc/61/56/22/567615622.db2.gz VIYUWWSBYKFUFG-LBPRGKRZSA-N 2 0 388.375 3.152 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000665287805 567615885 /nfs/dbraw/zinc/61/58/85/567615885.db2.gz VDRKQXBZKYSYCL-KRWDZBQOSA-N 2 0 381.973 3.457 10 0 GGAERP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cccc(Br)c1 ZINC000665285068 567615896 /nfs/dbraw/zinc/61/58/96/567615896.db2.gz BTZIIIFZOKRPTQ-GOSISDBHSA-N 2 0 396.373 3.480 10 0 GGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000665289841 567617502 /nfs/dbraw/zinc/61/75/02/567617502.db2.gz YPBRFAFTIHSUHZ-GOSISDBHSA-N 2 0 394.357 3.017 10 0 GGAERP Ic1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000596655312 567646685 /nfs/dbraw/zinc/64/66/85/567646685.db2.gz UUWAGKBAJMDVPS-BRWVUGGUSA-N 2 0 384.305 3.344 10 0 GGAERP Ic1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000596655314 567646960 /nfs/dbraw/zinc/64/69/60/567646960.db2.gz UUWAGKBAJMDVPS-ZACQAIPSSA-N 2 0 384.305 3.344 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1(C)C ZINC000623392528 567706386 /nfs/dbraw/zinc/70/63/86/567706386.db2.gz GVUXMOQBUUVEQU-INIZCTEOSA-N 2 0 382.346 3.031 10 0 GGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541802 567720425 /nfs/dbraw/zinc/72/04/25/567720425.db2.gz YQKDOESWHFJELP-CJNGLKHVSA-N 2 0 387.337 3.202 10 0 GGAERP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541406 567720858 /nfs/dbraw/zinc/72/08/58/567720858.db2.gz HYXJNBMQWVENKH-HOTGVXAUSA-N 2 0 399.373 3.071 10 0 GGAERP Cc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)ncc1Br ZINC000623562602 567722002 /nfs/dbraw/zinc/72/20/02/567722002.db2.gz WOVRQNZENZGKOO-UHFFFAOYSA-N 2 0 382.346 3.133 10 0 GGAERP CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000667079044 567722499 /nfs/dbraw/zinc/72/24/99/567722499.db2.gz LXDYPURBGMPKFT-UHFFFAOYSA-N 2 0 380.842 3.364 10 0 GGAERP COc1ncc(Br)cc1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000624132808 567762254 /nfs/dbraw/zinc/76/22/54/567762254.db2.gz AGHGSBGRYBOBLX-UHFFFAOYSA-N 2 0 391.313 3.002 10 0 GGAERP C[NH+](C)C[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000624192186 567766968 /nfs/dbraw/zinc/76/69/68/567766968.db2.gz NRDSTDAHPXTROD-LPHOPBHVSA-N 2 0 386.367 3.439 10 0 GGAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000574251698 567767127 /nfs/dbraw/zinc/76/71/27/567767127.db2.gz YRXAYDOKHICWOB-INIZCTEOSA-N 2 0 395.389 3.445 10 0 GGAERP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1 ZINC000647901814 567805725 /nfs/dbraw/zinc/80/57/25/567805725.db2.gz VVFAOLQFLJAJQT-WMLDXEAASA-N 2 0 380.330 3.242 10 0 GGAERP C[NH+](C)C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000032779414 570807742 /nfs/dbraw/zinc/80/77/42/570807742.db2.gz PDSAYRGGCMGBTH-JOCHJYFZSA-N 2 0 380.536 3.253 10 0 GGAERP CC(C)[NH+]1CCC(N(CC[NH+](C)C)C(=S)Nc2cc(F)cc(F)c2)CC1 ZINC000004712059 570857986 /nfs/dbraw/zinc/85/79/86/570857986.db2.gz UBCAJDFOOQGUEM-UHFFFAOYSA-N 2 0 384.540 3.398 10 0 GGAERP Cc1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc(N2CC[NH+](C)CC2)c1 ZINC000252490712 570971618 /nfs/dbraw/zinc/97/16/18/570971618.db2.gz KZMCINIAJXZFDC-UHFFFAOYSA-N 2 0 399.583 3.275 10 0 GGAERP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc(N2CC[NH+](C)CC2)c1 ZINC000252495564 570975191 /nfs/dbraw/zinc/97/51/91/570975191.db2.gz OTRIQIZUEWQZBC-HXUWFJFHSA-N 2 0 399.583 3.133 10 0 GGAERP C[NH+](C)CCNC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547710 571029933 /nfs/dbraw/zinc/02/99/33/571029933.db2.gz VGSJACATIJMKMR-UHFFFAOYSA-N 2 0 379.548 3.433 10 0 GGAERP c1cc(C[NH2+]CCC[NH+]2CCCCCC2)n(-c2nnc(N3CCCC3)s2)c1 ZINC000020576552 1399349463 /nfs/dbraw/zinc/34/94/63/1399349463.db2.gz SLFGZFSOQDVOEW-UHFFFAOYSA-N 2 0 388.585 3.285 10 0 GGAERP COc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc(Cl)c1OC ZINC000051189738 1405740676 /nfs/dbraw/zinc/74/06/76/1405740676.db2.gz AVAWBDTWKXRVFE-UHFFFAOYSA-N 2 0 381.948 3.005 10 0 GGAERP COc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1Br ZINC000051189749 1405740969 /nfs/dbraw/zinc/74/09/69/1405740969.db2.gz HOUYYNSBCIGUHT-UHFFFAOYSA-N 2 0 396.373 3.106 10 0 GGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000067121478 1409013426 /nfs/dbraw/zinc/01/34/26/1409013426.db2.gz HFUZMTXZZAMOEI-AWEZNQCLSA-N 2 0 375.891 3.305 10 0 GGAERP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)c2ccccc2)CC1 ZINC000069171028 1409580179 /nfs/dbraw/zinc/58/01/79/1409580179.db2.gz BEUCWCMHMFWGNI-HXUWFJFHSA-N 2 0 375.463 3.366 10 0 GGAERP C[NH+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000069673730 1409672872 /nfs/dbraw/zinc/67/28/72/1409672872.db2.gz FNNKDYPIWSQHHR-UHFFFAOYSA-N 2 0 378.476 3.199 10 0 GGAERP Cc1ccc([C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)N2CCOCC2)cc1 ZINC000069783853 1409698842 /nfs/dbraw/zinc/69/88/42/1409698842.db2.gz AJDASYUSVVQKHB-DEOSSOPVSA-N 2 0 397.563 3.099 10 0 GGAERP COc1ccc2ccccc2c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000075759688 1409882645 /nfs/dbraw/zinc/88/26/45/1409882645.db2.gz DBTYTZZGXYDTMO-UHFFFAOYSA-N 2 0 376.504 3.285 10 0 GGAERP C[NH+]1CCN(c2cc(C[NH2+]Cc3cccc(OC4CCCC4)c3)ccn2)CC1 ZINC000077506917 1409896775 /nfs/dbraw/zinc/89/67/75/1409896775.db2.gz GPVVQVDQLRDKTR-UHFFFAOYSA-N 2 0 380.536 3.445 10 0 GGAERP CCOc1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc(Cl)c1OC ZINC000078891701 1409940838 /nfs/dbraw/zinc/94/08/38/1409940838.db2.gz GYDGRQACBNXHJE-GOSISDBHSA-N 2 0 383.964 3.109 10 0 GGAERP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1)CC(C)C ZINC000095459632 1410312012 /nfs/dbraw/zinc/31/20/12/1410312012.db2.gz ILFRHZAUNRJZFD-QFIPXVFZSA-N 2 0 393.616 3.236 10 0 GGAERP COc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc(OC)c1 ZINC000105463186 1411069155 /nfs/dbraw/zinc/06/91/55/1411069155.db2.gz CVUHPTHYCCJZGJ-INIZCTEOSA-N 2 0 387.499 3.446 10 0 GGAERP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000120652408 1413866460 /nfs/dbraw/zinc/86/64/60/1413866460.db2.gz DRUBJKQRKZGBCO-UWJYYQICSA-N 2 0 382.504 3.093 10 0 GGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000122152473 1414375050 /nfs/dbraw/zinc/37/50/50/1414375050.db2.gz CDESZMWORQDXOV-RBUKOAKNSA-N 2 0 377.529 3.162 10 0 GGAERP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000125016785 1415092471 /nfs/dbraw/zinc/09/24/71/1415092471.db2.gz HBTVEBIGHQHJMH-UHFFFAOYSA-N 2 0 377.330 3.375 10 0 GGAERP Cc1ccc(-c2ncc(C[NH2+]Cc3ccnc(N4CC[NH+](C)CC4)c3)s2)o1 ZINC000125555423 1415225859 /nfs/dbraw/zinc/22/58/59/1415225859.db2.gz AHHSCLYEQWXPCU-UHFFFAOYSA-N 2 0 383.521 3.148 10 0 GGAERP CC(C)[C@@H](C[NH2+]Cc1ccc(Cl)cc1Br)N1CC[NH+](C)CC1 ZINC000126406762 1415441857 /nfs/dbraw/zinc/44/18/57/1415441857.db2.gz DVSCDLZRTQJXPN-QGZVFWFLSA-N 2 0 388.781 3.464 10 0 GGAERP O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000134566700 1417088454 /nfs/dbraw/zinc/08/84/54/1417088454.db2.gz HCZUJJYHWYIJEY-NRFANRHFSA-N 2 0 385.552 3.042 10 0 GGAERP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000136592083 1417330583 /nfs/dbraw/zinc/33/05/83/1417330583.db2.gz HYZDGEDBUMTMAM-RBUKOAKNSA-N 2 0 386.458 3.485 10 0 GGAERP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc(OC)c(OC)c1Cl)CC2 ZINC000169789854 1425257657 /nfs/dbraw/zinc/25/76/57/1425257657.db2.gz IWXCUCYYTMWRPK-INIZCTEOSA-N 2 0 382.932 3.147 10 0 GGAERP COc1ccc(C[C@@H](C)C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1F ZINC000187234356 1431659424 /nfs/dbraw/zinc/65/94/24/1431659424.db2.gz AIKLGQKDZUYZLC-QGZVFWFLSA-N 2 0 377.548 3.161 10 0 GGAERP COc1ccc(C[C@H](C)C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1F ZINC000187234339 1431659789 /nfs/dbraw/zinc/65/97/89/1431659789.db2.gz AIKLGQKDZUYZLC-KRWDZBQOSA-N 2 0 377.548 3.161 10 0 GGAERP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)cc2)CC1 ZINC000236721310 1433377075 /nfs/dbraw/zinc/37/70/75/1433377075.db2.gz GATKSIYVFCYABE-QHCPKHFHSA-N 2 0 377.532 3.249 10 0 GGAERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000237523394 1433407997 /nfs/dbraw/zinc/40/79/97/1433407997.db2.gz GZHBIIYGLBWPJD-JPYJTQIMSA-N 2 0 377.532 3.249 10 0 GGAERP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccc(F)cc1 ZINC000245686841 1433499404 /nfs/dbraw/zinc/49/94/04/1433499404.db2.gz JREBFTMWWGENCC-CIAFKFPVSA-N 2 0 384.495 3.351 10 0 GGAERP CN(C(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)[C@H]1CCCc2ccccc21 ZINC000246126504 1433571975 /nfs/dbraw/zinc/57/19/75/1433571975.db2.gz LVLBREYSOIIBJK-RXVVDRJESA-N 2 0 378.520 3.351 10 0 GGAERP COCc1nnc([C@H]2C[N@H+](Cc3cccc(Cl)c3)CC23CC[NH+](C)CC3)o1 ZINC000257178315 1433893551 /nfs/dbraw/zinc/89/35/51/1433893551.db2.gz ZWSGISQQUHGSAZ-QGZVFWFLSA-N 2 0 390.915 3.181 10 0 GGAERP CC(=O)N1CCC([N@H+]2Cc3ccccc3OC3(CC[NH+](C(C)C)CC3)C2)CC1 ZINC000257188167 1433894358 /nfs/dbraw/zinc/89/43/58/1433894358.db2.gz MLZPXMQKXDYRHC-UHFFFAOYSA-N 2 0 385.552 3.135 10 0 GGAERP C[N@@H+](Cc1ccncc1)C[C@@H]1CCC2(CC[NH+](Cc3ccc(O)cc3)CC2)O1 ZINC000257192174 1433894712 /nfs/dbraw/zinc/89/47/12/1433894712.db2.gz STGKBXWLYPJFOO-QFIPXVFZSA-N 2 0 381.520 3.433 10 0 GGAERP CC(C)NC(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1Cc1cccnc1)[C@@H]23 ZINC000257196331 1433894952 /nfs/dbraw/zinc/89/49/52/1433894952.db2.gz YANBSXAJWDYKDZ-NXYDZRKXSA-N 2 0 398.595 3.451 10 0 GGAERP c1ccc(C[N@@H+]2CC[C@@H](c3nnc4n3CC[NH+](Cc3ccccc3)CC4)C2)cc1 ZINC000257196970 1433895074 /nfs/dbraw/zinc/89/50/74/1433895074.db2.gz ZFHBGXQCSLGAQK-JOCHJYFZSA-N 2 0 387.531 3.326 10 0 GGAERP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1OC ZINC000280795744 1435722107 /nfs/dbraw/zinc/72/21/07/1435722107.db2.gz GWEZKQDEQONEKZ-QZTJIDSGSA-N 2 0 389.584 3.344 10 0 GGAERP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1OC ZINC000280795747 1435722203 /nfs/dbraw/zinc/72/22/03/1435722203.db2.gz GWEZKQDEQONEKZ-ZWKOTPCHSA-N 2 0 389.584 3.344 10 0 GGAERP