smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)cc2[nH]ccc21 ZINC001164812324 720233292 /nfs/dbraw/zinc/23/32/92/720233292.db2.gz FNUQCYVIVCFSCP-UHFFFAOYSA-N 2 0 380.496 2.679 20 0 GFADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)[C@H]2C ZINC001164863581 720989739 /nfs/dbraw/zinc/98/97/39/720989739.db2.gz WVNWCTNZNYQMDJ-KRWDZBQOSA-N 3 0 397.571 2.627 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164887733 721417149 /nfs/dbraw/zinc/41/71/49/721417149.db2.gz MUKLLAXXUNJTBB-RBBKRZOGSA-N 2 0 388.556 2.634 20 0 GFADRP Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C[NH3+])c1 ZINC001164908356 721719652 /nfs/dbraw/zinc/71/96/52/721719652.db2.gz XGBBIDYJCWRXDH-FQEVSTJZSA-N 2 0 387.478 2.981 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164980458 722124242 /nfs/dbraw/zinc/12/42/42/722124242.db2.gz RFBIYJFBUUSJHX-RXVVDRJESA-N 2 0 377.492 2.994 20 0 GFADRP CN1c2ccccc2[C@]2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)C1=O ZINC001164978399 722162856 /nfs/dbraw/zinc/16/28/56/722162856.db2.gz HPTHLTOZSNGNDC-HSZRJFAPSA-N 2 0 392.503 2.679 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000127482806 551341645 /nfs/dbraw/zinc/34/16/45/551341645.db2.gz CAHVDTMWQVVFKG-RHSMWYFYSA-N 2 0 382.346 2.888 20 0 GFADRP O=C(NCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000166426926 551631814 /nfs/dbraw/zinc/63/18/14/551631814.db2.gz DXHPXNCNRSUJDX-DLBZAZTESA-N 2 0 380.330 2.785 20 0 GFADRP C[NH+]1CCC(C[NH2+]Cc2cncc(Br)c2)(N2CCCCC2)CC1 ZINC000183721833 552318254 /nfs/dbraw/zinc/31/82/54/552318254.db2.gz HACLBPQCIKNLKR-UHFFFAOYSA-N 2 0 381.362 2.884 20 0 GFADRP CCN1CC[NH+](CCCC[NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000187121910 552407058 /nfs/dbraw/zinc/40/70/58/552407058.db2.gz UOQRSIZDAVQNCI-UHFFFAOYSA-N 2 0 384.362 2.965 20 0 GFADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000192716190 552972219 /nfs/dbraw/zinc/97/22/19/552972219.db2.gz KZYBKVDJLPQSJX-UHFFFAOYSA-N 2 0 385.021 2.935 20 0 GFADRP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261899980 553162284 /nfs/dbraw/zinc/16/22/84/553162284.db2.gz OSRGCALGYKZWRO-WBVHZDCISA-N 2 0 380.330 2.529 20 0 GFADRP CC(C)[C@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418419933 563217287 /nfs/dbraw/zinc/21/72/87/563217287.db2.gz ZTTAYHVKXGYSPM-MRXNPFEDSA-N 2 0 385.350 2.506 20 0 GFADRP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000418597963 563220622 /nfs/dbraw/zinc/22/06/22/563220622.db2.gz IDTIYPGFTIVMSK-YOEHRIQHSA-N 2 0 397.361 2.663 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418787397 563226049 /nfs/dbraw/zinc/22/60/49/563226049.db2.gz JQSORZULUWSIMN-WBVHZDCISA-N 2 0 397.361 2.650 20 0 GFADRP CC(C)[NH+](CCC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)C(C)C ZINC000370661922 563251624 /nfs/dbraw/zinc/25/16/24/563251624.db2.gz ICNUGXAETWYFRZ-UHFFFAOYSA-N 2 0 387.615 3.000 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(F)cc(Br)c2)CC[NH2+]CC1 ZINC000422731678 563348420 /nfs/dbraw/zinc/34/84/20/563348420.db2.gz MDIXFTMOCFPGQS-LBPRGKRZSA-N 2 0 387.293 2.999 20 0 GFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000422696780 563348598 /nfs/dbraw/zinc/34/85/98/563348598.db2.gz SLBPQCLQDBOUFX-LLVKDONJSA-N 2 0 377.286 2.901 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422842662 563350171 /nfs/dbraw/zinc/35/01/71/563350171.db2.gz YUJSXJWJSZETIA-YALNPMBYSA-N 2 0 383.330 2.963 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423151484 563356792 /nfs/dbraw/zinc/35/67/92/563356792.db2.gz DIPPVJFHZKFCGF-XKQJLSEDSA-N 2 0 385.346 2.858 20 0 GFADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCN1CC[NH2+]CC1 ZINC000423209811 563358713 /nfs/dbraw/zinc/35/87/13/563358713.db2.gz VULPHSALDOKSMU-QGZVFWFLSA-N 2 0 377.330 2.803 20 0 GFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423388594 563360231 /nfs/dbraw/zinc/36/02/31/563360231.db2.gz MZHOWUNGKDZDQO-GDBMZVCRSA-N 2 0 375.460 2.658 20 0 GFADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N(C)Cc1ccccc1Br)CC[NH2+]CC2 ZINC000424291357 563376135 /nfs/dbraw/zinc/37/61/35/563376135.db2.gz NQCUKCZVVUUAAG-HNNXBMFYSA-N 2 0 394.357 2.872 20 0 GFADRP CCC[N@H+](C)CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425097235 563404122 /nfs/dbraw/zinc/40/41/22/563404122.db2.gz HJIJADLWNKIKAS-UHFFFAOYSA-N 2 0 385.350 2.727 20 0 GFADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000430950754 563550703 /nfs/dbraw/zinc/55/07/03/563550703.db2.gz SCKAKJBJLPSRLX-CQSZACIVSA-N 2 0 382.346 2.727 20 0 GFADRP [NH3+]CCCOC1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000435393635 563648854 /nfs/dbraw/zinc/64/88/54/563648854.db2.gz KHQDSOVMCQKHRW-UHFFFAOYSA-N 2 0 384.311 2.904 20 0 GFADRP C[C@H]1c2cccc(Br)c2CC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414741793 563751699 /nfs/dbraw/zinc/75/16/99/563751699.db2.gz FSFFAFCOJNMEHJ-UONOGXRCSA-N 2 0 380.330 2.566 20 0 GFADRP C[C@@H](C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739673 563751739 /nfs/dbraw/zinc/75/17/39/563751739.db2.gz JDDWAUFMPMFTNV-UONOGXRCSA-N 2 0 388.339 2.890 20 0 GFADRP Brc1cccc(-c2nc(C[NH2+]CCCN3CC[NH2+]CC3)cs2)c1 ZINC000414786549 563752973 /nfs/dbraw/zinc/75/29/73/563752973.db2.gz XCTNMEZKXOTSOR-UHFFFAOYSA-N 2 0 395.370 2.958 20 0 GFADRP Cc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(Br)c1 ZINC000414970666 563755213 /nfs/dbraw/zinc/75/52/13/563755213.db2.gz HPLHZGLOJVZWHA-AWEZNQCLSA-N 2 0 380.252 2.683 20 0 GFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000367247369 563837917 /nfs/dbraw/zinc/83/79/17/563837917.db2.gz URGDHXJIPHCFJR-UTRMSSBJSA-N 2 0 397.357 2.962 20 0 GFADRP Brc1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc2c1OCCCO2 ZINC000368082096 563863464 /nfs/dbraw/zinc/86/34/64/563863464.db2.gz RPWABNHVQDUMPC-LBPRGKRZSA-N 2 0 378.270 2.981 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449126844 563907027 /nfs/dbraw/zinc/90/70/27/563907027.db2.gz VYEWWXFISMDKKQ-CQSZACIVSA-N 2 0 377.330 2.723 20 0 GFADRP [NH3+]Cc1cn([C@H]2CCCN(Cc3cc(Br)cc(F)c3F)C2)nn1 ZINC000568401155 564417663 /nfs/dbraw/zinc/41/76/63/564417663.db2.gz FBEOPUXVCRCGLH-ZDUSSCGKSA-N 2 0 386.244 2.615 20 0 GFADRP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000569363996 564461295 /nfs/dbraw/zinc/46/12/95/564461295.db2.gz VHYZXJJEBOFSDK-WMLDXEAASA-N 2 0 394.357 2.948 20 0 GFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752936 564608772 /nfs/dbraw/zinc/60/87/72/564608772.db2.gz PAJUVOREHAHMHE-GDBMZVCRSA-N 2 0 391.339 2.824 20 0 GFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(I)c2)CCCO1 ZINC000573227736 564629014 /nfs/dbraw/zinc/62/90/14/564629014.db2.gz VVKWYTXLEQNPLK-CQSZACIVSA-N 2 0 388.293 2.882 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)[C@@H](C)C1 ZINC000490404408 564770012 /nfs/dbraw/zinc/77/00/12/564770012.db2.gz RFMFIHCZGUOHPW-RDJZCZTQSA-N 2 0 387.366 2.762 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000529386361 564833347 /nfs/dbraw/zinc/83/33/47/564833347.db2.gz MXXRSVRUSIXMCP-JQFCIGGWSA-N 2 0 385.339 2.990 20 0 GFADRP Brc1ccc(OCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530236982 564872929 /nfs/dbraw/zinc/87/29/29/564872929.db2.gz AUWNFGGHWMKAGV-GOSISDBHSA-N 2 0 383.330 2.918 20 0 GFADRP Cc1cc(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1Br ZINC000530718734 564893270 /nfs/dbraw/zinc/89/32/70/564893270.db2.gz KZQPPIKGYJKWCR-UHFFFAOYSA-N 2 0 384.362 2.642 20 0 GFADRP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Br)cc1F ZINC000583499817 564894790 /nfs/dbraw/zinc/89/47/90/564894790.db2.gz AXPDTPNGFIKYAT-BETUJISGSA-N 2 0 384.293 2.848 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000531357971 564907773 /nfs/dbraw/zinc/90/77/73/564907773.db2.gz XKAKFZUQAHMMCX-SJORKVTESA-N 2 0 382.346 2.504 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Br)cc2)C[C@H]1C ZINC000531381811 564908716 /nfs/dbraw/zinc/90/87/16/564908716.db2.gz BGARLSIFCAOAGX-PVAVHDDUSA-N 2 0 385.346 2.993 20 0 GFADRP CN(CCC[N@H+](C)Cc1cccc(I)c1)CC[NH+](C)C ZINC000584199308 564925376 /nfs/dbraw/zinc/92/53/76/564925376.db2.gz ASUCIHQHYQGDBR-UHFFFAOYSA-N 2 0 389.325 2.607 20 0 GFADRP O=C(CC[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1)N1CC[NH2+]CC1 ZINC000563154068 565057643 /nfs/dbraw/zinc/05/76/43/565057643.db2.gz NSAOETRMXXHOMW-MRXNPFEDSA-N 2 0 384.293 2.547 20 0 GFADRP Brc1cnc2c(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cnn2c1 ZINC000638184591 565187542 /nfs/dbraw/zinc/18/75/42/565187542.db2.gz YSDHNAWZSQETBD-GUYCJALGSA-N 2 0 390.329 2.941 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000638490571 565199392 /nfs/dbraw/zinc/19/93/92/565199392.db2.gz ALQKEDPQDKERTL-UHFFFAOYSA-N 2 0 398.345 2.603 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000638831457 565214612 /nfs/dbraw/zinc/21/46/12/565214612.db2.gz LQCCYIHFRBKJOQ-HUUCEWRRSA-N 2 0 375.460 2.519 20 0 GFADRP Ic1ccccc1OC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000592476290 565278648 /nfs/dbraw/zinc/27/86/48/565278648.db2.gz ODMRHYABBLNHSQ-ZDUSSCGKSA-N 2 0 386.277 2.744 20 0 GFADRP C[C@@]([NH3+])(C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000663004803 565392564 /nfs/dbraw/zinc/39/25/64/565392564.db2.gz RSBQOBZQFUPRDR-BEFAXECRSA-N 2 0 394.357 2.861 20 0 GFADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000644595295 565484144 /nfs/dbraw/zinc/48/41/44/565484144.db2.gz WYBKYCXVXXYJCH-INIZCTEOSA-N 2 0 384.307 2.850 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[NH+]([C@@H]4CCOC4)CC3)c2cc1Br ZINC000644872568 565500590 /nfs/dbraw/zinc/50/05/90/565500590.db2.gz LUNAZXQQHKEPFK-CYBMUJFWSA-N 2 0 392.297 2.917 20 0 GFADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000623357022 565505969 /nfs/dbraw/zinc/50/59/69/565505969.db2.gz VHGMGRHMEBJECQ-UHFFFAOYSA-N 2 0 376.289 2.845 20 0 GFADRP C[NH+](C)Cc1ccnc(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000646156738 565588885 /nfs/dbraw/zinc/58/88/85/565588885.db2.gz TYBMSTHRGXYACU-QGZVFWFLSA-N 2 0 377.286 2.718 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647181222 565644740 /nfs/dbraw/zinc/64/47/40/565644740.db2.gz QKSPOGZNYVIDAJ-GFCCVEGCSA-N 2 0 392.288 2.776 20 0 GFADRP C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000671300557 565761124 /nfs/dbraw/zinc/76/11/24/565761124.db2.gz BQNORDWKFPSCQF-LBPRGKRZSA-N 2 0 378.460 2.929 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cn3cc(Br)ccc3n2)CC1 ZINC000650276576 565812094 /nfs/dbraw/zinc/81/20/94/565812094.db2.gz UFYVQPSMANUEQC-UHFFFAOYSA-N 2 0 394.361 2.603 20 0 GFADRP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1cc(F)c(Br)cc1F ZINC000629650802 565864865 /nfs/dbraw/zinc/86/48/65/565864865.db2.gz FDKINWDAHNKRMS-GHMZBOCLSA-N 2 0 390.272 2.575 20 0 GFADRP O=C(NCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000677237074 565965649 /nfs/dbraw/zinc/96/56/49/565965649.db2.gz AMFIEPLZTPHHJU-SJORKVTESA-N 2 0 380.330 2.785 20 0 GFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736564473 598561517 /nfs/dbraw/zinc/56/15/17/598561517.db2.gz BUUTVVQUWKZQCW-SFHVURJKSA-N 2 0 392.507 2.877 20 0 GFADRP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000820428515 607057368 /nfs/dbraw/zinc/05/73/68/607057368.db2.gz XTMVCWNJIXZYKE-CQSZACIVSA-N 2 0 384.459 2.797 20 0 GFADRP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820411253 607209282 /nfs/dbraw/zinc/20/92/82/607209282.db2.gz HNLLSXIPMJKOGL-DYESRHJHSA-N 2 0 391.523 2.506 20 0 GFADRP c1cc(-c2nn[nH]n2)sc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000826521749 608135826 /nfs/dbraw/zinc/13/58/26/608135826.db2.gz XOWZYISUVOZTKL-RYQLBKOJSA-N 2 0 380.521 2.928 20 0 GFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000824625450 609407786 /nfs/dbraw/zinc/40/77/86/609407786.db2.gz IHPLJSWPZXKOKD-KKSFZXQISA-N 2 0 392.507 2.674 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000817896734 660211635 /nfs/dbraw/zinc/21/16/35/660211635.db2.gz QQENIVYVHVLCJS-WBMJQRKESA-N 2 0 389.323 2.938 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(Br)c1 ZINC000836698238 660933012 /nfs/dbraw/zinc/93/30/12/660933012.db2.gz OOORCGUSTGULKL-HNNXBMFYSA-N 2 0 398.349 2.724 20 0 GFADRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000104167551 655079284 /nfs/dbraw/zinc/07/92/84/655079284.db2.gz ROQHAQGGLVNVAM-KBPBESRZSA-N 2 0 386.371 2.985 20 0 GFADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cncc(Br)c1 ZINC000579130957 655494582 /nfs/dbraw/zinc/49/45/82/655494582.db2.gz WLMYIJCKOFDRGQ-CQSZACIVSA-N 2 0 390.329 2.842 20 0 GFADRP COc1sc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1Br ZINC000746730005 655766915 /nfs/dbraw/zinc/76/69/15/655766915.db2.gz YORCEKHOJRDAGX-UHFFFAOYSA-N 2 0 376.364 2.636 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000840764822 661185243 /nfs/dbraw/zinc/18/52/43/661185243.db2.gz AODZXJVJJJLDPN-SJLPKXTDSA-N 2 0 380.627 2.960 20 0 GFADRP C[NH+]1CCC(CNC(=S)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000760485557 655982371 /nfs/dbraw/zinc/98/23/71/655982371.db2.gz INLVDNPGDLBYNQ-FUHWJXTLSA-N 2 0 380.627 2.937 20 0 GFADRP Cn1c(Cl)nc(Cl)c1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000840969980 661221900 /nfs/dbraw/zinc/22/19/00/661221900.db2.gz NOJQZOGQENGJPW-UHFFFAOYSA-N 2 0 383.323 2.844 20 0 GFADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000764385407 656109582 /nfs/dbraw/zinc/10/95/82/656109582.db2.gz XTPTXXRRIIVIDQ-MRXNPFEDSA-N 2 0 376.372 2.884 20 0 GFADRP C[C@H](C[NH2+]Cc1nc2ccc(Br)cc2s1)N1CC[NH+](C)CC1 ZINC000774994045 656582049 /nfs/dbraw/zinc/58/20/49/656582049.db2.gz WQTIEIVBVHNKOT-GFCCVEGCSA-N 2 0 383.359 2.784 20 0 GFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775394849 656636487 /nfs/dbraw/zinc/63/64/87/656636487.db2.gz HBJMBFAIJMYNFT-SOLBZPMBSA-N 2 0 385.643 2.582 20 0 GFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)CC1 ZINC000799177508 659171190 /nfs/dbraw/zinc/17/11/90/659171190.db2.gz REBAUJNHAHQXEH-QGZVFWFLSA-N 2 0 397.357 2.997 20 0 GFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)cnc1Cl ZINC000842697656 661349808 /nfs/dbraw/zinc/34/98/08/661349808.db2.gz CZPUVILVSNUDKN-LBPRGKRZSA-N 2 0 375.742 2.613 20 0 GFADRP COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1S(=O)(=O)C(F)F ZINC000848559719 661664917 /nfs/dbraw/zinc/66/49/17/661664917.db2.gz YJKZBFKQDIUKRZ-BZPMIXESSA-N 2 0 376.469 2.682 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(Br)cnc1Cl ZINC000850353729 661771642 /nfs/dbraw/zinc/77/16/42/661771642.db2.gz LCQKFYBORDUTPB-LBPRGKRZSA-N 2 0 377.758 2.859 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000856950361 662054234 /nfs/dbraw/zinc/05/42/34/662054234.db2.gz ZGUIYYIBDGZNSZ-CABCVRRESA-N 2 0 379.376 2.628 20 0 GFADRP COc1ncc(Br)cc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000865619628 662432350 /nfs/dbraw/zinc/43/23/50/662432350.db2.gz BWJRKRYADUXESB-UHFFFAOYSA-N 2 0 398.345 2.833 20 0 GFADRP C[NH+](C)C[C@@H]1CN(c2ncnc3cc(Br)sc32)C[C@H]1C[NH+](C)C ZINC000866011052 662456494 /nfs/dbraw/zinc/45/64/94/662456494.db2.gz UOAODTKCNCMKRT-VXGBXAGGSA-N 2 0 398.374 2.629 20 0 GFADRP Cc1cc(Br)cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870019960 662671428 /nfs/dbraw/zinc/67/14/28/662671428.db2.gz XBWRZXKNRALAER-HZPDHXFCSA-N 2 0 382.346 2.569 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000870950481 662711281 /nfs/dbraw/zinc/71/12/81/662711281.db2.gz GRBJLSNLPJIUCA-NVXWUHKLSA-N 2 0 380.330 2.687 20 0 GFADRP CCOP(=O)(CCC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)OCC ZINC000877526845 662878089 /nfs/dbraw/zinc/87/80/89/662878089.db2.gz VPHIKOIVFKENTD-SFHVURJKSA-N 2 0 375.494 2.743 20 0 GFADRP C[NH+](C)C[C@@H]1CN(Cc2c(Cl)nc3cc(Cl)ccn32)C[C@H]1C[NH+](C)C ZINC000877670598 662881370 /nfs/dbraw/zinc/88/13/70/662881370.db2.gz NANGVYAEBSMONF-ZIAGYGMSSA-N 2 0 384.355 2.812 20 0 GFADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892610063 663378507 /nfs/dbraw/zinc/37/85/07/663378507.db2.gz GQZHZGRLAXKRGG-UHFFFAOYSA-N 2 0 380.286 2.780 20 0 GFADRP CC(C)(C[NH3+])C1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000903789020 663807053 /nfs/dbraw/zinc/80/70/53/663807053.db2.gz NFAFSVQMCMWLFG-UHFFFAOYSA-N 2 0 393.329 2.654 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc(C)c2Br)CC1 ZINC000904378448 663832106 /nfs/dbraw/zinc/83/21/06/663832106.db2.gz CWOIWTCDKSSLLO-UHFFFAOYSA-N 2 0 382.346 2.838 20 0 GFADRP CC(C)[NH2+]CCCNC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000911761744 664255650 /nfs/dbraw/zinc/25/56/50/664255650.db2.gz GLOKPCGNGCWLOQ-UHFFFAOYSA-N 2 0 382.346 2.575 20 0 GFADRP CCC[NH+]1CCN(c2ccc(NC(=S)NCC[NH+](C)C)cc2Cl)CC1 ZINC000920076283 664521536 /nfs/dbraw/zinc/52/15/36/664521536.db2.gz UCMFSKMRNFVADC-UHFFFAOYSA-N 2 0 383.993 2.720 20 0 GFADRP C[C@H](C[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1)N1CC[NH+](C)CC1 ZINC000921690576 664560738 /nfs/dbraw/zinc/56/07/38/664560738.db2.gz UAGFWWWDTCRPNS-GFCCVEGCSA-N 2 0 383.309 2.795 20 0 GFADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccnc3Br)C2)[C@H]1C(C)C ZINC000922392084 664598878 /nfs/dbraw/zinc/59/88/78/664598878.db2.gz CSJZGSXGUKWEAA-KONPQCLYSA-N 2 0 382.346 2.804 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923363378 664628897 /nfs/dbraw/zinc/62/88/97/664628897.db2.gz VFFQKZAQERUWAK-LESCRADOSA-N 2 0 389.323 2.561 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)C1 ZINC000923390267 664629436 /nfs/dbraw/zinc/62/94/36/664629436.db2.gz WEPKYGMBWTXNPI-RANZSIQMSA-N 2 0 383.330 2.701 20 0 GFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCCC3)[nH+]c(C)n1)C2 ZINC001164805922 720078403 /nfs/dbraw/zinc/07/84/03/720078403.db2.gz AVEMAAPEVADFHS-KNQAVFIVSA-N 2 0 385.556 2.570 20 0 GFADRP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[N@@H+]3C2)c1 ZINC001164879866 721185351 /nfs/dbraw/zinc/18/53/51/721185351.db2.gz UWFIIYRFECTUEM-FGZHOGPDSA-N 2 0 393.535 2.552 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000155080921 551490595 /nfs/dbraw/zinc/49/05/95/551490595.db2.gz CFOPWAQUPVDPTI-YOEHRIQHSA-N 2 0 382.346 2.888 20 0 GFADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000162508932 551608980 /nfs/dbraw/zinc/60/89/80/551608980.db2.gz ZPUFPYJCZYIEKR-AWEZNQCLSA-N 2 0 381.318 2.764 20 0 GFADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000181689258 552265136 /nfs/dbraw/zinc/26/51/36/552265136.db2.gz AOISQGMDLVPFDO-GJZGRUSLSA-N 2 0 384.362 2.992 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000261881247 553161690 /nfs/dbraw/zinc/16/16/90/553161690.db2.gz ZEGSMEDDRNENIE-KBXCAEBGSA-N 2 0 380.330 2.567 20 0 GFADRP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261899979 553162345 /nfs/dbraw/zinc/16/23/45/553162345.db2.gz OSRGCALGYKZWRO-RDJZCZTQSA-N 2 0 380.330 2.529 20 0 GFADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1csc(CC[NH3+])n1 ZINC000262404480 553170205 /nfs/dbraw/zinc/17/02/05/553170205.db2.gz ROASJYWKZRWFGA-UHFFFAOYSA-N 2 0 376.551 2.754 20 0 GFADRP C[C@H](CC[NH3+])NC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000418518131 563219433 /nfs/dbraw/zinc/21/94/33/563219433.db2.gz FKYBIUSVIBEVHR-CQSZACIVSA-N 2 0 397.361 2.792 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418787394 563225894 /nfs/dbraw/zinc/22/58/94/563225894.db2.gz JQSORZULUWSIMN-DOTOQJQBSA-N 2 0 397.361 2.650 20 0 GFADRP Cc1nn(C)c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000279020479 563280412 /nfs/dbraw/zinc/28/04/12/563280412.db2.gz AFQLFUJAPYZZKR-UHFFFAOYSA-N 2 0 378.318 2.892 20 0 GFADRP C[NH+](C)CC[C@H]([NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)C(C)(C)C ZINC000372042617 563294148 /nfs/dbraw/zinc/29/41/48/563294148.db2.gz OCVMQQNDONUYTB-INIZCTEOSA-N 2 0 387.615 2.857 20 0 GFADRP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772971 563349342 /nfs/dbraw/zinc/34/93/42/563349342.db2.gz ZXGYNFKHJXJUGO-LBPRGKRZSA-N 2 0 377.348 2.718 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422906806 563350695 /nfs/dbraw/zinc/35/06/95/563350695.db2.gz KKVSCRCJXXRDOW-WMLDXEAASA-N 2 0 382.346 2.905 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423012348 563352977 /nfs/dbraw/zinc/35/29/77/563352977.db2.gz KJZGCEZSLJGAMT-ZKYQVNSYSA-N 2 0 381.826 2.865 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)c(F)c1 ZINC000423465530 563361406 /nfs/dbraw/zinc/36/14/06/563361406.db2.gz WOHHEDIEXKAGFA-ONUMYQOESA-N 2 0 398.320 2.886 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000423481929 563361542 /nfs/dbraw/zinc/36/15/42/563361542.db2.gz XDEWBAKHQBGRCW-KYOSRNDESA-N 2 0 387.343 2.775 20 0 GFADRP COc1ccc(Br)cc1CN(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433115882 563603505 /nfs/dbraw/zinc/60/35/05/563603505.db2.gz JOTKJAJXIQBRGV-UHFFFAOYSA-N 2 0 398.345 2.619 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000433134849 563603932 /nfs/dbraw/zinc/60/39/32/563603932.db2.gz RWAKXWZTEGWHAE-QGZVFWFLSA-N 2 0 380.330 2.756 20 0 GFADRP Fc1cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Br ZINC000414966760 563755049 /nfs/dbraw/zinc/75/50/49/563755049.db2.gz DVMQXNAIRLRFEM-ZDUSSCGKSA-N 2 0 384.215 2.514 20 0 GFADRP COCC1(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)CC[NH2+]CC1 ZINC000414977470 563755960 /nfs/dbraw/zinc/75/59/60/563755960.db2.gz QVXOBALFUQPNDW-UHFFFAOYSA-N 2 0 381.318 2.511 20 0 GFADRP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415049705 563757880 /nfs/dbraw/zinc/75/78/80/563757880.db2.gz XWPSVPHFGQCXOE-ZFWWWQNUSA-N 2 0 399.329 2.916 20 0 GFADRP [NH3+]C1(CNCc2ccc(Br)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000415127555 563760612 /nfs/dbraw/zinc/76/06/12/563760612.db2.gz IOZVWVCCIMMBSI-UHFFFAOYSA-N 2 0 389.341 2.927 20 0 GFADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415990035 563801419 /nfs/dbraw/zinc/80/14/19/563801419.db2.gz BVHLJPSIKFRTOU-CQSZACIVSA-N 2 0 380.842 2.693 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000449745806 564199492 /nfs/dbraw/zinc/19/94/92/564199492.db2.gz OXZBWSRFCTYORK-UHFFFAOYSA-N 2 0 396.373 2.890 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Br)ccc1OC(F)F ZINC000564314902 564228423 /nfs/dbraw/zinc/22/84/23/564228423.db2.gz LDFPDJGBFFHBPO-UHFFFAOYSA-N 2 0 394.304 2.976 20 0 GFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000510656125 564342443 /nfs/dbraw/zinc/34/24/43/564342443.db2.gz KPYMZLZDVQYCNK-YOEHRIQHSA-N 2 0 380.330 2.613 20 0 GFADRP Ic1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000511038153 564354518 /nfs/dbraw/zinc/35/45/18/564354518.db2.gz NVKIZUVJSAMYHG-LSDHHAIUSA-N 2 0 386.277 2.886 20 0 GFADRP COCC[NH2+]CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000570329352 564501143 /nfs/dbraw/zinc/50/11/43/564501143.db2.gz HPYVDCGTYOJSTE-UHFFFAOYSA-N 2 0 388.339 2.654 20 0 GFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)C[C@@H]21 ZINC000573685254 564649897 /nfs/dbraw/zinc/64/98/97/564649897.db2.gz ZMPGTZFLJDPEAG-CORIIIEPSA-N 2 0 384.293 2.976 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1CC[NH2+]CC1 ZINC000574975656 564690087 /nfs/dbraw/zinc/69/00/87/564690087.db2.gz QLKREOFLJZUDAO-UHFFFAOYSA-N 2 0 397.361 2.522 20 0 GFADRP Cc1cc(Br)c(F)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526186772 564721807 /nfs/dbraw/zinc/72/18/07/564721807.db2.gz BIQOVLKYXDHVQE-UHFFFAOYSA-N 2 0 389.313 2.854 20 0 GFADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ncc(Br)cc2F)CC1 ZINC000527685154 564755192 /nfs/dbraw/zinc/75/51/92/564755192.db2.gz JQKAPVOLDPTZRU-UHFFFAOYSA-N 2 0 380.265 2.742 20 0 GFADRP C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000554510538 564763355 /nfs/dbraw/zinc/76/33/55/564763355.db2.gz AVSWUSCTNVGXBD-ZDUSSCGKSA-N 2 0 376.328 2.713 20 0 GFADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCCc1cccc(Cl)c1Cl ZINC000580714893 564770964 /nfs/dbraw/zinc/77/09/64/564770964.db2.gz NFDWNJZJSVDECK-HOTGVXAUSA-N 2 0 384.351 2.974 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000529389183 564833183 /nfs/dbraw/zinc/83/31/83/564833183.db2.gz SYLVAHKPLMQCIT-CPUCHLNUSA-N 2 0 385.339 2.847 20 0 GFADRP Brc1ccccc1OCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242851 564873322 /nfs/dbraw/zinc/87/33/22/564873322.db2.gz VHTSNCJGFKWQRC-INIZCTEOSA-N 2 0 383.330 2.918 20 0 GFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000584224743 564925967 /nfs/dbraw/zinc/92/59/67/564925967.db2.gz QSBKVRKSWWQSHW-UHFFFAOYSA-N 2 0 394.361 2.603 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1 ZINC000499505774 564929954 /nfs/dbraw/zinc/92/99/54/564929954.db2.gz CWAYEUBIHAKGCR-KRWDZBQOSA-N 2 0 382.346 2.937 20 0 GFADRP CN1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638413016 565195441 /nfs/dbraw/zinc/19/54/41/565195441.db2.gz VYTFNMKQCGIVOU-GBESFXJTSA-N 2 0 396.373 2.631 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638852469 565215953 /nfs/dbraw/zinc/21/59/53/565215953.db2.gz GAGQCMBMTRNQMT-UHFFFAOYSA-N 2 0 381.318 2.708 20 0 GFADRP Ic1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000592470863 565279032 /nfs/dbraw/zinc/27/90/32/565279032.db2.gz NIDTXTNONBKMNY-KCQAQPDRSA-N 2 0 386.277 2.648 20 0 GFADRP O=C(c1sc2c(c1Br)CNC2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662336670 565361393 /nfs/dbraw/zinc/36/13/93/565361393.db2.gz HKFVBOQWNGOPJK-PWSUYJOCSA-N 2 0 384.343 2.718 20 0 GFADRP C[NH+](C)CC1CCC(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000646262434 565593533 /nfs/dbraw/zinc/59/35/33/565593533.db2.gz VTWKNGJBQQYLQN-PVCYVWKFSA-N 2 0 382.346 2.860 20 0 GFADRP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1cc(Br)ccc1F ZINC000647798109 565676870 /nfs/dbraw/zinc/67/68/70/565676870.db2.gz LMGKXJRLKDRHHC-GZIXRCOHSA-N 2 0 385.321 2.717 20 0 GFADRP Cc1cc(Br)cc(C)c1NC(=O)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000679816806 566053200 /nfs/dbraw/zinc/05/32/00/566053200.db2.gz YQWOUYHKZZRDFJ-GJZGRUSLSA-N 2 0 380.330 2.936 20 0 GFADRP NC(=O)[C@@H]1CCC[N@H+](CCCNCc2oc3ccccc3c2Br)C1 ZINC000655729620 566084681 /nfs/dbraw/zinc/08/46/81/566084681.db2.gz MFIDAOMGFPRWSZ-CYBMUJFWSA-N 2 0 394.313 2.872 20 0 GFADRP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000738420466 599489822 /nfs/dbraw/zinc/48/98/22/599489822.db2.gz HACGZHACIVIHGL-UHFFFAOYSA-N 2 0 382.516 2.650 20 0 GFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842675166 661348493 /nfs/dbraw/zinc/34/84/93/661348493.db2.gz DCEILKLAHRQGPD-CYBMUJFWSA-N 2 0 389.769 2.861 20 0 GFADRP COc1ccc(C[C@@H](CO)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000834898754 660837354 /nfs/dbraw/zinc/83/73/54/660837354.db2.gz GKCKZNRPIRKARK-MGNMYUMUSA-N 2 0 397.357 2.824 20 0 GFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000268419711 654970550 /nfs/dbraw/zinc/97/05/50/654970550.db2.gz KWZBYFFCKVSVRK-UHFFFAOYSA-N 2 0 385.302 2.503 20 0 GFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000268451108 654972123 /nfs/dbraw/zinc/97/21/23/654972123.db2.gz WFBUVELITCEKDV-UHFFFAOYSA-N 2 0 399.329 2.545 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1sccc1Br ZINC000070165666 654992091 /nfs/dbraw/zinc/99/20/91/654992091.db2.gz HHOIMPBHWRIZDU-UHFFFAOYSA-N 2 0 376.364 2.856 20 0 GFADRP COCCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000268997178 654994452 /nfs/dbraw/zinc/99/44/52/654994452.db2.gz OBLPDQAIBHEQFE-QGZVFWFLSA-N 2 0 385.346 2.963 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000177966232 655292987 /nfs/dbraw/zinc/29/29/87/655292987.db2.gz KQHOQUQLBAAKHD-WMLDXEAASA-N 2 0 382.346 2.888 20 0 GFADRP C[NH+](C)CC1CC[NH+](CN2CC[C@@H](c3cccc(Br)c3)C2=O)CC1 ZINC000840001320 661123111 /nfs/dbraw/zinc/12/31/11/661123111.db2.gz ZWFASOFNQXAMOV-SFHVURJKSA-N 2 0 394.357 2.996 20 0 GFADRP C[C@@H](C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000566056248 655424393 /nfs/dbraw/zinc/42/43/93/655424393.db2.gz FLSZLUAIOBFJSE-IRWQIABSSA-N 2 0 394.357 2.789 20 0 GFADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000577564722 655462053 /nfs/dbraw/zinc/46/20/53/655462053.db2.gz UFPCVKQQCPDZSM-OAHLLOKOSA-N 2 0 385.599 2.926 20 0 GFADRP C[C@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000578009726 655471099 /nfs/dbraw/zinc/47/10/99/655471099.db2.gz BERXMYMUNKPFTD-KDOFPFPSSA-N 2 0 382.346 2.861 20 0 GFADRP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000863543360 662335951 /nfs/dbraw/zinc/33/59/51/662335951.db2.gz YPTRTFTXNBMXDL-MRXNPFEDSA-N 2 0 378.314 2.778 20 0 GFADRP [NH3+][C@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cccc(Br)c1 ZINC000867986143 662590683 /nfs/dbraw/zinc/59/06/83/662590683.db2.gz XXMKDFVLBUBRNV-IRXDYDNUSA-N 2 0 390.281 2.749 20 0 GFADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000870994149 662712370 /nfs/dbraw/zinc/71/23/70/662712370.db2.gz NWKDONDUQDSTAQ-ROUUACIJSA-N 2 0 382.346 2.847 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872018920 662753922 /nfs/dbraw/zinc/75/39/22/662753922.db2.gz RCHALQASULEGLQ-HKUYNNGSSA-N 2 0 396.373 2.754 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872038188 662754502 /nfs/dbraw/zinc/75/45/02/662754502.db2.gz LFSNAEHEQLAODD-NVXWUHKLSA-N 2 0 383.330 2.573 20 0 GFADRP C[C@@H](C[NH2+]Cc1c(Br)c2ccccc2n1C)CN1CC[NH+](C)CC1 ZINC000873041543 662797286 /nfs/dbraw/zinc/79/72/86/662797286.db2.gz AZFWVVWXVMLRKL-HNNXBMFYSA-N 2 0 393.373 2.914 20 0 GFADRP C[NH+]1CCC(NC(=O)C[NH+]2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000878552642 662898805 /nfs/dbraw/zinc/89/88/05/662898805.db2.gz SCDQMAZDAJQVKN-UHFFFAOYSA-N 2 0 394.357 2.839 20 0 GFADRP CC(=O)NCC[N@H+](Cc1ccc(Br)s1)CC1CC[NH+](C)CC1 ZINC000894260908 663451328 /nfs/dbraw/zinc/45/13/28/663451328.db2.gz IGZBYDBQYJNRGK-UHFFFAOYSA-N 2 0 388.375 2.791 20 0 GFADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903923034 663811596 /nfs/dbraw/zinc/81/15/96/663811596.db2.gz KASBQEAEECSEMY-GXTWGEPZSA-N 2 0 396.308 2.825 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)cnn1C ZINC000903937783 663812803 /nfs/dbraw/zinc/81/28/03/663812803.db2.gz RFJBJDPVOXETSF-GBRSUSRYSA-N 2 0 389.341 2.536 20 0 GFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ncc(Br)cc1Br ZINC000903973885 663814249 /nfs/dbraw/zinc/81/42/49/663814249.db2.gz HVOQCXQUMFBWOZ-NXEZZACHSA-N 2 0 377.124 2.942 20 0 GFADRP C[C@@]1(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CCC[NH2+]C1 ZINC000904337178 663830672 /nfs/dbraw/zinc/83/06/72/663830672.db2.gz PXOWKJGPRVELKC-GOSISDBHSA-N 2 0 395.345 2.884 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccccc1I)CC2 ZINC000904388895 663832016 /nfs/dbraw/zinc/83/20/16/663832016.db2.gz DELGGYGXJYHXJO-CQSZACIVSA-N 2 0 386.277 2.621 20 0 GFADRP [NH3+][C@H](CC(=O)NC[C@@H]([NH3+])c1ccccc1)Cc1ccc(Br)cc1 ZINC000911766253 664256063 /nfs/dbraw/zinc/25/60/63/664256063.db2.gz CYFUWGMUFNAPKA-DLBZAZTESA-N 2 0 376.298 2.525 20 0 GFADRP COC(=O)c1cc(Br)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000923284569 664627420 /nfs/dbraw/zinc/62/74/20/664627420.db2.gz PGUMWAUDMPVXEA-NSHDSACASA-N 2 0 385.302 2.804 20 0 GFADRP O[C@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000923410352 664630011 /nfs/dbraw/zinc/63/00/11/664630011.db2.gz NFNNLQCMIZIDKP-ZWKOTPCHSA-N 2 0 383.330 2.573 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@H](O)COc1cc(Cl)ccc1Cl)CC2 ZINC000923438662 664630591 /nfs/dbraw/zinc/63/05/91/664630591.db2.gz BGMMESKQFRRRGS-LSDHHAIUSA-N 2 0 389.323 2.563 20 0 GFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1nc(Br)ccc1F ZINC000924958925 664664500 /nfs/dbraw/zinc/66/45/00/664664500.db2.gz NKDLLWNFTQMMOF-ZDUSSCGKSA-N 2 0 387.341 2.907 20 0 GFADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999497 664664914 /nfs/dbraw/zinc/66/49/14/664664914.db2.gz JDFLXSADWZPBQP-WMLDXEAASA-N 2 0 394.357 2.790 20 0 GFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000926201700 664684692 /nfs/dbraw/zinc/68/46/92/664684692.db2.gz OLHXZBFTGHBKED-KBXCAEBGSA-N 2 0 381.362 2.837 20 0 GFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1(Br)CC1 ZINC000926593808 664693107 /nfs/dbraw/zinc/69/31/07/664693107.db2.gz CMLBUTNRQCYJEE-AWEZNQCLSA-N 2 0 394.357 2.790 20 0 GFADRP [NH3+]C1CCN(c2ccnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164626078 719088051 /nfs/dbraw/zinc/08/80/51/719088051.db2.gz IDLZFBSZAIIQBH-CTNGQTDRSA-N 2 0 392.551 2.505 20 0 GFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164816076 720164853 /nfs/dbraw/zinc/16/48/53/720164853.db2.gz KGLNPPAWRYYBCW-GGAORHGYSA-N 2 0 384.568 2.862 20 0 GFADRP c1cc2c(cc[nH+]c2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH]1 ZINC001164740686 720812814 /nfs/dbraw/zinc/81/28/14/720812814.db2.gz ADDNSXPAAKQUGI-SQGPQFPESA-N 2 0 377.496 2.534 20 0 GFADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N)c(C)c[nH+]3)C2)C1 ZINC001164787753 721363874 /nfs/dbraw/zinc/36/38/74/721363874.db2.gz ZUWYPCUUNLLJOP-NRFANRHFSA-N 2 0 385.512 2.696 20 0 GFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CC[NH2+]C4)C[C@@H]21 ZINC001165019650 721803440 /nfs/dbraw/zinc/80/34/40/721803440.db2.gz DKUWNWJFFNJYGF-RCZSKKKRSA-N 2 0 377.536 2.859 20 0 GFADRP C[NH+](C)Cc1cccc(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000047793421 205111813 /nfs/dbraw/zinc/11/18/13/205111813.db2.gz JKGKNAOWEZWYFT-UHFFFAOYSA-N 2 0 388.556 2.583 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cncc(Br)c1 ZINC000126876852 551333756 /nfs/dbraw/zinc/33/37/56/551333756.db2.gz UTIKQLMVPMPSMI-MRXNPFEDSA-N 2 0 398.349 2.724 20 0 GFADRP O=C(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(Br)cc1 ZINC000151245929 551410106 /nfs/dbraw/zinc/41/01/06/551410106.db2.gz SSFSIGOFHXREKA-UHFFFAOYSA-N 2 0 389.297 2.995 20 0 GFADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000168960297 551634725 /nfs/dbraw/zinc/63/47/25/551634725.db2.gz ONLNUECZDATGDP-GOSISDBHSA-N 2 0 386.367 2.960 20 0 GFADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cncc(Br)c2)C1 ZINC000183765643 552319196 /nfs/dbraw/zinc/31/91/96/552319196.db2.gz JSPNZYTXDIFYJO-GOSISDBHSA-N 2 0 376.298 2.701 20 0 GFADRP C[N@@H+]1CCC[C@@H]2CN([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000248845576 553135524 /nfs/dbraw/zinc/13/55/24/553135524.db2.gz AKTLOMXOKXDBOS-OLMNPRSZSA-N 2 0 392.341 2.971 20 0 GFADRP C[NH2+]CCC1CC[NH+](CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000261629467 553154309 /nfs/dbraw/zinc/15/43/09/553154309.db2.gz BUFHGEQUALQNLW-UHFFFAOYSA-N 2 0 382.346 2.729 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000261881249 553161880 /nfs/dbraw/zinc/16/18/80/553161880.db2.gz ZEGSMEDDRNENIE-KDOFPFPSSA-N 2 0 380.330 2.567 20 0 GFADRP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261970160 553163626 /nfs/dbraw/zinc/16/36/26/553163626.db2.gz YWQXSCBPFVYYCR-PBHICJAKSA-N 2 0 380.330 2.529 20 0 GFADRP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000418597959 563220874 /nfs/dbraw/zinc/22/08/74/563220874.db2.gz IDTIYPGFTIVMSK-PBHICJAKSA-N 2 0 397.361 2.663 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422910510 563350493 /nfs/dbraw/zinc/35/04/93/563350493.db2.gz QVKJDEQIHJMRLQ-SUMWQHHRSA-N 2 0 398.345 2.685 20 0 GFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422952159 563351248 /nfs/dbraw/zinc/35/12/48/563351248.db2.gz ACZOAHIDLLGYJY-LBPRGKRZSA-N 2 0 391.313 2.692 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422945703 563351740 /nfs/dbraw/zinc/35/17/40/563351740.db2.gz NNFNHSVJEMFGDD-DFEHZGFQSA-N 2 0 382.346 2.617 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000423092410 563354966 /nfs/dbraw/zinc/35/49/66/563354966.db2.gz BUNAWZBJINFJTA-CHWSQXEVSA-N 2 0 384.318 2.816 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CO)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000423097220 563355533 /nfs/dbraw/zinc/35/55/33/563355533.db2.gz QJWCHFZTJHOPTC-SWLSCSKDSA-N 2 0 389.323 2.938 20 0 GFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423445471 563361126 /nfs/dbraw/zinc/36/11/26/563361126.db2.gz XWJZEMBIESYJGS-BXUZGUMPSA-N 2 0 375.332 2.775 20 0 GFADRP NC(=O)[C@H]1CCCN1CCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000283900012 563458114 /nfs/dbraw/zinc/45/81/14/563458114.db2.gz JXBUAESXAHBBTP-MRXNPFEDSA-N 2 0 378.929 2.893 20 0 GFADRP C[C@H](NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000431016252 563551587 /nfs/dbraw/zinc/55/15/87/563551587.db2.gz ZGESLCMUPKXPHW-AWEZNQCLSA-N 2 0 380.330 2.702 20 0 GFADRP CCOc1cc(Br)ccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433174059 563605115 /nfs/dbraw/zinc/60/51/15/563605115.db2.gz IBEKQYUZMCULGD-UHFFFAOYSA-N 2 0 384.318 2.990 20 0 GFADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1Br ZINC000414179253 563721898 /nfs/dbraw/zinc/72/18/98/563721898.db2.gz ADEQNVDGEQMCNU-MRXNPFEDSA-N 2 0 396.373 2.896 20 0 GFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414970110 563755262 /nfs/dbraw/zinc/75/52/62/563755262.db2.gz JYCBZPLLYJSRTM-WFASDCNBSA-N 2 0 394.279 2.806 20 0 GFADRP C[C@@H](C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Br)c1 ZINC000414971963 563755609 /nfs/dbraw/zinc/75/56/09/563755609.db2.gz JDZJFDCHPSAPDJ-SWLSCSKDSA-N 2 0 394.279 2.978 20 0 GFADRP Fc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Br)c1 ZINC000414995335 563756393 /nfs/dbraw/zinc/75/63/93/563756393.db2.gz WIWLHHAKNTUVCE-CYBMUJFWSA-N 2 0 384.215 2.514 20 0 GFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(I)cc1 ZINC000449148057 563907561 /nfs/dbraw/zinc/90/75/61/563907561.db2.gz IVJGIROQWAIOIY-MRXNPFEDSA-N 2 0 388.293 2.618 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Br)c1 ZINC000505731524 564188608 /nfs/dbraw/zinc/18/86/08/564188608.db2.gz NSQQGHOHRWHFPU-QGZVFWFLSA-N 2 0 382.346 2.937 20 0 GFADRP C[NH+](C)CCNC(=O)C1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000507433377 564229016 /nfs/dbraw/zinc/22/90/16/564229016.db2.gz LHAHGRLTRTXNKZ-UHFFFAOYSA-N 2 0 388.339 2.762 20 0 GFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000566116584 564310524 /nfs/dbraw/zinc/31/05/24/564310524.db2.gz PXULMEJETGITRL-MRVWCRGKSA-N 2 0 391.737 2.915 20 0 GFADRP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc(I)c1OC ZINC000566230167 564318496 /nfs/dbraw/zinc/31/84/96/564318496.db2.gz NDAREJDTVDVIBD-ZJUUUORDSA-N 2 0 378.254 2.524 20 0 GFADRP C[NH2+]CCC1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000566244406 564318959 /nfs/dbraw/zinc/31/89/59/564318959.db2.gz NXMIZISRDGLBGC-KRWDZBQOSA-N 2 0 380.330 2.876 20 0 GFADRP CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000517554227 564536431 /nfs/dbraw/zinc/53/64/31/564536431.db2.gz VVPCELTVIAGEOT-BHYGNILZSA-N 2 0 385.961 2.677 20 0 GFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000517733085 564541002 /nfs/dbraw/zinc/54/10/02/564541002.db2.gz WVBYCYJNEMHOJY-RDJZCZTQSA-N 2 0 385.346 2.899 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549709464 564602059 /nfs/dbraw/zinc/60/20/59/564602059.db2.gz DXAWLLNEWQUKIP-QGZVFWFLSA-N 2 0 380.374 2.924 20 0 GFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000550155896 564616292 /nfs/dbraw/zinc/61/62/92/564616292.db2.gz DZYYQUKXJRJLQE-INIZCTEOSA-N 2 0 380.374 2.922 20 0 GFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000574417289 564672409 /nfs/dbraw/zinc/67/24/09/564672409.db2.gz BHZUXGZOKDWPTR-DOTOQJQBSA-N 2 0 380.374 2.922 20 0 GFADRP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000582839728 564864111 /nfs/dbraw/zinc/86/41/11/564864111.db2.gz JCCZHAPRWHWIMD-BRWVUGGUSA-N 2 0 380.330 2.689 20 0 GFADRP C[NH+](C)CCN1CCC([NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000501483484 564981287 /nfs/dbraw/zinc/98/12/87/564981287.db2.gz VYVOOZFQNGBNSW-UHFFFAOYSA-N 2 0 376.289 2.843 20 0 GFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638877694 565215853 /nfs/dbraw/zinc/21/58/53/565215853.db2.gz PPGDLAAMCNRESV-UHFFFAOYSA-N 2 0 381.318 2.706 20 0 GFADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000644669178 565489014 /nfs/dbraw/zinc/48/90/14/565489014.db2.gz HDPJXSMUNYKHJY-CQSZACIVSA-N 2 0 389.359 2.544 20 0 GFADRP Ic1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595885278 565496336 /nfs/dbraw/zinc/49/63/36/565496336.db2.gz LRTHWBGIYBYKDA-BBRMVZONSA-N 2 0 398.288 2.949 20 0 GFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3nccc(Br)c3C2)CC1 ZINC000623286954 565503539 /nfs/dbraw/zinc/50/35/39/565503539.db2.gz KIHDEUDVYOWNKV-UHFFFAOYSA-N 2 0 381.362 2.618 20 0 GFADRP O=C(NCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000647789305 565676005 /nfs/dbraw/zinc/67/60/05/565676005.db2.gz AMWHJJNOAMPABB-ZMSDIMECSA-N 2 0 380.330 2.547 20 0 GFADRP Brc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(N2CCOCC2)c1 ZINC000647793021 565677091 /nfs/dbraw/zinc/67/70/91/565677091.db2.gz IALONGHUFFIYNV-QILLFSRXSA-N 2 0 394.357 2.763 20 0 GFADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351612 565922860 /nfs/dbraw/zinc/92/28/60/565922860.db2.gz KXIPBOABBJHOEU-QOKNQOGYSA-N 2 0 394.357 2.857 20 0 GFADRP COc1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c(F)cc1Br ZINC000631042096 565935505 /nfs/dbraw/zinc/93/55/05/565935505.db2.gz VWCUPDNCOMDVLJ-UHFFFAOYSA-N 2 0 388.325 2.714 20 0 GFADRP Cc1c(Br)csc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000631258623 565951113 /nfs/dbraw/zinc/95/11/13/565951113.db2.gz CKVANWLQGDEYGX-GFCCVEGCSA-N 2 0 386.359 2.717 20 0 GFADRP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000635007303 566187918 /nfs/dbraw/zinc/18/79/18/566187918.db2.gz VYJUZUIWCKEBOJ-LHIBYTEYSA-N 2 0 377.326 2.834 20 0 GFADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635005410 566188047 /nfs/dbraw/zinc/18/80/47/566188047.db2.gz IQPZMDMTTWWOLT-YOEHRIQHSA-N 2 0 378.314 2.549 20 0 GFADRP COc1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1-c1nn[nH]n1 ZINC000826202104 608286957 /nfs/dbraw/zinc/28/69/57/608286957.db2.gz OAYIWGZRYOQCBA-OAHLLOKOSA-N 2 0 396.495 2.667 20 0 GFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824617409 609133637 /nfs/dbraw/zinc/13/36/37/609133637.db2.gz HNLDYKJMNIDWEH-CQSZACIVSA-N 2 0 384.459 2.797 20 0 GFADRP COc1cc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1S(=O)(=O)C(F)F ZINC000817981386 660212957 /nfs/dbraw/zinc/21/29/57/660212957.db2.gz RWOPICDNINUPHM-OCCSQVGLSA-N 2 0 376.469 2.874 20 0 GFADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Br)ncc1F ZINC000817982365 660212964 /nfs/dbraw/zinc/21/29/64/660212964.db2.gz CTSXFMMAUWBPAQ-IYXRBSQSSA-N 2 0 385.325 2.850 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000838673317 661053385 /nfs/dbraw/zinc/05/33/85/661053385.db2.gz XETDSAIAZBARJO-GDBMZVCRSA-N 2 0 379.376 2.628 20 0 GFADRP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])CCSC)cc2Cl)CC1 ZINC000272505119 655115097 /nfs/dbraw/zinc/11/50/97/655115097.db2.gz WLIXBXBJGKVSAP-MRXNPFEDSA-N 2 0 384.977 2.891 20 0 GFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000751997983 655838261 /nfs/dbraw/zinc/83/82/61/655838261.db2.gz KFXXJIYDOOANIT-YJBOKZPZSA-N 2 0 385.346 2.915 20 0 GFADRP OC1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000840885581 661198490 /nfs/dbraw/zinc/19/84/90/661198490.db2.gz ZLFMRYJSVHGIFV-QRVBRYPASA-N 2 0 378.607 2.983 20 0 GFADRP Cc1cc(Br)cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000774862044 656563709 /nfs/dbraw/zinc/56/37/09/656563709.db2.gz HVLOSYVXXQKCSC-UHFFFAOYSA-N 2 0 382.346 2.647 20 0 GFADRP Cc1cc([C@@H]([NH3+])CC(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc(Cl)n1 ZINC000841857535 661316437 /nfs/dbraw/zinc/31/64/37/661316437.db2.gz URFXZJKERHALNY-ZDUSSCGKSA-N 2 0 379.917 2.996 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000855345648 661987433 /nfs/dbraw/zinc/98/74/33/661987433.db2.gz DWAMHMPGAPLJNV-NSHDSACASA-N 2 0 380.842 2.756 20 0 GFADRP [NH3+][C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc(Br)c1 ZINC000870894406 662707122 /nfs/dbraw/zinc/70/71/22/662707122.db2.gz SBXNQKSQTYLZKS-PBHICJAKSA-N 2 0 380.330 2.783 20 0 GFADRP COC(=O)c1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1Br ZINC000877084254 662870871 /nfs/dbraw/zinc/87/08/71/662870871.db2.gz FBAWDMJDABEAEP-UHFFFAOYSA-N 2 0 399.329 2.561 20 0 GFADRP COCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000878574043 662899216 /nfs/dbraw/zinc/89/92/16/662899216.db2.gz XQEZNOTUWBRCMR-KRWDZBQOSA-N 2 0 388.339 2.871 20 0 GFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898724192 663661245 /nfs/dbraw/zinc/66/12/45/663661245.db2.gz LMHCPDKUCLZDKZ-OAHLLOKOSA-N 2 0 393.329 2.691 20 0 GFADRP O=C(CC[N@@H+]1CC[NH2+]CCC12CCOCC2)Nc1ccccc1Br ZINC000903815715 663807561 /nfs/dbraw/zinc/80/75/61/663807561.db2.gz QOBFPODRKGQUFS-UHFFFAOYSA-N 2 0 396.329 2.622 20 0 GFADRP [NH3+][C@@H](CNC(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1)c1ccccc1 ZINC000911766256 664256111 /nfs/dbraw/zinc/25/61/11/664256111.db2.gz CYFUWGMUFNAPKA-IRXDYDNUSA-N 2 0 376.298 2.525 20 0 GFADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923280876 664627320 /nfs/dbraw/zinc/62/73/20/664627320.db2.gz LEXRXBWSJPQGOP-DGCLKSJQSA-N 2 0 377.710 2.513 20 0 GFADRP C[C@@](C[NH3+])([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000923296760 664627735 /nfs/dbraw/zinc/62/77/35/664627735.db2.gz WNUCAIZWFLGHRV-DOMZBBRYSA-N 2 0 377.710 2.559 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCC(=O)Nc1ccc(Br)cc1)CC2 ZINC000923450582 664630793 /nfs/dbraw/zinc/63/07/93/664630793.db2.gz WEEMYMBEHMMKCI-MRXNPFEDSA-N 2 0 396.329 2.608 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1nc(Br)ccc1F ZINC000925043473 664665953 /nfs/dbraw/zinc/66/59/53/664665953.db2.gz YQNRINDRSSFSAY-QWHCGFSZSA-N 2 0 385.325 2.802 20 0 GFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Br ZINC000925853702 664675977 /nfs/dbraw/zinc/67/59/77/664675977.db2.gz KOTQVCLOLSYVSK-TZMCWYRMSA-N 2 0 397.313 2.794 20 0 GFADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1F ZINC000925853745 664676106 /nfs/dbraw/zinc/67/61/06/664676106.db2.gz QXYMFMSLWBBDBO-YPMHNXCESA-N 2 0 385.277 2.924 20 0 GFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C[NH+](C)C3CC3)cn1)C2 ZINC001164817518 720179784 /nfs/dbraw/zinc/17/97/84/720179784.db2.gz PQOQBJAGGSKSDO-REWPJTCUSA-N 2 0 384.568 2.861 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@]4(CCN(CC5CC5)C4=O)C3)c2)CC1 ZINC001164818141 720283152 /nfs/dbraw/zinc/28/31/52/720283152.db2.gz IJOYWICJYSKGGO-HSZRJFAPSA-N 2 0 398.551 2.784 20 0 GFADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(N3CCCC3)cc[nH+]2)CC1 ZINC001164833351 720328796 /nfs/dbraw/zinc/32/87/96/720328796.db2.gz WAPRUZSDPRPKLB-NHCUHLMSSA-N 2 0 397.567 2.593 20 0 GFADRP Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(-n5ccnc5)cc[nH+]4)CC[N@@H+]3C2)c1 ZINC001164903092 721561185 /nfs/dbraw/zinc/56/11/85/721561185.db2.gz AIECJTZBVNOACL-AZUAARDMSA-N 2 0 379.439 2.748 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982058 722124392 /nfs/dbraw/zinc/12/43/92/722124392.db2.gz VUMFNNHCPNPIFD-PZJWPPBQSA-N 2 0 382.508 2.991 20 0 GFADRP O=C(NCC[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000130115481 551362189 /nfs/dbraw/zinc/36/21/89/551362189.db2.gz OIYAACMGAONVJG-UHFFFAOYSA-N 2 0 380.330 2.643 20 0 GFADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158734566 551555578 /nfs/dbraw/zinc/55/55/78/551555578.db2.gz IVXANFYHJZGCJF-HNNXBMFYSA-N 2 0 398.345 2.868 20 0 GFADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000172771719 551686929 /nfs/dbraw/zinc/68/69/29/551686929.db2.gz PWJYYJSBZJSJBH-UHFFFAOYSA-N 2 0 388.339 2.762 20 0 GFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000187204592 552409330 /nfs/dbraw/zinc/40/93/30/552409330.db2.gz CQWXQSNWOYWIAF-HNNXBMFYSA-N 2 0 384.362 2.821 20 0 GFADRP C[N@@H+]1CCC[C@@H]2CN([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000248845574 553135810 /nfs/dbraw/zinc/13/58/10/553135810.db2.gz AKTLOMXOKXDBOS-JLSDUUJJSA-N 2 0 392.341 2.971 20 0 GFADRP C[C@@]([NH3+])(C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1ccc(Br)cc1 ZINC000261761660 553158563 /nfs/dbraw/zinc/15/85/63/553158563.db2.gz JSZCVIMBIFDGEA-ZBEGNZNMSA-N 2 0 395.326 2.534 20 0 GFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261885036 553161869 /nfs/dbraw/zinc/16/18/69/553161869.db2.gz ZPWKHAQOBXVNLR-WMZOPIPTSA-N 2 0 382.346 2.956 20 0 GFADRP C[C@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1cccc(Br)c1 ZINC000262034350 553164479 /nfs/dbraw/zinc/16/44/79/553164479.db2.gz OJFRIODNRLYNDG-PBHICJAKSA-N 2 0 382.346 2.872 20 0 GFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000370486059 563245816 /nfs/dbraw/zinc/24/58/16/563245816.db2.gz VOHCDPXMWODYHX-KBAYOESNSA-N 2 0 399.377 2.905 20 0 GFADRP Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422700643 563348293 /nfs/dbraw/zinc/34/82/93/563348293.db2.gz ANABCTZMIQJLIO-DSLXNQLJSA-N 2 0 394.357 2.775 20 0 GFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422778147 563349978 /nfs/dbraw/zinc/34/99/78/563349978.db2.gz AFZPWPPVPOMAMT-RDJZCZTQSA-N 2 0 385.599 2.572 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896350 563349988 /nfs/dbraw/zinc/34/99/88/563349988.db2.gz XVKVQJJLPNZXCF-JVPBZIDWSA-N 2 0 396.373 2.755 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900595 563350201 /nfs/dbraw/zinc/35/02/01/563350201.db2.gz QTZQCVTXBMYXKA-IHETXDGRSA-N 2 0 382.346 2.617 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2sccc2Br)CC[NH2+]CC1 ZINC000422935873 563351893 /nfs/dbraw/zinc/35/18/93/563351893.db2.gz AYDHFQOKJCPMSH-NSHDSACASA-N 2 0 375.332 2.922 20 0 GFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423110453 563355186 /nfs/dbraw/zinc/35/51/86/563355186.db2.gz IDWKTGLNWBMNJU-DZGCQCFKSA-N 2 0 391.940 2.658 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000423165267 563357779 /nfs/dbraw/zinc/35/77/79/563357779.db2.gz UFHNDCHEBSCDSZ-ZOBUZTSGSA-N 2 0 385.346 2.716 20 0 GFADRP Brc1cccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)C2CCOCC2)c1 ZINC000423177390 563358521 /nfs/dbraw/zinc/35/85/21/563358521.db2.gz DTPFNLQULGBVDD-LJQANCHMSA-N 2 0 396.373 2.802 20 0 GFADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)cs1 ZINC000423372821 563360390 /nfs/dbraw/zinc/36/03/90/563360390.db2.gz BJTVNRGDVFWXMB-JOYOIKCWSA-N 2 0 386.281 2.997 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)c2cc1Br ZINC000425230563 563413203 /nfs/dbraw/zinc/41/32/03/563413203.db2.gz CIWOORVGYCLJHH-QWHCGFSZSA-N 2 0 394.313 2.897 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(Br)ccc1O ZINC000301998190 563417966 /nfs/dbraw/zinc/41/79/66/563417966.db2.gz PUVOEKQCFHPKSU-UHFFFAOYSA-N 2 0 386.334 2.500 20 0 GFADRP C[C@H](c1cccc(Br)c1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000378358107 563503806 /nfs/dbraw/zinc/50/38/06/563503806.db2.gz YERDQOOZCYBHDJ-DYVFJYSZSA-N 2 0 380.330 2.924 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000433113415 563603468 /nfs/dbraw/zinc/60/34/68/563603468.db2.gz DQGASEJVFAHVTC-INIZCTEOSA-N 2 0 396.329 2.592 20 0 GFADRP O=C1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)[C@H](C2CC[NH2+]CC2)N1 ZINC000333337456 563628900 /nfs/dbraw/zinc/62/89/00/563628900.db2.gz XHOZGSXVECDXEU-LMMKCTJWSA-N 2 0 392.341 2.673 20 0 GFADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000414113689 563719425 /nfs/dbraw/zinc/71/94/25/563719425.db2.gz OADHZJHGXMBDFO-AWEZNQCLSA-N 2 0 382.346 2.996 20 0 GFADRP Cc1cc(Br)cc(C[NH2+]CCCN2CC[NH2+]CC2)c1OC(F)F ZINC000414777759 563752821 /nfs/dbraw/zinc/75/28/21/563752821.db2.gz HJSFIQHSGALCKH-UHFFFAOYSA-N 2 0 392.288 2.744 20 0 GFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)CC[NH2+]1 ZINC000414759592 563752902 /nfs/dbraw/zinc/75/29/02/563752902.db2.gz FHUNRUYHZVZTGA-KGLIPLIRSA-N 2 0 378.318 2.850 20 0 GFADRP CC1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC[NH2+]CC1 ZINC000414899155 563753902 /nfs/dbraw/zinc/75/39/02/563753902.db2.gz GZQZZQBDBDCJFH-UHFFFAOYSA-N 2 0 382.346 2.765 20 0 GFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000414996854 563755907 /nfs/dbraw/zinc/75/59/07/563755907.db2.gz GUPZMIKAEOIVHL-PBHICJAKSA-N 2 0 382.346 2.893 20 0 GFADRP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000563305964 564185490 /nfs/dbraw/zinc/18/54/90/564185490.db2.gz HZPJHIHATQCBFQ-WQGACYEGSA-N 2 0 378.460 2.927 20 0 GFADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1cc(Br)ccc1F ZINC000449600969 564191968 /nfs/dbraw/zinc/19/19/68/564191968.db2.gz QAUGCQZSGCBGEL-IAOVAPTHSA-N 2 0 385.321 2.956 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449681581 564195853 /nfs/dbraw/zinc/19/58/53/564195853.db2.gz MCAGDCGOMRWKSK-WBAXXEDZSA-N 2 0 397.357 2.825 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccsc1Br ZINC000449826284 564205034 /nfs/dbraw/zinc/20/50/34/564205034.db2.gz RNLNVUMWORVKNK-CYBMUJFWSA-N 2 0 388.375 2.999 20 0 GFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000542691292 564320543 /nfs/dbraw/zinc/32/05/43/564320543.db2.gz PSDJUXQISDCZRN-UHFFFAOYSA-N 2 0 383.334 2.853 20 0 GFADRP CCn1cc(Br)cc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000512361404 564398902 /nfs/dbraw/zinc/39/89/02/564398902.db2.gz BCENOIDWCYANSI-MRXNPFEDSA-N 2 0 399.377 2.759 20 0 GFADRP C[NH+](C)C1CCC([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000513661116 564436114 /nfs/dbraw/zinc/43/61/14/564436114.db2.gz MUMNUARLWXJHPB-UHFFFAOYSA-N 2 0 378.318 2.992 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1Br ZINC000453380728 564456255 /nfs/dbraw/zinc/45/62/55/564456255.db2.gz RDWGMGHHZMZKJM-ILXVDBEPSA-N 2 0 399.373 2.927 20 0 GFADRP C[C@@H]1CC[N@H+](CC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)C1 ZINC000515669046 564484547 /nfs/dbraw/zinc/48/45/47/564484547.db2.gz USXBFVUSEDTATO-CQSZACIVSA-N 2 0 395.301 2.609 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000570565013 564512123 /nfs/dbraw/zinc/51/21/23/564512123.db2.gz ANISDMMBVGARSW-UHFFFAOYSA-N 2 0 378.851 2.899 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000516867651 564514364 /nfs/dbraw/zinc/51/43/64/564514364.db2.gz JWPQZJXWQPXOHL-SJORKVTESA-N 2 0 387.293 2.795 20 0 GFADRP CSC1(CNC(=O)N(CC[NH+](C)C)Cc2ccsc2)CC[NH+](C)CC1 ZINC000458793455 564718787 /nfs/dbraw/zinc/71/87/87/564718787.db2.gz SOKWUULUYGEJPU-UHFFFAOYSA-N 2 0 384.615 2.649 20 0 GFADRP CN(C)c1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncc1Br ZINC000579203636 564745440 /nfs/dbraw/zinc/74/54/40/564745440.db2.gz IAQXKRMDOMKPGP-YOGCLGLASA-N 2 0 382.306 2.657 20 0 GFADRP C[C@H]1C[N@H+](CCOc2ccc(Br)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490699957 564780604 /nfs/dbraw/zinc/78/06/04/564780604.db2.gz OMWHIOVQYYGIMW-LPHOPBHVSA-N 2 0 396.373 2.786 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000529387060 564832838 /nfs/dbraw/zinc/83/28/38/564832838.db2.gz NJPYNPFKLSIQAE-ZQIUZPCESA-N 2 0 385.339 2.847 20 0 GFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000560971173 564980184 /nfs/dbraw/zinc/98/01/84/564980184.db2.gz UCEXUDKEZFBTGG-BQIGGSFXSA-N 2 0 394.357 2.891 20 0 GFADRP COc1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(Br)c1O ZINC000657572846 565110264 /nfs/dbraw/zinc/11/02/64/565110264.db2.gz IAHWYFBSCBUMLO-ZDUSSCGKSA-N 2 0 388.350 2.525 20 0 GFADRP Brc1cnc2c(CN3CC[C@@H](C[NH+]4CCCCC4)C3)cnn2c1 ZINC000638122155 565184953 /nfs/dbraw/zinc/18/49/53/565184953.db2.gz LPXAHONQJNUJFX-AWEZNQCLSA-N 2 0 378.318 2.800 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000638831483 565214007 /nfs/dbraw/zinc/21/40/07/565214007.db2.gz LQCCYIHFRBKJOQ-LSDHHAIUSA-N 2 0 375.460 2.519 20 0 GFADRP COc1cc2[nH+]ccc(NCCC[NH+]3CCC(O)CC3)c2cc1Br ZINC000663402044 565418040 /nfs/dbraw/zinc/41/80/40/565418040.db2.gz CGMUCIHTWNXGGU-UHFFFAOYSA-N 2 0 394.313 2.687 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(C)cc2Br)CC1 ZINC000663502825 565423890 /nfs/dbraw/zinc/42/38/90/565423890.db2.gz CAOYPJIUCQEJJP-UHFFFAOYSA-N 2 0 382.346 2.838 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2C)CC1 ZINC000663503418 565424191 /nfs/dbraw/zinc/42/41/91/565424191.db2.gz HISQEOLUKRJSQO-UHFFFAOYSA-N 2 0 382.346 2.838 20 0 GFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000643540896 565435697 /nfs/dbraw/zinc/43/56/97/565435697.db2.gz PDWAJXMVEAVPCQ-CBYVUKHWSA-N 2 0 399.354 2.773 20 0 GFADRP CN(CCC[NH+](C)C)CCNc1ncnc2cc(F)c(Br)cc21 ZINC000664247809 565456446 /nfs/dbraw/zinc/45/64/46/565456446.db2.gz IOSNQHUXWYLXDL-UHFFFAOYSA-N 2 0 384.297 2.827 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ncc(Br)s2)CC1 ZINC000665287707 565495896 /nfs/dbraw/zinc/49/58/96/565495896.db2.gz RWAHSFGASKHVII-NSHDSACASA-N 2 0 389.363 2.547 20 0 GFADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000623888617 565534311 /nfs/dbraw/zinc/53/43/11/565534311.db2.gz NHLATHLZDJAWRU-LSDHHAIUSA-N 2 0 382.346 2.996 20 0 GFADRP O=C1CC[C@@H]([NH2+]Cc2cnc(-c3ccsc3)s2)[C@H](C2CC[NH2+]CC2)N1 ZINC000666912836 565562309 /nfs/dbraw/zinc/56/23/09/565562309.db2.gz DUSOIYDLMQAJKP-WBVHZDCISA-N 2 0 376.551 2.608 20 0 GFADRP C[N@@H+]1CC[C@]2(CCN([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446875 565631038 /nfs/dbraw/zinc/63/10/38/565631038.db2.gz WHUOKSOEGDEOGB-AEFFLSMTSA-N 2 0 378.314 2.730 20 0 GFADRP Cc1c(Br)cncc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000668166978 565631109 /nfs/dbraw/zinc/63/11/09/565631109.db2.gz OHNOXLUQURFLPC-JWTNVVGKSA-N 2 0 393.373 2.895 20 0 GFADRP O[C@@H](C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C[NH+]1CCCC1 ZINC000629560084 565858767 /nfs/dbraw/zinc/85/87/67/565858767.db2.gz WXOKCCHXBKBDDV-SFHVURJKSA-N 2 0 397.357 2.544 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCc1cccc(Br)c1 ZINC000675454670 565903675 /nfs/dbraw/zinc/90/36/75/565903675.db2.gz NAGCOIKFKAQKQP-UHFFFAOYSA-N 2 0 384.362 2.724 20 0 GFADRP Cc1cc(Br)cn2c(C[NH2+]CCCN3CCC[N@@H+](C)CC3)cnc12 ZINC000680119391 566063617 /nfs/dbraw/zinc/06/36/17/566063617.db2.gz DCZCOHIRHRRXGK-UHFFFAOYSA-N 2 0 394.361 2.522 20 0 GFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000655805178 566090081 /nfs/dbraw/zinc/09/00/81/566090081.db2.gz KAIXUSVWRJMUOE-OSAQELSMSA-N 2 0 387.343 2.597 20 0 GFADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccccc1Cl ZINC000655914412 566095420 /nfs/dbraw/zinc/09/54/20/566095420.db2.gz YYGQBTHURSZYPS-KGLIPLIRSA-N 2 0 380.842 2.912 20 0 GFADRP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000635007304 566188357 /nfs/dbraw/zinc/18/83/57/566188357.db2.gz VYJUZUIWCKEBOJ-QKDSSNGWSA-N 2 0 377.326 2.834 20 0 GFADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)C[C@H](C)O1 ZINC000820759104 606209855 /nfs/dbraw/zinc/20/98/55/606209855.db2.gz HDZJVTDKFDOYND-GJZGRUSLSA-N 2 0 398.536 2.827 20 0 GFADRP CN(c1ccccc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](C)CC1 ZINC000821621935 607129242 /nfs/dbraw/zinc/12/92/42/607129242.db2.gz LYRYZWNSBDEGIF-UHFFFAOYSA-N 2 0 391.523 2.687 20 0 GFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825870309 608507174 /nfs/dbraw/zinc/50/71/74/608507174.db2.gz GIGKYBQLVMHMAC-HXUWFJFHSA-N 2 0 392.507 2.974 20 0 GFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824607229 609333359 /nfs/dbraw/zinc/33/33/59/609333359.db2.gz WDIKLUKPWOBJGW-OAHLLOKOSA-N 2 0 398.486 2.840 20 0 GFADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000819084757 660246061 /nfs/dbraw/zinc/24/60/61/660246061.db2.gz OONSLQJTQPEHKX-KDOFPFPSSA-N 2 0 383.330 2.573 20 0 GFADRP C[C@H]1CN(C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000822797815 660354608 /nfs/dbraw/zinc/35/46/08/660354608.db2.gz LWBVTIQZYZUARQ-KYNGSXCRSA-N 2 0 386.367 2.985 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1csc(Br)c1 ZINC000037846285 654615902 /nfs/dbraw/zinc/61/59/02/654615902.db2.gz QYLOYHILCSMJCJ-UHFFFAOYSA-N 2 0 376.364 2.856 20 0 GFADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@@H+]1C ZINC000127071590 654824113 /nfs/dbraw/zinc/82/41/13/654824113.db2.gz JXDNFXDGDNROFQ-JKSUJKDBSA-N 2 0 385.599 2.538 20 0 GFADRP C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1Br ZINC000128021400 654839726 /nfs/dbraw/zinc/83/97/26/654839726.db2.gz JNOWXLLDUFFLLP-OLZOCXBDSA-N 2 0 386.309 2.826 20 0 GFADRP C[NH+]1CCC(NC(=S)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000063145509 654849645 /nfs/dbraw/zinc/84/96/45/654849645.db2.gz NYMPWEMMWZSRDH-UHFFFAOYSA-N 2 0 380.989 2.863 20 0 GFADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000261737803 655442056 /nfs/dbraw/zinc/44/20/56/655442056.db2.gz NRZOXCAUCJYMBY-AWEZNQCLSA-N 2 0 382.346 2.948 20 0 GFADRP O[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000264167852 655458277 /nfs/dbraw/zinc/45/82/77/655458277.db2.gz XZKVGUSATIULGX-GOSISDBHSA-N 2 0 383.330 2.527 20 0 GFADRP O=C(C[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1)N1CC[NH2+]CC1 ZINC000577839728 655468172 /nfs/dbraw/zinc/46/81/72/655468172.db2.gz MSEZJRKJFVUHSI-MRXNPFEDSA-N 2 0 386.721 2.575 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580075321 655508052 /nfs/dbraw/zinc/50/80/52/655508052.db2.gz DTPWRMFBLJRCML-OIISXLGYSA-N 2 0 394.357 2.727 20 0 GFADRP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841045503 661229434 /nfs/dbraw/zinc/22/94/34/661229434.db2.gz WXRUWKSWNVQWFQ-UHFFFAOYSA-N 2 0 382.339 2.541 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2nc(Br)cs2)CC1 ZINC000854231575 661919805 /nfs/dbraw/zinc/91/98/05/661919805.db2.gz KYQCTHUJWGMAFG-NSHDSACASA-N 2 0 389.363 2.547 20 0 GFADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000863549362 662336185 /nfs/dbraw/zinc/33/61/85/662336185.db2.gz BIHNVDPYYNMSER-SJORKVTESA-N 2 0 381.929 2.689 20 0 GFADRP Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)c1Br ZINC000870019539 662671457 /nfs/dbraw/zinc/67/14/57/662671457.db2.gz ICZWJJCHJGINAX-HZPDHXFCSA-N 2 0 396.373 2.877 20 0 GFADRP Cc1csc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1Br ZINC000870019963 662671460 /nfs/dbraw/zinc/67/14/60/662671460.db2.gz XEDWCFRSFRXBTG-CHWSQXEVSA-N 2 0 388.375 2.630 20 0 GFADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000872148960 662756784 /nfs/dbraw/zinc/75/67/84/662756784.db2.gz LTYMRYAIBGNWLF-ZWNOBZJWSA-N 2 0 394.235 2.847 20 0 GFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1nc(Cl)ccc1Br ZINC000877040476 662870012 /nfs/dbraw/zinc/87/00/12/662870012.db2.gz DAZSKAFZQUBSMB-LBPRGKRZSA-N 2 0 376.726 2.824 20 0 GFADRP C[NH+](C)C[C@@H]1CN(c2ncc(Br)c3cccnc32)C[C@H]1C[NH+](C)C ZINC000894870294 663485886 /nfs/dbraw/zinc/48/58/86/663485886.db2.gz DZIYJSVHMBQMBM-ZIAGYGMSSA-N 2 0 392.345 2.568 20 0 GFADRP C[C@]1(Br)C[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000894933026 663489638 /nfs/dbraw/zinc/48/96/38/663489638.db2.gz QASUWABXLHXGJM-HKUYNNGSSA-N 2 0 394.357 2.647 20 0 GFADRP C[NH2+][C@@H](C)Cc1noc(C2(c3ccc(Br)cc3)CC[NH2+]CC2)n1 ZINC000900008658 663706371 /nfs/dbraw/zinc/70/63/71/663706371.db2.gz OGDYNAMARVTHST-LBPRGKRZSA-N 2 0 379.302 2.652 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000902319426 663759025 /nfs/dbraw/zinc/75/90/25/663759025.db2.gz LDQQKDNIYIGZLN-HNNXBMFYSA-N 2 0 387.615 2.689 20 0 GFADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCc2ccc(Br)cc2)cnn1C ZINC000903890311 663810052 /nfs/dbraw/zinc/81/00/52/663810052.db2.gz BXXVOAWVHOHNOC-INIZCTEOSA-N 2 0 379.346 2.783 20 0 GFADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956432 663813646 /nfs/dbraw/zinc/81/36/46/663813646.db2.gz LOLHVPNMGPLRGF-VXGBXAGGSA-N 2 0 375.847 2.900 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500490 664631326 /nfs/dbraw/zinc/63/13/26/664631326.db2.gz RLOPHSRDTSOWAY-IIAWOOMASA-N 2 0 382.346 2.713 20 0 GFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924629082 664659106 /nfs/dbraw/zinc/65/91/06/664659106.db2.gz MOSAAXLSSDIJFD-QGZVFWFLSA-N 2 0 381.362 2.837 20 0 GFADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834439 720504973 /nfs/dbraw/zinc/50/49/73/720504973.db2.gz GMRFXGLBOJTXGJ-HSALFYBXSA-N 2 0 397.571 2.815 20 0 GFADRP c1cc2c(cc[nH+]c2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH]1 ZINC001164740685 720812892 /nfs/dbraw/zinc/81/28/92/720812892.db2.gz ADDNSXPAAKQUGI-MBOZVWFJSA-N 2 0 377.496 2.534 20 0 GFADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N)c(C)c[nH+]1)CC2 ZINC001164791725 721465142 /nfs/dbraw/zinc/46/51/42/721465142.db2.gz XZUYWCFSAMKFQS-IBGZPJMESA-N 2 0 388.556 2.706 20 0 GFADRP CCOc1cc[nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164964225 722055590 /nfs/dbraw/zinc/05/55/90/722055590.db2.gz TVDMDGOXBJIHQX-UHFFFAOYSA-N 2 0 382.508 2.994 20 0 GFADRP Cc1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1C1C[NH2+]C1 ZINC001164998492 722214041 /nfs/dbraw/zinc/21/40/41/722214041.db2.gz WBORWSMZFVYLCO-QFIPXVFZSA-N 2 0 381.499 2.856 20 0 GFADRP C[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)N1CCSCC1 ZINC000129836387 551360107 /nfs/dbraw/zinc/36/01/07/551360107.db2.gz OSLUNCABSZUXJZ-OAUYIBNBSA-N 2 0 385.936 2.778 20 0 GFADRP CCC[C@H]([NH3+])C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000169225895 551634863 /nfs/dbraw/zinc/63/48/63/551634863.db2.gz XYZXONBGUBGEQJ-KRWDZBQOSA-N 2 0 398.345 2.536 20 0 GFADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000179469407 552194143 /nfs/dbraw/zinc/19/41/43/552194143.db2.gz MWBIKCZAFOSXPB-CQSZACIVSA-N 2 0 378.318 2.935 20 0 GFADRP CC(C)[NH+](CCO)Cc1cc(Br)ccc1C[N@@H+](CCO)C(C)C ZINC000192070858 552548739 /nfs/dbraw/zinc/54/87/39/552548739.db2.gz DSOZXTXVBJGCQJ-UHFFFAOYSA-N 2 0 387.362 2.855 20 0 GFADRP O=C(C[C@@H]1CSCC[NH2+]1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000237877067 553083603 /nfs/dbraw/zinc/08/36/03/553083603.db2.gz WAUUDRBIFLKZAU-QGZVFWFLSA-N 2 0 381.973 2.763 20 0 GFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261885028 553161893 /nfs/dbraw/zinc/16/18/93/553161893.db2.gz ZPWKHAQOBXVNLR-AEFFLSMTSA-N 2 0 382.346 2.956 20 0 GFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000370486061 563245729 /nfs/dbraw/zinc/24/57/29/563245729.db2.gz VOHCDPXMWODYHX-NXHRZFHOSA-N 2 0 399.377 2.905 20 0 GFADRP C[C@H]1CN(Cc2cc(O)ccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370697768 563252578 /nfs/dbraw/zinc/25/25/78/563252578.db2.gz MHKAHRGGHVYDRY-KSSFIOAISA-N 2 0 382.346 2.613 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422789673 563350181 /nfs/dbraw/zinc/35/01/81/563350181.db2.gz BKVHAJXOMVAFRG-NKGKWGDASA-N 2 0 383.330 2.963 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900598 563350186 /nfs/dbraw/zinc/35/01/86/563350186.db2.gz QTZQCVTXBMYXKA-USJZOSNVSA-N 2 0 382.346 2.617 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000423057452 563353675 /nfs/dbraw/zinc/35/36/75/563353675.db2.gz ZTQIFNXNRVPJCR-PBHICJAKSA-N 2 0 398.345 2.596 20 0 GFADRP Brc1cccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423089828 563354631 /nfs/dbraw/zinc/35/46/31/563354631.db2.gz TUKMAGDYFYRIEA-GDAAHCPNSA-N 2 0 394.357 2.775 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(I)cc1Cl ZINC000423092175 563354905 /nfs/dbraw/zinc/35/49/05/563354905.db2.gz AUTLBNMWVXZCLC-LBPRGKRZSA-N 2 0 382.673 2.788 20 0 GFADRP Cc1cn2c(n1)[C@@H](C[NH2+]Cc1ncc(I)s1)CCC2 ZINC000375786798 563418471 /nfs/dbraw/zinc/41/84/71/563418471.db2.gz FRYZCRWQLKECEU-SNVBAGLBSA-N 2 0 388.278 2.920 20 0 GFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000285525683 563525222 /nfs/dbraw/zinc/52/52/22/563525222.db2.gz RYKLHXYOJRFSBP-IBGZPJMESA-N 2 0 398.389 2.662 20 0 GFADRP O=C([C@@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1)N1CC[NH2+]CC1 ZINC000430607370 563546502 /nfs/dbraw/zinc/54/65/02/563546502.db2.gz YKNOYRQHUNXEKK-CQSZACIVSA-N 2 0 386.323 2.516 20 0 GFADRP O=C([C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1)N1CC[NH2+]CC1 ZINC000430637406 563546617 /nfs/dbraw/zinc/54/66/17/563546617.db2.gz BCCKLSFTGHOTGO-AWEZNQCLSA-N 2 0 386.323 2.516 20 0 GFADRP COCc1c(Br)cccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433152805 563604659 /nfs/dbraw/zinc/60/46/59/563604659.db2.gz SYSUTMHTLYBLLL-UHFFFAOYSA-N 2 0 384.318 2.737 20 0 GFADRP [NH3+]CCCOC1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000435387880 563648838 /nfs/dbraw/zinc/64/88/38/563648838.db2.gz BNPHJRKNNPYGHB-UHFFFAOYSA-N 2 0 384.311 2.904 20 0 GFADRP Fc1cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Br ZINC000414966759 563755115 /nfs/dbraw/zinc/75/51/15/563755115.db2.gz DVMQXNAIRLRFEM-CYBMUJFWSA-N 2 0 384.215 2.514 20 0 GFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414970107 563755314 /nfs/dbraw/zinc/75/53/14/563755314.db2.gz JYCBZPLLYJSRTM-DOMZBBRYSA-N 2 0 394.279 2.806 20 0 GFADRP Fc1ccc(Br)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414991631 563756059 /nfs/dbraw/zinc/75/60/59/563756059.db2.gz SOZWRUWSIRPVSN-CYBMUJFWSA-N 2 0 384.215 2.514 20 0 GFADRP COc1cc(C[NH2+][C@@H](C)CCC[NH3+])cc(I)c1OC ZINC000415026806 563756782 /nfs/dbraw/zinc/75/67/82/563756782.db2.gz VNGDFFGGXUDRLL-JTQLQIEISA-N 2 0 378.254 2.525 20 0 GFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367886432 563858585 /nfs/dbraw/zinc/85/85/85/563858585.db2.gz OPEPUTLTXSOYKS-HYVNUMGLSA-N 2 0 385.350 2.515 20 0 GFADRP CCS(=O)(=O)N(C)CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449080662 563906441 /nfs/dbraw/zinc/90/64/41/563906441.db2.gz YCVZGMZBDHKOKP-UHFFFAOYSA-N 2 0 375.623 2.927 20 0 GFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(I)cc2)CCCO1 ZINC000449281086 564178894 /nfs/dbraw/zinc/17/88/94/564178894.db2.gz CDHNPHXWTGNLTG-AWEZNQCLSA-N 2 0 388.293 2.882 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000449597165 564190574 /nfs/dbraw/zinc/19/05/74/564190574.db2.gz DFMAITUSRKIQTN-KYJSFNMBSA-N 2 0 399.373 2.929 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000449604687 564192008 /nfs/dbraw/zinc/19/20/08/564192008.db2.gz XYCMIYLPPJTABC-BBWFWOEESA-N 2 0 397.357 2.825 20 0 GFADRP CN(CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)CC(F)(F)F ZINC000539951445 564234492 /nfs/dbraw/zinc/23/44/92/564234492.db2.gz VLBWKTBOLWCGSW-UHFFFAOYSA-N 2 0 378.870 2.676 20 0 GFADRP Cc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1Br ZINC000565552719 564286463 /nfs/dbraw/zinc/28/64/63/564286463.db2.gz FYHWCPKDSCLZRF-UHFFFAOYSA-N 2 0 382.346 2.839 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000567650891 564381195 /nfs/dbraw/zinc/38/11/95/564381195.db2.gz YCXIPTQLPMMRLL-UHFFFAOYSA-N 2 0 394.304 2.976 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453090244 564446629 /nfs/dbraw/zinc/44/66/29/564446629.db2.gz BVRRVEFTDHZZRS-HNAYVOBHSA-N 2 0 380.374 2.996 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000453387116 564456317 /nfs/dbraw/zinc/45/63/17/564456317.db2.gz WBTCXEXDUNJOIN-CWRNSKLLSA-N 2 0 385.346 2.681 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Br)c(F)cc1F ZINC000525972852 564714693 /nfs/dbraw/zinc/71/46/93/564714693.db2.gz RQMYAQROEJNDGS-UHFFFAOYSA-N 2 0 393.276 2.684 20 0 GFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527654936 564752675 /nfs/dbraw/zinc/75/26/75/564752675.db2.gz XHJHCPODGHVASI-UHFFFAOYSA-N 2 0 389.769 2.861 20 0 GFADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCc1cccc(Cl)c1Cl ZINC000580714895 564771082 /nfs/dbraw/zinc/77/10/82/564771082.db2.gz NFDWNJZJSVDECK-JKSUJKDBSA-N 2 0 384.351 2.974 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000529389184 564832893 /nfs/dbraw/zinc/83/28/93/564832893.db2.gz SYLVAHKPLMQCIT-KEYYUXOJSA-N 2 0 385.339 2.847 20 0 GFADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000557449391 564864343 /nfs/dbraw/zinc/86/43/43/564864343.db2.gz SQZNYZVEQYJEEX-CYBMUJFWSA-N 2 0 380.330 2.843 20 0 GFADRP Brc1ccccc1OCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242853 564872968 /nfs/dbraw/zinc/87/29/68/564872968.db2.gz VHTSNCJGFKWQRC-MRXNPFEDSA-N 2 0 383.330 2.918 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Br)cc2)C[C@@H]1C ZINC000531381813 564908818 /nfs/dbraw/zinc/90/88/18/564908818.db2.gz BGARLSIFCAOAGX-XIRDDKMYSA-N 2 0 385.346 2.993 20 0 GFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](CCO)c2ccccc2Br)CC1 ZINC000501055706 564969522 /nfs/dbraw/zinc/96/95/22/564969522.db2.gz QGVUZKABPIZUMR-IBGZPJMESA-N 2 0 398.389 2.878 20 0 GFADRP COCCC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000562987866 565051512 /nfs/dbraw/zinc/05/15/12/565051512.db2.gz STIFDGBFEFRZSM-UHFFFAOYSA-N 2 0 398.345 2.868 20 0 GFADRP Brc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000643496345 565434486 /nfs/dbraw/zinc/43/44/86/565434486.db2.gz BAMAJSASGDFOMC-ROUUACIJSA-N 2 0 382.346 2.554 20 0 GFADRP CN(CCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)CC[NH+](C)C ZINC000623088095 565494804 /nfs/dbraw/zinc/49/48/04/565494804.db2.gz WEDZVFHRMFCAIA-UHFFFAOYSA-N 2 0 394.361 2.812 20 0 GFADRP C[N@@H+]1CC[C@@]2(CCN([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446877 565630940 /nfs/dbraw/zinc/63/09/40/565630940.db2.gz WHUOKSOEGDEOGB-FUHWJXTLSA-N 2 0 378.314 2.730 20 0 GFADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000647797768 565677177 /nfs/dbraw/zinc/67/71/77/565677177.db2.gz BPRRSWYFPMXEHF-XLAORIBOSA-N 2 0 381.358 2.886 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000669519545 565691375 /nfs/dbraw/zinc/69/13/75/565691375.db2.gz IAYOYPQNXNRZQU-SPYBWZPUSA-N 2 0 394.357 2.861 20 0 GFADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000671099092 565751363 /nfs/dbraw/zinc/75/13/63/565751363.db2.gz ODUAOFFRFANIEN-OAGGEKHMSA-N 2 0 384.362 2.957 20 0 GFADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000671099093 565752076 /nfs/dbraw/zinc/75/20/76/565752076.db2.gz ODUAOFFRFANIEN-OWCLPIDISA-N 2 0 384.362 2.957 20 0 GFADRP COc1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc(Br)c1OC ZINC000655724831 566084235 /nfs/dbraw/zinc/08/42/35/566084235.db2.gz HRTXFWMBSBFMCF-HNNXBMFYSA-N 2 0 399.329 2.809 20 0 GFADRP [NH3+]C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(F)(F)F ZINC000655912489 566094838 /nfs/dbraw/zinc/09/48/38/566094838.db2.gz OWPCFWPCGKQHQM-KGLIPLIRSA-N 2 0 378.826 2.666 20 0 GFADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655930749 566097169 /nfs/dbraw/zinc/09/71/69/566097169.db2.gz UBARLQKNQWZNEU-ZIAGYGMSSA-N 2 0 380.842 2.912 20 0 GFADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736453522 598916967 /nfs/dbraw/zinc/91/69/67/598916967.db2.gz PIOPRAYAAGSZLX-UHFFFAOYSA-N 2 0 399.543 2.639 20 0 GFADRP C[NH+](C)CCOc1ccc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000825870555 607705687 /nfs/dbraw/zinc/70/56/87/607705687.db2.gz QYVYBUOCPNIDLR-UHFFFAOYSA-N 2 0 378.480 2.586 20 0 GFADRP c1cc(-c2nn[nH]n2)sc1C[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000826521750 608136073 /nfs/dbraw/zinc/13/60/73/608136073.db2.gz XOWZYISUVOZTKL-SZMVWBNQSA-N 2 0 380.521 2.928 20 0 GFADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000824094435 608287661 /nfs/dbraw/zinc/28/76/61/608287661.db2.gz VAQRURGGPSGUJV-UHFFFAOYSA-N 2 0 399.543 2.804 20 0 GFADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822625438 660350196 /nfs/dbraw/zinc/35/01/96/660350196.db2.gz AQVZATYUKMWBQH-HNNXBMFYSA-N 2 0 378.388 2.986 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1I ZINC000268885226 654990029 /nfs/dbraw/zinc/99/00/29/654990029.db2.gz NRNIOVLRDHPAJF-KBPBESRZSA-N 2 0 387.309 2.578 20 0 GFADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000262006733 655443395 /nfs/dbraw/zinc/44/33/95/655443395.db2.gz FCWWGEZCILESAI-HNNXBMFYSA-N 2 0 398.370 2.740 20 0 GFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)cn2)CC1 ZINC000775376511 656633809 /nfs/dbraw/zinc/63/38/09/656633809.db2.gz AGGMLRSRAPEJRQ-ZIFCJYIRSA-N 2 0 378.611 2.693 20 0 GFADRP c1cc(N2CCN(CCC[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)cc[nH+]1 ZINC000775382556 656635562 /nfs/dbraw/zinc/63/55/62/656635562.db2.gz PJHNPLUKYXPZHA-CEXWTWQISA-N 2 0 378.611 2.563 20 0 GFADRP Cc1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1Br ZINC000870022174 662671611 /nfs/dbraw/zinc/67/16/11/662671611.db2.gz QBOFPTGKAAWTCY-HUUCEWRRSA-N 2 0 382.346 2.569 20 0 GFADRP [NH3+][C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc(Br)c1 ZINC000870894408 662707139 /nfs/dbraw/zinc/70/71/39/662707139.db2.gz SBXNQKSQTYLZKS-WMLDXEAASA-N 2 0 380.330 2.783 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872033923 662754325 /nfs/dbraw/zinc/75/43/25/662754325.db2.gz KGKXBGJHCVVCOW-HHXXYDBFSA-N 2 0 396.373 2.752 20 0 GFADRP C[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)N1CC[NH+](C)CC1 ZINC000872034690 662754468 /nfs/dbraw/zinc/75/44/68/662754468.db2.gz QQBOYVZILBNIJD-HHXXYDBFSA-N 2 0 396.373 2.752 20 0 GFADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000872152202 662756997 /nfs/dbraw/zinc/75/69/97/662756997.db2.gz OYYFSJPZKBUTPM-GXFFZTMASA-N 2 0 394.235 2.847 20 0 GFADRP CCOP(=O)(CCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)OCC ZINC000876697666 662864967 /nfs/dbraw/zinc/86/49/67/662864967.db2.gz WKGFWUZEHYSUNH-SFHVURJKSA-N 2 0 375.494 2.745 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000877760954 662883019 /nfs/dbraw/zinc/88/30/19/662883019.db2.gz OZJUPDOLSJRHGQ-RCCFBDPRSA-N 2 0 379.342 2.912 20 0 GFADRP COCC[C@H]([NH3+])C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000884308537 663068550 /nfs/dbraw/zinc/06/85/50/663068550.db2.gz UMDSUPMAJLTWFL-INIZCTEOSA-N 2 0 376.328 2.638 20 0 GFADRP C[NH+]1CCC(C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000891847576 663352715 /nfs/dbraw/zinc/35/27/15/663352715.db2.gz PONBTFYJWPYYIR-UHFFFAOYSA-N 2 0 380.330 2.549 20 0 GFADRP C[NH+]1CCN(CCC[NH2+]Cc2c(F)c(Cl)ccc2Br)CC1 ZINC000893323530 663407171 /nfs/dbraw/zinc/40/71/71/663407171.db2.gz FPFHBHQWGLYQHH-UHFFFAOYSA-N 2 0 378.717 2.969 20 0 GFADRP C[C@@H](Cc1ccccc1Br)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903921897 663811652 /nfs/dbraw/zinc/81/16/52/663811652.db2.gz SJDDBGRCLPZCIV-DZGCQCFKSA-N 2 0 378.318 2.686 20 0 GFADRP C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CC[NH2+]CC1 ZINC000923279577 664627279 /nfs/dbraw/zinc/62/72/79/664627279.db2.gz QIIZLNSGICHNET-ZDUSSCGKSA-N 2 0 377.710 2.526 20 0 GFADRP [NH3+]CCCOC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923296887 664627673 /nfs/dbraw/zinc/62/76/73/664627673.db2.gz KJPYDSLMJUQUTN-ZDUSSCGKSA-N 2 0 377.312 2.563 20 0 GFADRP C[C@@H](C[NH2+][C@H]1CCCc2ncc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000924954456 664664492 /nfs/dbraw/zinc/66/44/92/664664492.db2.gz WFYLZXOYYVLZHG-YOEHRIQHSA-N 2 0 381.362 2.695 20 0 GFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1nc(Br)ccc1F ZINC000925043470 664665888 /nfs/dbraw/zinc/66/58/88/664665888.db2.gz YQNRINDRSSFSAY-OLZOCXBDSA-N 2 0 385.325 2.802 20 0 GFADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850306 664675965 /nfs/dbraw/zinc/67/59/65/664675965.db2.gz IJVSAYHAUNTMTI-GXTWGEPZSA-N 2 0 399.304 2.794 20 0 GFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Br ZINC000925853701 664676009 /nfs/dbraw/zinc/67/60/09/664676009.db2.gz KOTQVCLOLSYVSK-OCCSQVGLSA-N 2 0 397.313 2.794 20 0 GFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(Br)c1 ZINC000925852577 664676059 /nfs/dbraw/zinc/67/60/59/664676059.db2.gz CQGWIRHEBKESNB-GXTWGEPZSA-N 2 0 397.313 2.794 20 0 GFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]2C1 ZINC000931442234 664795120 /nfs/dbraw/zinc/79/51/20/664795120.db2.gz ZGEZNOXZWZJCTA-JKIFEVAISA-N 2 0 378.314 2.586 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1nccc2c(Br)cccc21 ZINC000932034968 664809321 /nfs/dbraw/zinc/80/93/21/664809321.db2.gz OSHPXSSHMRITGJ-UHFFFAOYSA-N 2 0 393.329 2.563 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164827187 720323114 /nfs/dbraw/zinc/32/31/14/720323114.db2.gz HBOCBGCMROCUQA-WOJBJXKFSA-N 2 0 386.540 2.780 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)c2)CC1 ZINC001164784313 721434983 /nfs/dbraw/zinc/43/49/83/721434983.db2.gz LAZBAYRWLKWZOX-IAGOWNOFSA-N 2 0 399.564 2.579 20 0 GFADRP COc1ccc(Br)cc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000185889368 552373497 /nfs/dbraw/zinc/37/34/97/552373497.db2.gz KWIATPACLDQVAP-UHFFFAOYSA-N 2 0 384.362 2.963 20 0 GFADRP Cc1cc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)sc1Cl ZINC000191825232 552539622 /nfs/dbraw/zinc/53/96/22/552539622.db2.gz DVRCNGOZHWYYDU-UHFFFAOYSA-N 2 0 381.995 2.604 20 0 GFADRP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261972592 553163178 /nfs/dbraw/zinc/16/31/78/553163178.db2.gz ZFIMLKAUTZBPNZ-DOTOQJQBSA-N 2 0 380.330 2.529 20 0 GFADRP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261972595 553163549 /nfs/dbraw/zinc/16/35/49/553163549.db2.gz ZFIMLKAUTZBPNZ-NVXWUHKLSA-N 2 0 380.330 2.529 20 0 GFADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418584579 563220629 /nfs/dbraw/zinc/22/06/29/563220629.db2.gz CFRIFFVPGKOHPI-PBHICJAKSA-N 2 0 397.361 2.520 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418589148 563220794 /nfs/dbraw/zinc/22/07/94/563220794.db2.gz SKNATSCXIJYDJN-SJORKVTESA-N 2 0 397.361 2.792 20 0 GFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000422696781 563348442 /nfs/dbraw/zinc/34/84/42/563348442.db2.gz SLBPQCLQDBOUFX-NSHDSACASA-N 2 0 377.286 2.901 20 0 GFADRP CC[C@@H]([NH2+]CCCNC(=O)c1cc(OC)ccc1Br)[C@@H]1CCC[NH2+]1 ZINC000422912082 563350941 /nfs/dbraw/zinc/35/09/41/563350941.db2.gz VIFVSMHUJWXKOX-SJORKVTESA-N 2 0 398.345 2.698 20 0 GFADRP COc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc(Br)c1OC ZINC000422948241 563351489 /nfs/dbraw/zinc/35/14/89/563351489.db2.gz RNXGAGKUWSQOEJ-NUEKZKHPSA-N 2 0 399.329 2.713 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(OC)ccc2Br)CC[NH2+]CC1 ZINC000422943548 563351504 /nfs/dbraw/zinc/35/15/04/563351504.db2.gz YCXHWRNGABDSNS-ZDUSSCGKSA-N 2 0 399.329 2.869 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422938655 563351760 /nfs/dbraw/zinc/35/17/60/563351760.db2.gz DUMQLUSOQGCXHT-TVYUQYBPSA-N 2 0 379.245 2.892 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]CCNc2cccc(Br)c2)CC[NH2+]CC1 ZINC000422965090 563352331 /nfs/dbraw/zinc/35/23/31/563352331.db2.gz NQETUZUQSYGTTJ-AWEZNQCLSA-N 2 0 398.345 2.772 20 0 GFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423460422 563361191 /nfs/dbraw/zinc/36/11/91/563361191.db2.gz BCZOKARTASLRMP-HBNTYKKESA-N 2 0 380.341 2.809 20 0 GFADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000430966247 563551064 /nfs/dbraw/zinc/55/10/64/563551064.db2.gz OGXNYCGKNNVILR-ZIAGYGMSSA-N 2 0 382.346 2.855 20 0 GFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414282557 563724834 /nfs/dbraw/zinc/72/48/34/563724834.db2.gz HQOQEQMQSGYJIH-HUUCEWRRSA-N 2 0 387.977 2.835 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000414827270 563753381 /nfs/dbraw/zinc/75/33/81/563753381.db2.gz KGEAXWLSPRMRGS-OAHLLOKOSA-N 2 0 394.357 2.951 20 0 GFADRP C[NH2+]C[C@H](C)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414833724 563753826 /nfs/dbraw/zinc/75/38/26/563753826.db2.gz GSIAYVDBYNSWGF-ZDUSSCGKSA-N 2 0 382.346 2.807 20 0 GFADRP COCC1(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[NH2+]CC1 ZINC000414972935 563755419 /nfs/dbraw/zinc/75/54/19/563755419.db2.gz KKJRWTZQAJRYSC-UHFFFAOYSA-N 2 0 384.311 2.680 20 0 GFADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062702 563790275 /nfs/dbraw/zinc/79/02/75/563790275.db2.gz VCRMDSDVKBWMCT-GJZGRUSLSA-N 2 0 382.346 2.857 20 0 GFADRP [NH3+]CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000415997224 563801883 /nfs/dbraw/zinc/80/18/83/563801883.db2.gz RBPRTBPJOFFQJK-TZMCWYRMSA-N 2 0 378.464 2.539 20 0 GFADRP C[NH+](C)C/C=C/C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000368186075 563866399 /nfs/dbraw/zinc/86/63/99/563866399.db2.gz OYLMYQZTHYWBBX-RMKNXTFCSA-N 2 0 394.357 2.990 20 0 GFADRP C[C@@H](C[NH2+]Cc1ccnc2c(Br)cccc12)N1CC[NH+](C)CC1 ZINC000449134854 563907303 /nfs/dbraw/zinc/90/73/03/563907303.db2.gz LVDZCJWDMZVYQO-AWEZNQCLSA-N 2 0 377.330 2.723 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1csc2ccccc21 ZINC000508893594 564275850 /nfs/dbraw/zinc/27/58/50/564275850.db2.gz JNKPRTAPVBNPQF-UHFFFAOYSA-N 2 0 383.583 2.795 20 0 GFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474724607 564286800 /nfs/dbraw/zinc/28/68/00/564286800.db2.gz BZRKJYQQFUWZFI-IXDOHACOSA-N 2 0 386.005 2.873 20 0 GFADRP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000565885973 564300673 /nfs/dbraw/zinc/30/06/73/564300673.db2.gz CZOUIAQTUMKHAE-GFCCVEGCSA-N 2 0 378.929 2.854 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000451992810 564378054 /nfs/dbraw/zinc/37/80/54/564378054.db2.gz UUOHODBUKPNRNG-UHFFFAOYSA-N 2 0 387.355 2.938 20 0 GFADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000567605303 564379657 /nfs/dbraw/zinc/37/96/57/564379657.db2.gz MXVKLBJWZOOGEN-DOTOQJQBSA-N 2 0 385.346 2.756 20 0 GFADRP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000574069971 564667238 /nfs/dbraw/zinc/66/72/38/564667238.db2.gz NQIHYEDPQSVUQP-KZNAEPCWSA-N 2 0 385.961 2.519 20 0 GFADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Br)s1 ZINC000525962792 564714488 /nfs/dbraw/zinc/71/44/88/564714488.db2.gz IXIJQFIRTZMRJF-GFCCVEGCSA-N 2 0 391.379 2.706 20 0 GFADRP C[C@@H](C[NH2+][C@H]1CCc2cccc(Br)c2C1)CN1CC[NH+](C)CC1 ZINC000555537741 564796885 /nfs/dbraw/zinc/79/68/85/564796885.db2.gz VRTZKZXRZLNHQI-RDJZCZTQSA-N 2 0 380.374 2.780 20 0 GFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555550145 564797776 /nfs/dbraw/zinc/79/77/76/564797776.db2.gz JQPXOKKFZLNTJL-DLBZAZTESA-N 2 0 381.358 2.989 20 0 GFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1(C)C ZINC000555586895 564798585 /nfs/dbraw/zinc/79/85/85/564798585.db2.gz JXWINBWPZCLZBI-MRXNPFEDSA-N 2 0 380.374 2.922 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000529386364 564833134 /nfs/dbraw/zinc/83/31/34/564833134.db2.gz MXXRSVRUSIXMCP-XKQJLSEDSA-N 2 0 385.339 2.990 20 0 GFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000582296308 564839922 /nfs/dbraw/zinc/83/99/22/564839922.db2.gz DNLFXTHCFIPMFP-ARFHVFGLSA-N 2 0 389.309 2.790 20 0 GFADRP Cc1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(Br)s1 ZINC000557627758 564870800 /nfs/dbraw/zinc/87/08/00/564870800.db2.gz KNBWARVQICBXGE-UHFFFAOYSA-N 2 0 391.379 2.560 20 0 GFADRP O=C(C[C@H]1CSCC[NH2+]1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000583747575 564906128 /nfs/dbraw/zinc/90/61/28/564906128.db2.gz IABNPTKQZAPYLD-SFHVURJKSA-N 2 0 381.973 2.860 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCc1ccc(Br)s1 ZINC000531358033 564907808 /nfs/dbraw/zinc/90/78/08/564907808.db2.gz YVBFSKQGOCXYLR-UHFFFAOYSA-N 2 0 390.391 2.785 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(Br)cc1 ZINC000499524116 564929969 /nfs/dbraw/zinc/92/99/69/564929969.db2.gz UJBGLGPQGHUKED-SFHVURJKSA-N 2 0 396.373 2.866 20 0 GFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000662594465 565379924 /nfs/dbraw/zinc/37/99/24/565379924.db2.gz TWZYVJKVPOGKQA-FZKQIMNGSA-N 2 0 382.346 2.860 20 0 GFADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466023 565422703 /nfs/dbraw/zinc/42/27/03/565422703.db2.gz NDBNINFGEIDZME-GOEBONIOSA-N 2 0 382.346 2.711 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc(C2CC2)ncc1Br ZINC000663684446 565430453 /nfs/dbraw/zinc/43/04/53/565430453.db2.gz TXWATDNQYJSUKT-UHFFFAOYSA-N 2 0 384.366 2.826 20 0 GFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)CC1 ZINC000594961313 565438203 /nfs/dbraw/zinc/43/82/03/565438203.db2.gz MURXMPSKNLRVJF-ITNZAGEZSA-N 2 0 383.989 2.871 20 0 GFADRP C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC[NH+](C)CC1 ZINC000644562886 565481775 /nfs/dbraw/zinc/48/17/75/565481775.db2.gz GILFZUQYRPIQGW-BLLLJJGKSA-N 2 0 389.309 2.648 20 0 GFADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000645746561 565558560 /nfs/dbraw/zinc/55/85/60/565558560.db2.gz VGITVNQDTDQTMI-HNNXBMFYSA-N 2 0 388.339 2.652 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000651466675 565864669 /nfs/dbraw/zinc/86/46/69/565864669.db2.gz CJZWJKQKZYRYJH-CABCVRRESA-N 2 0 399.373 2.929 20 0 GFADRP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1cc(F)c(Br)cc1F ZINC000629650805 565864780 /nfs/dbraw/zinc/86/47/80/565864780.db2.gz FDKINWDAHNKRMS-WDEREUQCSA-N 2 0 390.272 2.575 20 0 GFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631042598 565935586 /nfs/dbraw/zinc/93/55/86/565935586.db2.gz JSLLZXRBLKBEBF-HUUCEWRRSA-N 2 0 387.977 2.835 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000607224946 565981721 /nfs/dbraw/zinc/98/17/21/565981721.db2.gz DXDXVNPACJAIAY-UHFFFAOYSA-N 2 0 375.344 2.671 20 0 GFADRP c1cc(-c2nn[nH]n2)sc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000823762951 606419050 /nfs/dbraw/zinc/41/90/50/606419050.db2.gz XHMOHCNVQHEMJH-UHFFFAOYSA-N 2 0 384.509 2.693 20 0 GFADRP O[C@H](C[NH2+]CCc1cn2c(n1)CCCC2)c1ccc(F)c(Br)c1 ZINC000818951333 660236980 /nfs/dbraw/zinc/23/69/80/660236980.db2.gz BWRFJTDAOOOFIE-MRXNPFEDSA-N 2 0 382.277 2.987 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C1CC[NH+](C)CC1 ZINC000266805248 654894977 /nfs/dbraw/zinc/89/49/77/654894977.db2.gz DNYVCGOFNRZGBH-UHFFFAOYSA-N 2 0 382.346 2.681 20 0 GFADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000092615701 655014900 /nfs/dbraw/zinc/01/49/00/655014900.db2.gz AYFQVHFVIHCGGA-UHFFFAOYSA-N 2 0 378.567 2.761 20 0 GFADRP O[C@@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)C[NH+]1CCCC1 ZINC000276177223 655265934 /nfs/dbraw/zinc/26/59/34/655265934.db2.gz UKMNHXODXVLEGH-OALUTQOASA-N 2 0 397.357 2.963 20 0 GFADRP C[NH+](Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000277329176 655313333 /nfs/dbraw/zinc/31/33/33/655313333.db2.gz CNWAYGMPZXTLHR-ROUUACIJSA-N 2 0 383.330 2.891 20 0 GFADRP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)NCC[NH+](C)C ZINC000578412369 655478242 /nfs/dbraw/zinc/47/82/42/655478242.db2.gz ILRXBACXNFNPTI-BBRMVZONSA-N 2 0 385.350 2.587 20 0 GFADRP CN(C(=S)NCC(C)(C)C[NH+](C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000840831875 661194071 /nfs/dbraw/zinc/19/40/71/661194071.db2.gz SDBSTIVJYCOSOK-UHFFFAOYSA-N 2 0 382.540 2.797 20 0 GFADRP OC1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000840885583 661198501 /nfs/dbraw/zinc/19/85/01/661198501.db2.gz ZLFMRYJSVHGIFV-QYZOEREBSA-N 2 0 378.607 2.983 20 0 GFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)cc2)CC1 ZINC000775377425 656633636 /nfs/dbraw/zinc/63/36/36/656633636.db2.gz WYYSKUOSHPTOKS-VAMGGRTRSA-N 2 0 377.623 2.903 20 0 GFADRP Cn1nc(Br)cc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000785447605 657365515 /nfs/dbraw/zinc/36/55/15/657365515.db2.gz OOBHYAVZCHJOTI-UHFFFAOYSA-N 2 0 381.318 2.803 20 0 GFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842687657 661349425 /nfs/dbraw/zinc/34/94/25/661349425.db2.gz ULUYFKNZOYFDQT-UHFFFAOYSA-N 2 0 375.742 2.613 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855346221 661987107 /nfs/dbraw/zinc/98/71/07/661987107.db2.gz RZEZDRCTEQZTNU-SUMWQHHRSA-N 2 0 390.355 2.805 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000855347090 661987121 /nfs/dbraw/zinc/98/71/21/661987121.db2.gz SNVGASZHJOCGPH-NSHDSACASA-N 2 0 380.842 2.756 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000855344229 661987409 /nfs/dbraw/zinc/98/74/09/661987409.db2.gz CRBQOUIYWDPFSD-LBPRGKRZSA-N 2 0 386.327 2.643 20 0 GFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870896616 662707106 /nfs/dbraw/zinc/70/71/06/662707106.db2.gz WWBKCWXIWWTUOZ-YOEHRIQHSA-N 2 0 380.330 2.639 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872018922 662753935 /nfs/dbraw/zinc/75/39/35/662753935.db2.gz RCHALQASULEGLQ-MJGOQNOKSA-N 2 0 396.373 2.754 20 0 GFADRP CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000872155501 662757054 /nfs/dbraw/zinc/75/70/54/662757054.db2.gz NBTFMCGFDHMFEJ-UHFFFAOYSA-N 2 0 376.364 2.920 20 0 GFADRP CCOP(=O)(CCC[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)OCC ZINC000876992128 662869363 /nfs/dbraw/zinc/86/93/63/662869363.db2.gz LRSBJCLUZPWROT-UHFFFAOYSA-N 2 0 375.494 2.791 20 0 GFADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000877524646 662877952 /nfs/dbraw/zinc/87/79/52/662877952.db2.gz AFGACSCEDIVHRR-UHFFFAOYSA-N 2 0 381.929 2.681 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000884184347 663066779 /nfs/dbraw/zinc/06/67/79/663066779.db2.gz NECRVKUFSCVOFO-KRWDZBQOSA-N 2 0 380.330 2.926 20 0 GFADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884346018 663069484 /nfs/dbraw/zinc/06/94/84/663069484.db2.gz WPTNIRCDCQPWCR-CVEARBPZSA-N 2 0 380.330 2.686 20 0 GFADRP CN(CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)S(=O)(=O)c1cccs1 ZINC000886553004 663113536 /nfs/dbraw/zinc/11/35/36/663113536.db2.gz BDFDDDDVCPXSTJ-UHFFFAOYSA-N 2 0 385.599 2.755 20 0 GFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000892574541 663377649 /nfs/dbraw/zinc/37/76/49/663377649.db2.gz LSTYSMOXIBFXQM-CQSZACIVSA-N 2 0 397.361 2.523 20 0 GFADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000894254511 663451217 /nfs/dbraw/zinc/45/12/17/663451217.db2.gz SOLVLNMQMHHEFF-UHFFFAOYSA-N 2 0 397.361 2.523 20 0 GFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)CC1 ZINC000894780169 663481140 /nfs/dbraw/zinc/48/11/40/663481140.db2.gz YPVXSRNXXPOCNM-HNNXBMFYSA-N 2 0 384.977 2.797 20 0 GFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898724191 663661213 /nfs/dbraw/zinc/66/12/13/663661213.db2.gz LMHCPDKUCLZDKZ-HNNXBMFYSA-N 2 0 393.329 2.691 20 0 GFADRP Brc1ccc(OCCCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000903750100 663805752 /nfs/dbraw/zinc/80/57/52/663805752.db2.gz USIRKDRWLIAVFQ-KRWDZBQOSA-N 2 0 382.346 2.588 20 0 GFADRP Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396683 663832819 /nfs/dbraw/zinc/83/28/19/663832819.db2.gz MRXHFQUSWTZDBN-UHFFFAOYSA-N 2 0 382.339 2.541 20 0 GFADRP C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000911725730 664254302 /nfs/dbraw/zinc/25/43/02/664254302.db2.gz PFPKGFKDMFRYOC-CABCVRRESA-N 2 0 394.357 2.575 20 0 GFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923419759 664630182 /nfs/dbraw/zinc/63/01/82/664630182.db2.gz CDZSQYGBHGCCGB-HONMWMINSA-N 2 0 377.710 2.558 20 0 GFADRP O=C1O[C@H](C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC12CC[NH2+]CC2 ZINC000925848118 664675724 /nfs/dbraw/zinc/67/57/24/664675724.db2.gz AFGMAKSJCFXDAJ-XHDPSFHLSA-N 2 0 397.288 2.850 20 0 GFADRP O=C1O[C@H](C[NH2+][C@H]2CCc3c2cccc3Br)CC12CC[NH2+]CC2 ZINC000925859070 664676363 /nfs/dbraw/zinc/67/63/63/664676363.db2.gz VMCOMAFORRNIDD-LRDDRELGSA-N 2 0 379.298 2.711 20 0 GFADRP CC(C)C[C@H]([NH2+][C@@H](C)c1cccc(Br)n1)C(=O)NCC[NH+](C)C ZINC000925952857 664678097 /nfs/dbraw/zinc/67/80/97/664678097.db2.gz KUSZLTQFQFHHJD-ZFWWWQNUSA-N 2 0 385.350 2.587 20 0 GFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164816080 720164264 /nfs/dbraw/zinc/16/42/64/720164264.db2.gz KGLNPPAWRYYBCW-JTHBVZDNSA-N 2 0 384.568 2.862 20 0 GFADRP Nc1cc[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754869 720868892 /nfs/dbraw/zinc/86/88/92/720868892.db2.gz UFFUGCXGFFAYMY-OFNKIYASSA-N 2 0 393.535 2.814 20 0 GFADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccc(C3CC[NH2+]CC3)n1)[C@@H]2C ZINC001164859697 720983742 /nfs/dbraw/zinc/98/37/42/720983742.db2.gz LKMDWHILAORANI-MRXNPFEDSA-N 2 0 383.544 2.562 20 0 GFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCC3)cc[nH+]2)[C@H]2CCCO[C@H]12 ZINC001164798222 721567117 /nfs/dbraw/zinc/56/71/17/721567117.db2.gz AZUFHDNORWZSFY-XJUOHMSHSA-N 2 0 393.535 2.945 20 0 GFADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3c(n2)CC[NH2+]C3)CC1 ZINC001165020197 721838736 /nfs/dbraw/zinc/83/87/36/721838736.db2.gz FWSLOIWDXSVLDX-UHFFFAOYSA-N 2 0 396.535 2.845 20 0 GFADRP Cn1ccc2c1cc[nH+]c2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982362 722107539 /nfs/dbraw/zinc/10/75/39/722107539.db2.gz NZCNGVGWOZPRFT-RXVVDRJESA-N 2 0 377.492 2.696 20 0 GFADRP C[C@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000127483259 551341532 /nfs/dbraw/zinc/34/15/32/551341532.db2.gz CAHVDTMWQVVFKG-PBHICJAKSA-N 2 0 382.346 2.888 20 0 GFADRP C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1)c1cccs1 ZINC000127770341 551344531 /nfs/dbraw/zinc/34/45/31/551344531.db2.gz HOFUYXOYJFXVFO-OAHLLOKOSA-N 2 0 379.551 2.535 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000155080715 551490489 /nfs/dbraw/zinc/49/04/89/551490489.db2.gz CFOPWAQUPVDPTI-WMLDXEAASA-N 2 0 382.346 2.888 20 0 GFADRP Cc1c(Br)cccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000179225817 552187902 /nfs/dbraw/zinc/18/79/02/552187902.db2.gz KSVYLCNAYYQDJU-UHFFFAOYSA-N 2 0 382.346 2.647 20 0 GFADRP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182958692 552296911 /nfs/dbraw/zinc/29/69/11/552296911.db2.gz ATGRVIVEZINVOJ-AWEZNQCLSA-N 2 0 387.355 2.890 20 0 GFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000185875388 552372924 /nfs/dbraw/zinc/37/29/24/552372924.db2.gz VGJOCXJJSDUVIS-HNNXBMFYSA-N 2 0 394.357 2.841 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(Br)c1F ZINC000192104934 552551395 /nfs/dbraw/zinc/55/13/95/552551395.db2.gz KLWGXWDNAGSTDX-UHFFFAOYSA-N 2 0 388.325 2.934 20 0 GFADRP CN1CCC(CNC(=O)c2ncccc2Br)([NH+]2CCCCC2)CC1 ZINC000193369753 552991110 /nfs/dbraw/zinc/99/11/10/552991110.db2.gz UQCASXIEQOMSRZ-UHFFFAOYSA-N 2 0 395.345 2.524 20 0 GFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)cc1I ZINC000417962780 563892693 /nfs/dbraw/zinc/89/26/93/563892693.db2.gz CPWUNQHBPDARFJ-AWEZNQCLSA-N 2 0 394.272 2.877 20 0 GFADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000418697677 563223029 /nfs/dbraw/zinc/22/30/29/563223029.db2.gz MEUIWZXRYNYJMR-KBPBESRZSA-N 2 0 397.361 2.791 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418787396 563225777 /nfs/dbraw/zinc/22/57/77/563225777.db2.gz JQSORZULUWSIMN-RDJZCZTQSA-N 2 0 397.361 2.650 20 0 GFADRP O=C(c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420311465 563262173 /nfs/dbraw/zinc/26/21/73/563262173.db2.gz VZHSNLUPDYRJJB-HNNXBMFYSA-N 2 0 380.330 2.597 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422900800 563350103 /nfs/dbraw/zinc/35/01/03/563350103.db2.gz AWRUHVMCZSJPGN-IRXDYDNUSA-N 2 0 398.345 2.827 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(Br)s2)CC[NH2+]CC1 ZINC000422945396 563351509 /nfs/dbraw/zinc/35/15/09/563351509.db2.gz ULKPSUSHBUZXPN-LLVKDONJSA-N 2 0 375.332 2.922 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423092705 563354421 /nfs/dbraw/zinc/35/44/21/563354421.db2.gz DBYLFRZCOKOEDQ-BBRMVZONSA-N 2 0 390.309 2.956 20 0 GFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423110454 563355540 /nfs/dbraw/zinc/35/55/40/563355540.db2.gz IDWKTGLNWBMNJU-HIFRSBDPSA-N 2 0 391.940 2.658 20 0 GFADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1 ZINC000423377882 563360593 /nfs/dbraw/zinc/36/05/93/563360593.db2.gz FQBSOLKXTZALPA-SMDDNHRTSA-N 2 0 380.252 2.936 20 0 GFADRP COCC[NH+]1CCC(Nc2cc[nH+]c3cc(OC)c(Br)cc23)CC1 ZINC000425218435 563411755 /nfs/dbraw/zinc/41/17/55/563411755.db2.gz YHIMJBOEPHGXCY-UHFFFAOYSA-N 2 0 394.313 2.951 20 0 GFADRP COc1cc2[nH+]ccc(N3CCC[N@@H+]([C@H](C)CO)CC3)c2cc1Br ZINC000425250794 563415097 /nfs/dbraw/zinc/41/50/97/563415097.db2.gz DLRSVSNUKIAZCM-CYBMUJFWSA-N 2 0 394.313 2.899 20 0 GFADRP COC(=O)[C@@H]1C[N@H+](CCn2ccnc2)C[C@H]1c1ccc(Br)cc1 ZINC000425520378 563426175 /nfs/dbraw/zinc/42/61/75/563426175.db2.gz QYMVXEZNNSPGFU-JKSUJKDBSA-N 2 0 378.270 2.534 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430966246 563550951 /nfs/dbraw/zinc/55/09/51/563550951.db2.gz OGXNYCGKNNVILR-UONOGXRCSA-N 2 0 382.346 2.855 20 0 GFADRP C[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Oc1ccc(Br)cc1 ZINC000433150492 563604942 /nfs/dbraw/zinc/60/49/42/563604942.db2.gz GNQOASLPQFMNSR-CQSZACIVSA-N 2 0 398.345 2.536 20 0 GFADRP CC[C@@H](C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000413842240 563707361 /nfs/dbraw/zinc/70/73/61/563707361.db2.gz HSQFQDLEKTUDLE-CJNGLKHVSA-N 2 0 397.361 2.868 20 0 GFADRP C[N@@H+](Cc1cc(Br)ccc1Cl)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414748957 563751954 /nfs/dbraw/zinc/75/19/54/563751954.db2.gz VMAOCXCWLVWEFK-LBPRGKRZSA-N 2 0 388.737 2.732 20 0 GFADRP CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414769824 563753026 /nfs/dbraw/zinc/75/30/26/563753026.db2.gz XJDZIZCJNWCWLZ-GXTWGEPZSA-N 2 0 388.375 2.837 20 0 GFADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414833719 563753868 /nfs/dbraw/zinc/75/38/68/563753868.db2.gz GSIAYVDBYNSWGF-CYBMUJFWSA-N 2 0 382.346 2.807 20 0 GFADRP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965319 563755136 /nfs/dbraw/zinc/75/51/36/563755136.db2.gz CPIGQRSSVONPBK-ZDUSSCGKSA-N 2 0 386.245 2.928 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062701 563790149 /nfs/dbraw/zinc/79/01/49/563790149.db2.gz VCRMDSDVKBWMCT-CABCVRRESA-N 2 0 382.346 2.857 20 0 GFADRP C[NH+](C)[C@@]1(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCSC1 ZINC000415952468 563801412 /nfs/dbraw/zinc/80/14/12/563801412.db2.gz HIMWODNIYXMTNS-OAHLLOKOSA-N 2 0 376.448 2.723 20 0 GFADRP [NH3+]CC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000415997221 563802000 /nfs/dbraw/zinc/80/20/00/563802000.db2.gz RBPRTBPJOFFQJK-GXTWGEPZSA-N 2 0 378.464 2.539 20 0 GFADRP COc1ccc(Br)cc1CN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000367623996 563850558 /nfs/dbraw/zinc/85/05/58/563850558.db2.gz SOLADSYASWANIB-MRXNPFEDSA-N 2 0 396.373 2.917 20 0 GFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000537960421 564178699 /nfs/dbraw/zinc/17/86/99/564178699.db2.gz VDNXFQRBFKBZPH-YOEHRIQHSA-N 2 0 382.346 2.716 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Br)ccc2OC)CC1 ZINC000449750363 564199388 /nfs/dbraw/zinc/19/93/88/564199388.db2.gz ITWJACMTJKVDHK-UHFFFAOYSA-N 2 0 384.362 2.963 20 0 GFADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000564798514 564249579 /nfs/dbraw/zinc/24/95/79/564249579.db2.gz YXKIWUKBXVCEGE-UONOGXRCSA-N 2 0 385.350 2.648 20 0 GFADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000566005156 564305617 /nfs/dbraw/zinc/30/56/17/564305617.db2.gz VIFDPSAMBRXRDH-INIZCTEOSA-N 2 0 389.309 2.649 20 0 GFADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1cccc(Br)c1 ZINC000566107585 564310891 /nfs/dbraw/zinc/31/08/91/564310891.db2.gz NWIIYMCMZVSDMU-KRWDZBQOSA-N 2 0 383.330 2.653 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000453384949 564456469 /nfs/dbraw/zinc/45/64/69/564456469.db2.gz UJOPCSWSNDIAND-KMFMINBZSA-N 2 0 385.346 2.539 20 0 GFADRP C[C@@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C[NH+]1CCCC1 ZINC000569715484 564474979 /nfs/dbraw/zinc/47/49/79/564474979.db2.gz MDAMQJJPXNFRFU-BBRMVZONSA-N 2 0 389.309 2.649 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(Br)c1F ZINC000570143173 564493646 /nfs/dbraw/zinc/49/36/46/564493646.db2.gz NSFOMFJCPRNRJK-UHFFFAOYSA-N 2 0 393.276 2.684 20 0 GFADRP C[C@@H](CC[NH+](C)C)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000519450737 564577648 /nfs/dbraw/zinc/57/76/48/564577648.db2.gz JEBRMZRUNGMBQU-HNNXBMFYSA-N 2 0 399.377 2.863 20 0 GFADRP Cc1cc(Br)cc(C)c1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524931468 564690566 /nfs/dbraw/zinc/69/05/66/564690566.db2.gz JPGCMJGVARFEIS-UHFFFAOYSA-N 2 0 399.377 2.701 20 0 GFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527655182 564753205 /nfs/dbraw/zinc/75/32/05/564753205.db2.gz YVKYBOVCUCSWJH-UHFFFAOYSA-N 2 0 376.289 2.845 20 0 GFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000556260483 564816345 /nfs/dbraw/zinc/81/63/45/564816345.db2.gz PMFBARNISIXBGO-HZPDHXFCSA-N 2 0 384.362 2.957 20 0 GFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000581801513 564818699 /nfs/dbraw/zinc/81/86/99/564818699.db2.gz ILVZZJHJUQKZEH-MPTYRVRUSA-N 2 0 385.961 2.677 20 0 GFADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCOCC[NH+](C)C ZINC000499250948 564922133 /nfs/dbraw/zinc/92/21/33/564922133.db2.gz MSUZWXAWTITBEY-UHFFFAOYSA-N 2 0 381.318 2.611 20 0 GFADRP C[C@@H]1C[C@@H](N(C)C(=O)NCc2cn3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000465733996 564931338 /nfs/dbraw/zinc/93/13/38/564931338.db2.gz ZEFWYSOVCHUBHR-DOMZBBRYSA-N 2 0 394.317 2.721 20 0 GFADRP O=c1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)nc2ccc(Br)cn12 ZINC000533389719 564961500 /nfs/dbraw/zinc/96/15/00/564961500.db2.gz OQWCOIIHUVHPOC-LBPRGKRZSA-N 2 0 388.269 2.560 20 0 GFADRP C[N@@H+]1CCCN(CCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000591718874 565237769 /nfs/dbraw/zinc/23/77/69/565237769.db2.gz KKFKQQJKVTYQNQ-UHFFFAOYSA-N 2 0 394.357 2.842 20 0 GFADRP Ic1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000592470865 565278929 /nfs/dbraw/zinc/27/89/29/565278929.db2.gz NIDTXTNONBKMNY-VNHYZAJKSA-N 2 0 386.277 2.648 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641050378 565343815 /nfs/dbraw/zinc/34/38/15/565343815.db2.gz CADOEKRLRVSFSU-KRWDZBQOSA-N 2 0 397.361 2.664 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCc2ccc(I)cc21)N1CC[NH+](C)CC1 ZINC000595012180 565441941 /nfs/dbraw/zinc/44/19/41/565441941.db2.gz OSGNYNSRRJOYIQ-CXAGYDPISA-N 2 0 399.320 2.504 20 0 GFADRP CN(CCC[NH2+]CC1=Cc2cc(Br)ccc2OC1)CC[NH+](C)C ZINC000623087808 565495127 /nfs/dbraw/zinc/49/51/27/565495127.db2.gz JESDTNYUUOAMCA-UHFFFAOYSA-N 2 0 382.346 2.698 20 0 GFADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000623888616 565534168 /nfs/dbraw/zinc/53/41/68/565534168.db2.gz NHLATHLZDJAWRU-HUUCEWRRSA-N 2 0 382.346 2.996 20 0 GFADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)CC[C@H]21 ZINC000646249006 565591412 /nfs/dbraw/zinc/59/14/12/565591412.db2.gz BFEFFCAOOQGAOQ-QBIMZIAESA-N 2 0 380.330 2.566 20 0 GFADRP O=C(NCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC000647789304 565675981 /nfs/dbraw/zinc/67/59/81/565675981.db2.gz AMWHJJNOAMPABB-YQQAZPJKSA-N 2 0 380.330 2.547 20 0 GFADRP [NH3+]CCCOC1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629514931 565858010 /nfs/dbraw/zinc/85/80/10/565858010.db2.gz WEHZFMFGGFFTNH-KRWDZBQOSA-N 2 0 396.329 2.532 20 0 GFADRP O[C@H](C[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)C[NH+]1CCCC1 ZINC000629573497 565860384 /nfs/dbraw/zinc/86/03/84/565860384.db2.gz DIFVMFPKAXGLDI-CYBMUJFWSA-N 2 0 381.826 2.569 20 0 GFADRP CCC[N@H+](C)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655930748 566096104 /nfs/dbraw/zinc/09/61/04/566096104.db2.gz UBARLQKNQWZNEU-UONOGXRCSA-N 2 0 380.842 2.912 20 0 GFADRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1-c1nn[nH]n1 ZINC000821818087 599397114 /nfs/dbraw/zinc/39/71/14/599397114.db2.gz KONLRVQNSSWEFT-UHFFFAOYSA-N 2 0 378.480 2.761 20 0 GFADRP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000826168623 608355114 /nfs/dbraw/zinc/35/51/14/608355114.db2.gz SYFDUEODWQPYHI-UHFFFAOYSA-N 2 0 384.528 2.963 20 0 GFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000825870456 608502328 /nfs/dbraw/zinc/50/23/28/608502328.db2.gz NANJVLJCNDEVHJ-NRFANRHFSA-N 2 0 392.507 2.974 20 0 GFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824607226 609333429 /nfs/dbraw/zinc/33/34/29/609333429.db2.gz WDIKLUKPWOBJGW-HNNXBMFYSA-N 2 0 398.486 2.840 20 0 GFADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000819083592 660245838 /nfs/dbraw/zinc/24/58/38/660245838.db2.gz BRKYWWWJVAQOBL-KDOFPFPSSA-N 2 0 383.330 2.573 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc(Br)cc1 ZINC000057157348 654802331 /nfs/dbraw/zinc/80/23/31/654802331.db2.gz CLDBDMRYQBLMTC-UHFFFAOYSA-N 2 0 384.362 2.724 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccncc1Br ZINC000272645722 655117981 /nfs/dbraw/zinc/11/79/81/655117981.db2.gz FLHJDFSIBQESRW-CQSZACIVSA-N 2 0 398.349 2.724 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000119107071 655290823 /nfs/dbraw/zinc/29/08/23/655290823.db2.gz HIUGFQQMNPMBOJ-UHFFFAOYSA-N 2 0 375.344 2.921 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000261654238 655441543 /nfs/dbraw/zinc/44/15/43/655441543.db2.gz DRLGRSPYOMBLKC-FUHWJXTLSA-N 2 0 380.330 2.710 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1Br ZINC000755832568 655889560 /nfs/dbraw/zinc/88/95/60/655889560.db2.gz OOCSRUIKZWDAAV-HNNXBMFYSA-N 2 0 397.361 2.641 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH+](C)C ZINC000866041566 662458293 /nfs/dbraw/zinc/45/82/93/662458293.db2.gz VLJHHSUZNJUUMF-ZIAGYGMSSA-N 2 0 383.334 2.652 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)CSCc2ccc(Cl)cc2)C[C@H]1C[NH+](C)C ZINC000870023806 662671638 /nfs/dbraw/zinc/67/16/38/662671638.db2.gz ASEWUSZYDVXZPS-IAGOWNOFSA-N 2 0 383.989 2.771 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872018923 662753883 /nfs/dbraw/zinc/75/38/83/662753883.db2.gz RCHALQASULEGLQ-PKOBYXMFSA-N 2 0 396.373 2.754 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+](C)C ZINC000875737138 662851040 /nfs/dbraw/zinc/85/10/40/662851040.db2.gz CDSTZDKLMJFZPQ-HUUCEWRRSA-N 2 0 387.355 2.874 20 0 GFADRP COCC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)CC1CC[NH+](C)CC1 ZINC000879122469 662917749 /nfs/dbraw/zinc/91/77/49/662917749.db2.gz MPBCLHSJMBQQDK-UHFFFAOYSA-N 2 0 387.977 2.650 20 0 GFADRP COCC[C@@H]([NH3+])C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000884308132 663068543 /nfs/dbraw/zinc/06/85/43/663068543.db2.gz GJOZXKKXFXZPIF-QGZVFWFLSA-N 2 0 388.339 2.782 20 0 GFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(C)nc1I ZINC000894180043 663447016 /nfs/dbraw/zinc/44/70/16/663447016.db2.gz IMEXPNPVARIDPC-CYBMUJFWSA-N 2 0 390.313 2.769 20 0 GFADRP C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000894933027 663489559 /nfs/dbraw/zinc/48/95/59/663489559.db2.gz QASUWABXLHXGJM-IEBWSBKVSA-N 2 0 394.357 2.647 20 0 GFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000903442403 663784883 /nfs/dbraw/zinc/78/48/83/663784883.db2.gz OOOVRFPDTHXKLR-KCQAQPDRSA-N 2 0 381.318 2.622 20 0 GFADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2ccc(Br)c(F)c2)cnn1C ZINC000903914362 663811268 /nfs/dbraw/zinc/81/12/68/663811268.db2.gz TWMVACBJQGKXFP-AWEZNQCLSA-N 2 0 383.309 2.880 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)cnn1C ZINC000903936355 663812762 /nfs/dbraw/zinc/81/27/62/663812762.db2.gz ZOWVJNMXUTXRHC-PSVFENSKSA-N 2 0 389.341 2.536 20 0 GFADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)C1 ZINC000911819389 664257171 /nfs/dbraw/zinc/25/71/71/664257171.db2.gz ALSLURFMRASFGQ-GJZGRUSLSA-N 2 0 394.357 2.656 20 0 GFADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(O)c1Br)C2 ZINC000922387841 664598082 /nfs/dbraw/zinc/59/80/82/664598082.db2.gz BHPRWQMJYPDEIK-UWIFEVILSA-N 2 0 383.330 2.724 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc3c(c(Br)c1)OCO3)CC2 ZINC000923448296 664630736 /nfs/dbraw/zinc/63/07/36/664630736.db2.gz BFFGZOIQAIPNBS-ZDUSSCGKSA-N 2 0 383.286 2.508 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC12CC[NH2+]CC2 ZINC000925849316 664675880 /nfs/dbraw/zinc/67/58/80/664675880.db2.gz HYBMJFCBJDLMMP-GDBMZVCRSA-N 2 0 379.298 2.711 20 0 GFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)cc(C)[nH+]1)C2 ZINC001164809151 720066054 /nfs/dbraw/zinc/06/60/54/720066054.db2.gz ISCLOWJQCZUVSF-DENIHFKCSA-N 2 0 385.556 2.570 20 0 GFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)cc(C)[nH+]1)C2 ZINC001164809157 720066938 /nfs/dbraw/zinc/06/69/38/720066938.db2.gz ISCLOWJQCZUVSF-UGKGYDQZSA-N 2 0 385.556 2.570 20 0 GFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164820213 720155296 /nfs/dbraw/zinc/15/52/96/720155296.db2.gz ZSYSUMONQMSZJF-KKSFZXQISA-N 2 0 390.959 2.565 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)[nH+]1 ZINC001164814718 720225132 /nfs/dbraw/zinc/22/51/32/720225132.db2.gz WOOWDBGYAYWEEJ-UHFFFAOYSA-N 2 0 380.496 2.679 20 0 GFADRP c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[N@@H+]3C2)c1 ZINC001164867269 721113642 /nfs/dbraw/zinc/11/36/42/721113642.db2.gz XPAJIHDJLRQIOX-NHCUHLMSSA-N 2 0 379.508 2.557 20 0 GFADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000168953999 551634765 /nfs/dbraw/zinc/63/47/65/551634765.db2.gz YEHWBCNCNDMCMT-SFHVURJKSA-N 2 0 383.989 2.857 20 0 GFADRP C[NH+](C)C1CCN(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000176989783 552149008 /nfs/dbraw/zinc/14/90/08/552149008.db2.gz MLWGBHGHYCOTAW-UHFFFAOYSA-N 2 0 394.357 2.841 20 0 GFADRP COc1ccc(Br)c(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000185890373 552373254 /nfs/dbraw/zinc/37/32/54/552373254.db2.gz OEOVYPVFBIKJGW-UHFFFAOYSA-N 2 0 384.362 2.963 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000261773297 553158682 /nfs/dbraw/zinc/15/86/82/553158682.db2.gz ONQJJIKXGUBIPS-IBGZPJMESA-N 2 0 394.357 2.957 20 0 GFADRP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261899978 553162263 /nfs/dbraw/zinc/16/22/63/553162263.db2.gz OSRGCALGYKZWRO-NVXWUHKLSA-N 2 0 380.330 2.529 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2sccc2Br)CC[NH2+]CC1 ZINC000422935872 563350881 /nfs/dbraw/zinc/35/08/81/563350881.db2.gz AYDHFQOKJCPMSH-LLVKDONJSA-N 2 0 375.332 2.922 20 0 GFADRP CC[NH2+]CCNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000418315912 563215850 /nfs/dbraw/zinc/21/58/50/563215850.db2.gz IUYFUDLFVLHUDI-UHFFFAOYSA-N 2 0 397.361 2.664 20 0 GFADRP C[C@H](CCC[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418693477 563222639 /nfs/dbraw/zinc/22/26/39/563222639.db2.gz UMQUXIDBNQIYCQ-CQSZACIVSA-N 2 0 385.350 2.650 20 0 GFADRP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(CCN3CCOCC3)C1)CCS2 ZINC000372779500 563317301 /nfs/dbraw/zinc/31/73/01/563317301.db2.gz HKIOJBGDTZGISR-FUHWJXTLSA-N 2 0 381.973 2.873 20 0 GFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000422903325 563349870 /nfs/dbraw/zinc/34/98/70/563349870.db2.gz FKTABZONPIYRQM-PBHICJAKSA-N 2 0 382.346 2.775 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422903537 563350850 /nfs/dbraw/zinc/35/08/50/563350850.db2.gz FMYAISNBZBPYOA-XYPWUTKMSA-N 2 0 380.330 2.670 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(OC)ccc2Br)CC[NH2+]CC1 ZINC000422943547 563351867 /nfs/dbraw/zinc/35/18/67/563351867.db2.gz YCXHWRNGABDSNS-CYBMUJFWSA-N 2 0 399.329 2.869 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000423097218 563355550 /nfs/dbraw/zinc/35/55/50/563355550.db2.gz QJWCHFZTJHOPTC-DOMZBBRYSA-N 2 0 389.323 2.938 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423390942 563360222 /nfs/dbraw/zinc/36/02/22/563360222.db2.gz OWAYESDRJLOCEE-GDBMZVCRSA-N 2 0 377.838 2.979 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1Br ZINC000423451219 563361575 /nfs/dbraw/zinc/36/15/75/563361575.db2.gz IFMBLUFXFYFABL-ONUMYQOESA-N 2 0 398.320 2.886 20 0 GFADRP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1Br ZINC000378266771 563500268 /nfs/dbraw/zinc/50/02/68/563500268.db2.gz BQUDGYBDCRWLCS-HNNXBMFYSA-N 2 0 380.330 2.656 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741679 563751964 /nfs/dbraw/zinc/75/19/64/563751964.db2.gz FMEVWRSVOYKDEA-ZFWWWQNUSA-N 2 0 386.323 2.644 20 0 GFADRP COCC1(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[NH2+]CC1 ZINC000414977106 563756297 /nfs/dbraw/zinc/75/62/97/563756297.db2.gz QLUQXJFGGXBPAA-UHFFFAOYSA-N 2 0 384.311 2.680 20 0 GFADRP C[C@@H](C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1cccc(Br)c1 ZINC000415102697 563759409 /nfs/dbraw/zinc/75/94/09/563759409.db2.gz CQVXYRGAKRXPLF-SUMWQHHRSA-N 2 0 378.318 2.940 20 0 GFADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415990034 563801247 /nfs/dbraw/zinc/80/12/47/563801247.db2.gz BVHLJPSIKFRTOU-AWEZNQCLSA-N 2 0 380.842 2.693 20 0 GFADRP CSc1ccc([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)[NH+](C)C)cc1 ZINC000416038793 563803960 /nfs/dbraw/zinc/80/39/60/563803960.db2.gz FKLXBAHRCRFXGK-UONOGXRCSA-N 2 0 378.464 2.590 20 0 GFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(Br)cc3F)C2)C1 ZINC000366554499 563813703 /nfs/dbraw/zinc/81/37/03/563813703.db2.gz MEQWMZGRWXFAAN-QGZVFWFLSA-N 2 0 384.293 2.944 20 0 GFADRP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000449134141 563906854 /nfs/dbraw/zinc/90/68/54/563906854.db2.gz HDJUKBHCQGDBRH-UONOGXRCSA-N 2 0 388.339 2.938 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Br)c1 ZINC000505731523 564188344 /nfs/dbraw/zinc/18/83/44/564188344.db2.gz NSQQGHOHRWHFPU-KRWDZBQOSA-N 2 0 382.346 2.937 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1C ZINC000508084010 564252362 /nfs/dbraw/zinc/25/23/62/564252362.db2.gz WTMZNBNHLBHXFN-KRWDZBQOSA-N 2 0 387.977 2.685 20 0 GFADRP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc(I)c1OC ZINC000566230166 564318456 /nfs/dbraw/zinc/31/84/56/564318456.db2.gz NDAREJDTVDVIBD-VHSXEESVSA-N 2 0 378.254 2.524 20 0 GFADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000567891644 564395053 /nfs/dbraw/zinc/39/50/53/564395053.db2.gz NGTHHJNHIYHGQY-PREGVCBESA-N 2 0 385.346 2.899 20 0 GFADRP O=C(c1ccc(Br)cc1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479698585 564448253 /nfs/dbraw/zinc/44/82/53/564448253.db2.gz FHNWTQGUAJOABU-UHFFFAOYSA-N 2 0 380.330 2.597 20 0 GFADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569095245 564448975 /nfs/dbraw/zinc/44/89/75/564448975.db2.gz OLODMGVCWKHSEO-HBUWYVDXSA-N 2 0 385.936 2.683 20 0 GFADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000486066111 564637485 /nfs/dbraw/zinc/63/74/85/564637485.db2.gz UMRSVJGTJKPCCO-WMLDXEAASA-N 2 0 382.346 2.537 20 0 GFADRP Brc1cccc2c1C[C@@H]([NH2+]Cc1nnc(C3CC[NH2+]CC3)[nH]1)CC2 ZINC000580304428 564755578 /nfs/dbraw/zinc/75/55/78/564755578.db2.gz FKPZCSCGSYAUIG-AWEZNQCLSA-N 2 0 390.329 2.681 20 0 GFADRP C[NH+]1CCC(C[NH2+]Cc2ccsc2C(F)(F)F)(N2CCOCC2)CC1 ZINC000527721976 564758245 /nfs/dbraw/zinc/75/82/45/564758245.db2.gz WIVGRLBQRRDFGK-UHFFFAOYSA-N 2 0 377.476 2.653 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000557829935 564879332 /nfs/dbraw/zinc/87/93/32/564879332.db2.gz IXBZKFJKQFEXKS-UHFFFAOYSA-N 2 0 397.919 2.512 20 0 GFADRP CC[NH+]1CCC([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000532235245 564932082 /nfs/dbraw/zinc/93/20/82/564932082.db2.gz UMYKYVXMWPESRO-UHFFFAOYSA-N 2 0 385.599 2.539 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000535915935 565024822 /nfs/dbraw/zinc/02/48/22/565024822.db2.gz UYYWAJQAXCVNMO-UHFFFAOYSA-N 2 0 393.956 2.514 20 0 GFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000562748426 565041341 /nfs/dbraw/zinc/04/13/41/565041341.db2.gz UCQFFIYJTQLJPR-XVSDVWIESA-N 2 0 394.357 2.617 20 0 GFADRP Brc1cnn(CCCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657452844 565101331 /nfs/dbraw/zinc/10/13/31/565101331.db2.gz KPGSAKPACCKSRE-UHFFFAOYSA-N 2 0 375.274 2.796 20 0 GFADRP C[NH+]1CCN(C(C)(C)C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000588177555 565130251 /nfs/dbraw/zinc/13/02/51/565130251.db2.gz CDYURGRBBIVNTI-UHFFFAOYSA-N 2 0 394.357 2.841 20 0 GFADRP CN1CCN(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)[C@H](C[NH3+])C1 ZINC000659626287 565221350 /nfs/dbraw/zinc/22/13/50/565221350.db2.gz AEKSVCHYTFABKP-NVXWUHKLSA-N 2 0 395.345 2.501 20 0 GFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000644532054 565480152 /nfs/dbraw/zinc/48/01/52/565480152.db2.gz XCVUKBNMRLYSCH-RDJZCZTQSA-N 2 0 385.346 2.899 20 0 GFADRP C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000644563125 565481910 /nfs/dbraw/zinc/48/19/10/565481910.db2.gz MRUWHNRTDUYLAI-ZDUSSCGKSA-N 2 0 389.359 2.543 20 0 GFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000645145514 565514806 /nfs/dbraw/zinc/51/48/06/565514806.db2.gz MSUKXVQGUBZGIV-INIZCTEOSA-N 2 0 380.374 2.922 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789787 565675775 /nfs/dbraw/zinc/67/57/75/565675775.db2.gz LKPDWBIWSFILCP-BHYGNILZSA-N 2 0 394.357 2.775 20 0 GFADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)nc12 ZINC000647794223 565677028 /nfs/dbraw/zinc/67/70/28/565677028.db2.gz VHEYYMAMZAWFMX-IJEWVQPXSA-N 2 0 377.330 2.925 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000647983552 565686326 /nfs/dbraw/zinc/68/63/26/565686326.db2.gz OWGVJJCDSKBLTD-QAPCUYQASA-N 2 0 396.329 2.606 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000627220106 565727209 /nfs/dbraw/zinc/72/72/09/565727209.db2.gz LWNVZXJSOSCARZ-VUCTXSBTSA-N 2 0 385.339 2.990 20 0 GFADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000629567999 565859437 /nfs/dbraw/zinc/85/94/37/565859437.db2.gz RIHOMJVVWHYLLE-CHWSQXEVSA-N 2 0 376.328 2.727 20 0 GFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000652346048 565922969 /nfs/dbraw/zinc/92/29/69/565922969.db2.gz RWVUMEHJHULPSR-YSVLISHTSA-N 2 0 396.329 2.606 20 0 GFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(OC)c(Br)cc2F)CC1 ZINC000631040305 565934389 /nfs/dbraw/zinc/93/43/89/565934389.db2.gz BBPXHUVQTCVYNT-CYBMUJFWSA-N 2 0 388.325 2.712 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679340562 566037569 /nfs/dbraw/zinc/03/75/69/566037569.db2.gz FDNLTIMERGHHKI-MNEFBYGVSA-N 2 0 396.373 2.895 20 0 GFADRP Cc1cc(Br)ccc1NC(=O)CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655725429 566083954 /nfs/dbraw/zinc/08/39/54/566083954.db2.gz TURUUGGKSLIBIK-MRXNPFEDSA-N 2 0 396.329 2.539 20 0 GFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824929387 608282729 /nfs/dbraw/zinc/28/27/29/608282729.db2.gz WYWQLMJJRFAXOM-QFBILLFUSA-N 2 0 384.528 2.878 20 0 GFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826157675 608420493 /nfs/dbraw/zinc/42/04/93/608420493.db2.gz GTAARNRSRPOIRJ-UHFFFAOYSA-N 2 0 390.507 2.576 20 0 GFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C[C@@H](C)O1 ZINC000824983726 608505333 /nfs/dbraw/zinc/50/53/33/608505333.db2.gz BZFUKCHUCXVYEL-JXXFODFXSA-N 2 0 384.528 2.723 20 0 GFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825870308 608507451 /nfs/dbraw/zinc/50/74/51/608507451.db2.gz GIGKYBQLVMHMAC-FQEVSTJZSA-N 2 0 392.507 2.974 20 0 GFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576287 660201222 /nfs/dbraw/zinc/20/12/22/660201222.db2.gz PLBMDYOYAGBOQO-CQSZACIVSA-N 2 0 387.391 2.972 20 0 GFADRP C[N@@H+]1CCN(CC[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1(C)C ZINC000817584039 660201751 /nfs/dbraw/zinc/20/17/51/660201751.db2.gz QPGCJBJOIBQCOW-CQSZACIVSA-N 2 0 387.391 2.972 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000817906294 660211920 /nfs/dbraw/zinc/21/19/20/660211920.db2.gz WRUAMSSRWNDIEA-IUODEOHRSA-N 2 0 389.323 2.938 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000057718370 654809092 /nfs/dbraw/zinc/80/90/92/654809092.db2.gz XKDBBSZOMSBSCU-UHFFFAOYSA-N 2 0 396.384 2.888 20 0 GFADRP CSC(C)(C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000269000734 654994802 /nfs/dbraw/zinc/99/48/02/654994802.db2.gz UQGCZRSHKBCYIS-HNNXBMFYSA-N 2 0 387.615 2.709 20 0 GFADRP C[NH+]1CCN(CCC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000174248356 655195169 /nfs/dbraw/zinc/19/51/69/655195169.db2.gz IZMORAJMSARZKS-UHFFFAOYSA-N 2 0 392.345 2.566 20 0 GFADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc(Cl)c(Cl)[nH]1 ZINC000748286958 655789470 /nfs/dbraw/zinc/78/94/70/655789470.db2.gz KEFGUXIIPFMUMZ-UHFFFAOYSA-N 2 0 382.295 2.659 20 0 GFADRP C[NH+]1CCC(CNC(=S)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000760475076 655981987 /nfs/dbraw/zinc/98/19/87/655981987.db2.gz BHFDZZPEPIRVPV-QGZVFWFLSA-N 2 0 380.627 2.766 20 0 GFADRP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841045495 661229085 /nfs/dbraw/zinc/22/90/85/661229085.db2.gz WTFYOZIUUYPPOG-UHFFFAOYSA-N 2 0 382.339 2.541 20 0 GFADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c2ccccc2)CC1 ZINC000775378874 656633659 /nfs/dbraw/zinc/63/36/59/656633659.db2.gz CWWZBYMRMUOJIR-FYQPLNBISA-N 2 0 377.623 2.944 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(Br)c1 ZINC000849098182 661692011 /nfs/dbraw/zinc/69/20/11/661692011.db2.gz FZQQOJDHJPVXSK-ZFWWWQNUSA-N 2 0 383.334 2.815 20 0 GFADRP COc1ccc(Cl)c(NC(=S)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000865245201 662407524 /nfs/dbraw/zinc/40/75/24/662407524.db2.gz HNWYKMGMGLCEDI-ZIAGYGMSSA-N 2 0 384.977 2.717 20 0 GFADRP C[NH+](C)C[C@@H]1CN(c2ncc3scc(Br)c3n2)C[C@H]1C[NH+](C)C ZINC000866010151 662456265 /nfs/dbraw/zinc/45/62/65/662456265.db2.gz GAFJWDDJAOPNEO-VXGBXAGGSA-N 2 0 398.374 2.629 20 0 GFADRP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000870017801 662671462 /nfs/dbraw/zinc/67/14/62/662671462.db2.gz HIRRVXRRBBKYLP-DJIMGWMZSA-N 2 0 396.373 2.750 20 0 GFADRP C[NH+](C)Cc1cc(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)ccc1F ZINC000870889074 662705761 /nfs/dbraw/zinc/70/57/61/662705761.db2.gz VOQHOVGHBCOTOT-QGZVFWFLSA-N 2 0 394.288 2.966 20 0 GFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc(Br)ncc1F ZINC000873246023 662804643 /nfs/dbraw/zinc/80/46/43/662804643.db2.gz RNTQUMADDPEWDN-NSHDSACASA-N 2 0 380.265 2.961 20 0 GFADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000873260532 662804668 /nfs/dbraw/zinc/80/46/68/662804668.db2.gz CKSLOQYFJCPRMF-DUFGSWQCSA-N 2 0 385.961 2.819 20 0 GFADRP CCOP(=O)(CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)OCC ZINC000876781577 662866277 /nfs/dbraw/zinc/86/62/77/662866277.db2.gz IBKZSSXYDSFCSM-ZWKOTPCHSA-N 2 0 375.494 2.600 20 0 GFADRP CCOP(=O)(CCC[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)OCC ZINC000877525045 662878115 /nfs/dbraw/zinc/87/81/15/662878115.db2.gz OSQXZHQGBWSGRL-UHFFFAOYSA-N 2 0 375.494 2.602 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2COc3cccc(Br)c3C2)CC1 ZINC000877758513 662882956 /nfs/dbraw/zinc/88/29/56/662882956.db2.gz GKFYSKBKIVRWAM-AWEZNQCLSA-N 2 0 383.330 2.578 20 0 GFADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC2(c3cccc(Br)c3)CC2)cnn1C ZINC000903924684 663811912 /nfs/dbraw/zinc/81/19/12/663811912.db2.gz HACCVJZLWOWRTN-HNNXBMFYSA-N 2 0 391.357 2.930 20 0 GFADRP Oc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1Br ZINC000903980336 663814973 /nfs/dbraw/zinc/81/49/73/663814973.db2.gz PCURQQANUSKXNU-IYBDPMFKSA-N 2 0 380.330 2.555 20 0 GFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000923376187 664629197 /nfs/dbraw/zinc/62/91/97/664629197.db2.gz VHTPNZLSZKLSMS-KZNAEPCWSA-N 2 0 383.330 2.701 20 0 GFADRP [NH3+]C1CCN(CC[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000925811677 664675229 /nfs/dbraw/zinc/67/52/29/664675229.db2.gz JXWAQIBDWWKXEA-QZTJIDSGSA-N 2 0 382.346 2.682 20 0 GFADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431974 664794653 /nfs/dbraw/zinc/79/46/53/664794653.db2.gz RRCGJUGEPZXZEW-BHYGNILZSA-N 2 0 394.357 2.680 20 0 GFADRP Clc1nc2c(c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n1)C[NH2+]CC2 ZINC001164626186 719053261 /nfs/dbraw/zinc/05/32/61/719053261.db2.gz QYBNYAMTTRZHQI-APWZRJJASA-N 2 0 383.927 2.877 20 0 GFADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C[NH3+])CC2 ZINC001164712497 720131642 /nfs/dbraw/zinc/13/16/42/720131642.db2.gz MUVLXLPYEXBCQD-OAQYLSRUSA-N 2 0 395.551 2.751 20 0 GFADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C[NH3+])CC2 ZINC001164712496 720132985 /nfs/dbraw/zinc/13/29/85/720132985.db2.gz MUVLXLPYEXBCQD-NRFANRHFSA-N 2 0 395.551 2.751 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164832550 720322872 /nfs/dbraw/zinc/32/28/72/720322872.db2.gz UIGYLZYSDZQZBQ-VQTJNVASSA-N 2 0 381.524 2.783 20 0 GFADRP c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)cn2)c1 ZINC001164724404 720480392 /nfs/dbraw/zinc/48/03/92/720480392.db2.gz FYTIEVCJXAMKIY-VXKWHMMOSA-N 2 0 393.535 2.708 20 0 GFADRP c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)cn2)c1 ZINC001164724406 720481838 /nfs/dbraw/zinc/48/18/38/720481838.db2.gz FYTIEVCJXAMKIY-YADHBBJMSA-N 2 0 393.535 2.708 20 0 GFADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834442 720504427 /nfs/dbraw/zinc/50/44/27/720504427.db2.gz GMRFXGLBOJTXGJ-XUVXKRRUSA-N 2 0 397.571 2.815 20 0 GFADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncnc4c2CC[NH2+]CC4)C3)c1 ZINC001164995302 722191805 /nfs/dbraw/zinc/19/18/05/722191805.db2.gz UEUYBUVFAFJHAP-QFIPXVFZSA-N 2 0 381.499 2.549 20 0 GFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(I)cc1)N1CC[NH+](C)CC1 ZINC000127735174 551344092 /nfs/dbraw/zinc/34/40/92/551344092.db2.gz KPGBBJKYYJAYOJ-KBPBESRZSA-N 2 0 387.309 2.578 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000152681967 551437890 /nfs/dbraw/zinc/43/78/90/551437890.db2.gz DPHFXADZFAPWNS-KEYYUXOJSA-N 2 0 382.346 2.887 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000155095366 551491170 /nfs/dbraw/zinc/49/11/70/551491170.db2.gz AOTFLFDWPCICKZ-ZIAGYGMSSA-N 2 0 387.309 2.578 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000156402458 551522212 /nfs/dbraw/zinc/52/22/12/551522212.db2.gz RHEHLBNFDWTYJO-CPUCHLNUSA-N 2 0 382.346 2.887 20 0 GFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cccc(Br)c1 ZINC000168948902 551634956 /nfs/dbraw/zinc/63/49/56/551634956.db2.gz JSIYFVJWHMFLSW-IBGZPJMESA-N 2 0 398.389 2.880 20 0 GFADRP COc1cc(Br)ccc1CCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182290755 552280163 /nfs/dbraw/zinc/28/01/63/552280163.db2.gz WYFUTICMXMVJIS-UHFFFAOYSA-N 2 0 398.389 2.960 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000247071255 553117985 /nfs/dbraw/zinc/11/79/85/553117985.db2.gz VTAGPQRUJDCCJL-CVEARBPZSA-N 2 0 385.599 2.538 20 0 GFADRP O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420374085 563263013 /nfs/dbraw/zinc/26/30/13/563263013.db2.gz NCESXKJRWJYQSO-CQSZACIVSA-N 2 0 386.323 2.516 20 0 GFADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(CCN3CCOCC3)C1)CCS2 ZINC000372779497 563317554 /nfs/dbraw/zinc/31/75/54/563317554.db2.gz HKIOJBGDTZGISR-AEFFLSMTSA-N 2 0 381.973 2.873 20 0 GFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422733240 563348163 /nfs/dbraw/zinc/34/81/63/563348163.db2.gz QQGGYMRWPMFVGZ-LBPRGKRZSA-N 2 0 391.313 2.692 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2csc(Br)c2)CC[NH2+]CC1 ZINC000422861157 563349796 /nfs/dbraw/zinc/34/97/96/563349796.db2.gz MIRJPXCGOSDALF-NSHDSACASA-N 2 0 375.332 2.922 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(Br)cs2)CC[NH2+]CC1 ZINC000422904834 563350507 /nfs/dbraw/zinc/35/05/07/563350507.db2.gz YALVRHFHULLJSG-NSHDSACASA-N 2 0 375.332 2.922 20 0 GFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422989548 563352241 /nfs/dbraw/zinc/35/22/41/563352241.db2.gz LRLIHTVJTKGEGF-PBHICJAKSA-N 2 0 382.346 2.893 20 0 GFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000423096228 563355677 /nfs/dbraw/zinc/35/56/77/563355677.db2.gz OEAZBLBHGUFHID-GVDBMIGSSA-N 2 0 399.320 2.725 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423154268 563357151 /nfs/dbraw/zinc/35/71/51/563357151.db2.gz JEKLYEUOVXPAHX-KEYYUXOJSA-N 2 0 385.346 2.586 20 0 GFADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000430966244 563550981 /nfs/dbraw/zinc/55/09/81/563550981.db2.gz OGXNYCGKNNVILR-KBPBESRZSA-N 2 0 382.346 2.855 20 0 GFADRP CC[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000411371248 563616787 /nfs/dbraw/zinc/61/67/87/563616787.db2.gz RNQMMTQPSUXPFX-UHFFFAOYSA-N 2 0 396.373 2.960 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000414676033 563750138 /nfs/dbraw/zinc/75/01/38/563750138.db2.gz HCZFKPBIFZINBX-AUUYWEPGSA-N 2 0 375.563 2.954 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000414774795 563752721 /nfs/dbraw/zinc/75/27/21/563752721.db2.gz BQPXBQVTFDOHLI-UHFFFAOYSA-N 2 0 380.330 2.704 20 0 GFADRP Clc1ccc(OCc2nc(C[NH2+]CCCN3CC[NH2+]CC3)cs2)cc1 ZINC000414785003 563752789 /nfs/dbraw/zinc/75/27/89/563752789.db2.gz UJWHCBVHBHOLRR-UHFFFAOYSA-N 2 0 380.945 2.760 20 0 GFADRP CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414769827 563752935 /nfs/dbraw/zinc/75/29/35/563752935.db2.gz XJDZIZCJNWCWLZ-JSGCOSHPSA-N 2 0 388.375 2.837 20 0 GFADRP CC[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)CC1 ZINC000449600490 564191349 /nfs/dbraw/zinc/19/13/49/564191349.db2.gz NZFPVHIUANHILH-OAHLLOKOSA-N 2 0 385.346 2.683 20 0 GFADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000566005157 564306150 /nfs/dbraw/zinc/30/61/50/564306150.db2.gz VIFDPSAMBRXRDH-MRXNPFEDSA-N 2 0 389.309 2.649 20 0 GFADRP O=S1(=O)CC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2cc(Br)ccc21 ZINC000566092097 564308482 /nfs/dbraw/zinc/30/84/82/564308482.db2.gz CWRWLLBJPGNNSU-OAHLLOKOSA-N 2 0 385.327 2.567 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1sc2ccccc2c1Cl ZINC000572091338 564580576 /nfs/dbraw/zinc/58/05/76/564580576.db2.gz UUKHJKYWDOGUBJ-UHFFFAOYSA-N 2 0 389.974 2.669 20 0 GFADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000521228437 564622480 /nfs/dbraw/zinc/62/24/80/564622480.db2.gz ZZEJQTLAYWJCIP-BDVYOWHSSA-N 2 0 385.346 2.899 20 0 GFADRP Oc1cccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000459422072 564744207 /nfs/dbraw/zinc/74/42/07/564744207.db2.gz CTGHUNOMGSLMFV-IBGZPJMESA-N 2 0 391.309 2.881 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(Br)cc1 ZINC000499524114 564929906 /nfs/dbraw/zinc/92/99/06/564929906.db2.gz UJBGLGPQGHUKED-GOSISDBHSA-N 2 0 396.373 2.866 20 0 GFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)C1 ZINC000657594860 565111339 /nfs/dbraw/zinc/11/13/39/565111339.db2.gz DRSKBYVBOBYKAH-SFHVURJKSA-N 2 0 376.298 2.701 20 0 GFADRP NC(=O)[C@H](c1cccc(Br)c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639706318 565255122 /nfs/dbraw/zinc/25/51/22/565255122.db2.gz XVEJZQJHFXQHHS-KRWDZBQOSA-N 2 0 389.297 2.583 20 0 GFADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(I)cc1 ZINC000618577411 565306359 /nfs/dbraw/zinc/30/63/59/565306359.db2.gz GYKNRSFEDVRABG-OAHLLOKOSA-N 2 0 376.282 2.910 20 0 GFADRP C[C@H]([NH2+]CCOc1ccc(I)cc1)C1CC[NH+](C)CC1 ZINC000619754099 565358428 /nfs/dbraw/zinc/35/84/28/565358428.db2.gz CAUIKDAANDYQTQ-ZDUSSCGKSA-N 2 0 388.293 2.990 20 0 GFADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000662692774 565381602 /nfs/dbraw/zinc/38/16/02/565381602.db2.gz GKYMWWMEXIFMPF-KDOFPFPSSA-N 2 0 382.346 2.860 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Br)ccc2OC)CC1 ZINC000663503274 565424439 /nfs/dbraw/zinc/42/44/39/565424439.db2.gz MTXFBNSOWZGOSA-UHFFFAOYSA-N 2 0 398.345 2.538 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1ccccc1Br ZINC000622119580 565463020 /nfs/dbraw/zinc/46/30/20/565463020.db2.gz MQRBHEPBOWOLOS-UHFFFAOYSA-N 2 0 399.377 2.864 20 0 GFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(Br)c(F)c3F)C2)CC1 ZINC000623415897 565509428 /nfs/dbraw/zinc/50/94/28/565509428.db2.gz BMSOYKVKGSYFIZ-ZDUSSCGKSA-N 2 0 388.300 2.985 20 0 GFADRP COc1cc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc(Br)c1OC(F)F ZINC000666945608 565563941 /nfs/dbraw/zinc/56/39/41/565563941.db2.gz ZZPRXIZFOHWZSZ-UWVGGRQHSA-N 2 0 383.208 2.849 20 0 GFADRP COc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1O ZINC000650707363 565833091 /nfs/dbraw/zinc/83/30/91/565833091.db2.gz DQHRPTAXRZFISI-JDFRZJQESA-N 2 0 399.329 2.882 20 0 GFADRP O[C@@H](C[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)C[NH+]1CCCC1 ZINC000629573498 565860421 /nfs/dbraw/zinc/86/04/21/565860421.db2.gz DIFVMFPKAXGLDI-ZDUSSCGKSA-N 2 0 381.826 2.569 20 0 GFADRP C[NH2+]CCOCC[N@H+](C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000629652664 565865260 /nfs/dbraw/zinc/86/52/60/565865260.db2.gz BNZHDLYTHFEFAD-UHFFFAOYSA-N 2 0 381.318 2.611 20 0 GFADRP CN1CC[NH+](CCCC[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631040192 565934432 /nfs/dbraw/zinc/93/44/32/565934432.db2.gz HJJIMTIRESSRBI-UHFFFAOYSA-N 2 0 375.742 2.615 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCOc1cccc(Cl)c1Cl ZINC000607235775 565981894 /nfs/dbraw/zinc/98/18/94/565981894.db2.gz BGFDKFKMNFJPGK-UHFFFAOYSA-N 2 0 391.343 2.507 20 0 GFADRP CC1CC[NH+]([C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c2cccs2)CC1 ZINC000655912772 566095680 /nfs/dbraw/zinc/09/56/80/566095680.db2.gz PCIBDYFRWOHOPA-TZMCWYRMSA-N 2 0 378.464 2.710 20 0 GFADRP C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH+](C)CC1 ZINC000683695750 566210183 /nfs/dbraw/zinc/21/01/83/566210183.db2.gz NBVXTLAMUCNKQW-DYVFJYSZSA-N 2 0 380.330 2.874 20 0 GFADRP CC[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736541433 598509707 /nfs/dbraw/zinc/50/97/07/598509707.db2.gz GCXHIUXUIRZWGF-UHFFFAOYSA-N 2 0 380.496 2.829 20 0 GFADRP COc1ccc(C[N@@H+]2CC[C@@H](CNc3cc(C)ccn3)C2)cc1-c1nn[nH]n1 ZINC000826194618 607499419 /nfs/dbraw/zinc/49/94/19/607499419.db2.gz QVLVXXVCZGHPKY-INIZCTEOSA-N 2 0 379.468 2.513 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000819172587 660248584 /nfs/dbraw/zinc/24/85/84/660248584.db2.gz DTGKAVQBQPZEOG-IPMKNSEASA-N 2 0 397.357 2.840 20 0 GFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000821219047 660318843 /nfs/dbraw/zinc/31/88/43/660318843.db2.gz CTQVWJOICMMUNF-UHFFFAOYSA-N 2 0 389.769 2.861 20 0 GFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@@H+]1C ZINC000127071392 654824016 /nfs/dbraw/zinc/82/40/16/654824016.db2.gz JXDNFXDGDNROFQ-HZPDHXFCSA-N 2 0 385.599 2.538 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CC[NH+](C(C)C)CC2)s1 ZINC000119389507 655302268 /nfs/dbraw/zinc/30/22/68/655302268.db2.gz TWHRFNMSIMWNQH-UHFFFAOYSA-N 2 0 387.615 2.784 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(Br)cc1 ZINC000261928699 655443065 /nfs/dbraw/zinc/44/30/65/655443065.db2.gz ZSDKNZWJEIMLCP-WMZOPIPTSA-N 2 0 380.330 2.614 20 0 GFADRP Cc1c(Br)ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1F ZINC000578281590 655475643 /nfs/dbraw/zinc/47/56/43/655475643.db2.gz USYQCBLROWRVQW-UHFFFAOYSA-N 2 0 389.313 2.854 20 0 GFADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580075320 655508132 /nfs/dbraw/zinc/50/81/32/655508132.db2.gz DTPWRMFBLJRCML-BHYGNILZSA-N 2 0 394.357 2.727 20 0 GFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)cc2)CC1 ZINC000775377424 656633736 /nfs/dbraw/zinc/63/37/36/656633736.db2.gz WYYSKUOSHPTOKS-HSALFYBXSA-N 2 0 377.623 2.903 20 0 GFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000775394846 656636051 /nfs/dbraw/zinc/63/60/51/656636051.db2.gz HBJMBFAIJMYNFT-NUJGCVRESA-N 2 0 385.643 2.582 20 0 GFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)CC1 ZINC000799177501 659171123 /nfs/dbraw/zinc/17/11/23/659171123.db2.gz REBAUJNHAHQXEH-KRWDZBQOSA-N 2 0 397.357 2.997 20 0 GFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000866702618 662490817 /nfs/dbraw/zinc/49/08/17/662490817.db2.gz DCORJOXSCLQFEJ-GOSISDBHSA-N 2 0 393.329 2.654 20 0 GFADRP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000870017803 662671381 /nfs/dbraw/zinc/67/13/81/662671381.db2.gz HIRRVXRRBBKYLP-USXIJHARSA-N 2 0 396.373 2.750 20 0 GFADRP Cc1ccc(Br)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020809 662671431 /nfs/dbraw/zinc/67/14/31/662671431.db2.gz GVENESXLKVCYOH-HUUCEWRRSA-N 2 0 382.346 2.569 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)COc2cc(Cl)cc(Cl)c2)C[C@H]1C[NH+](C)C ZINC000870020433 662671479 /nfs/dbraw/zinc/67/14/79/662671479.db2.gz BGNZPHAMDCJAJR-ZIAGYGMSSA-N 2 0 388.339 2.570 20 0 GFADRP [NH3+][C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000870948030 662711110 /nfs/dbraw/zinc/71/11/10/662711110.db2.gz MLXAPPFVTYKFLV-USXIJHARSA-N 2 0 392.272 2.541 20 0 GFADRP [NH3+][C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1cccc(Br)c1 ZINC000876982321 662869247 /nfs/dbraw/zinc/86/92/47/662869247.db2.gz YEPIJQLMRKXTRB-QGZVFWFLSA-N 2 0 380.330 2.687 20 0 GFADRP [NH3+][C@H](CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)Cc1ccccc1 ZINC000877159187 662871787 /nfs/dbraw/zinc/87/17/87/662871787.db2.gz AMZHTXYTGWHODP-SJORKVTESA-N 2 0 376.298 2.525 20 0 GFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnn4cc(Br)cnc34)C2)CC1 ZINC000877497158 662877142 /nfs/dbraw/zinc/87/71/42/662877142.db2.gz HPKFTJDGMJDRNY-UHFFFAOYSA-N 2 0 378.318 2.800 20 0 GFADRP c1csc([C@@H]2CC[NH+](CCOCC[N@@H+]3CC[C@@H](c4nccs4)C3)C2)n1 ZINC000880319223 662957824 /nfs/dbraw/zinc/95/78/24/662957824.db2.gz CZVYHLNBGNNMOO-HZPDHXFCSA-N 2 0 378.567 2.895 20 0 GFADRP Cc1ccnc(N)c1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000894948093 663491097 /nfs/dbraw/zinc/49/10/97/663491097.db2.gz HRYXOHLGAZVMOI-UHFFFAOYSA-N 2 0 378.274 2.578 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000913159159 664326859 /nfs/dbraw/zinc/32/68/59/664326859.db2.gz KEQYYYPHLDVYJV-AEFFLSMTSA-N 2 0 388.339 2.559 20 0 GFADRP Cc1c(Br)cncc1C[NH2+][C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922388433 664598249 /nfs/dbraw/zinc/59/82/49/664598249.db2.gz DWJFCTIHMXREBG-ZJPYXAASSA-N 2 0 382.346 2.722 20 0 GFADRP [NH3+]CCCOC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923298530 664627760 /nfs/dbraw/zinc/62/77/60/664627760.db2.gz VFMLAUZXXXUMHZ-AWEZNQCLSA-N 2 0 377.312 2.563 20 0 GFADRP C[C@](C[NH3+])([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000923296764 664627763 /nfs/dbraw/zinc/62/77/63/664627763.db2.gz WNUCAIZWFLGHRV-SWLSCSKDSA-N 2 0 377.710 2.559 20 0 GFADRP O[C@H](COc1ccc(Cl)cc1Br)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000923330696 664628445 /nfs/dbraw/zinc/62/84/45/664628445.db2.gz CKBWTASHIXQQHX-BBRMVZONSA-N 2 0 389.721 2.528 20 0 GFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@H](O)c3cccc(Br)c3)CC2)C1 ZINC000923380168 664629225 /nfs/dbraw/zinc/62/92/25/664629225.db2.gz VYDHTAFZVLPDAU-FGTMMUONSA-N 2 0 383.330 2.701 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(I)cc1)CC2 ZINC000923455402 664630896 /nfs/dbraw/zinc/63/08/96/664630896.db2.gz UBZFCAKBWUJMMN-OAHLLOKOSA-N 2 0 386.277 2.621 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC12CC[NH2+]CC2 ZINC000925851531 664675940 /nfs/dbraw/zinc/67/59/40/664675940.db2.gz FYNNAZGGBCFNTO-MLGOLLRUSA-N 2 0 397.288 2.850 20 0 GFADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(Br)n1)C2 ZINC000926878676 664698467 /nfs/dbraw/zinc/69/84/67/664698467.db2.gz HQLWWEOUARCSOY-FPHDVWFLSA-N 2 0 382.346 2.974 20 0 GFADRP C[N@H+](Cc1ccc(N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)nc1)C1CC1 ZINC001164692515 719759687 /nfs/dbraw/zinc/75/96/87/719759687.db2.gz UPUANANYQZCMOS-XMSQKQJNSA-N 2 0 397.498 2.869 20 0 GFADRP c1cc2c(cc[nH+]c2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH]1 ZINC001164740683 720812651 /nfs/dbraw/zinc/81/26/51/720812651.db2.gz ADDNSXPAAKQUGI-ABSDTBQOSA-N 2 0 377.496 2.534 20 0 GFADRP c1cc2c(cc[nH+]c2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH]1 ZINC001164740684 720812701 /nfs/dbraw/zinc/81/27/01/720812701.db2.gz ADDNSXPAAKQUGI-FUHIMQAGSA-N 2 0 377.496 2.534 20 0 GFADRP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(N(C)C)cc[nH+]3)C2)C1 ZINC001164779970 721349637 /nfs/dbraw/zinc/34/96/37/721349637.db2.gz XOWPFPLGUNUDEY-QFIPXVFZSA-N 2 0 399.539 2.871 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCc4ncnc(C5CC5)c4CC3)c2)CC1 ZINC001164915401 721804317 /nfs/dbraw/zinc/80/43/17/721804317.db2.gz JTDBOTYMTABYAX-UHFFFAOYSA-N 2 0 379.508 2.827 20 0 GFADRP c1ccc(N(c2ncccc2C[NH+]2CCCC2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)nc1 ZINC001164958152 722051348 /nfs/dbraw/zinc/05/13/48/722051348.db2.gz DBPYJLXLLZNFSI-DWLFOUALSA-N 2 0 393.535 2.978 20 0 GFADRP Cc1ccc(Cl)c(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000126099906 551325944 /nfs/dbraw/zinc/32/59/44/551325944.db2.gz IXBJACDVLGXKSZ-UHFFFAOYSA-N 2 0 375.966 2.543 20 0 GFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000155811472 551508018 /nfs/dbraw/zinc/50/80/18/551508018.db2.gz FIPSEHJAOVJRCB-UHFFFAOYSA-N 2 0 382.346 2.501 20 0 GFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC000185887725 552372668 /nfs/dbraw/zinc/37/26/68/552372668.db2.gz WEBHHAOEPXFOBP-UHFFFAOYSA-N 2 0 394.361 2.603 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000261757131 553158772 /nfs/dbraw/zinc/15/87/72/553158772.db2.gz NDJYPMOGINOCBZ-WMZOPIPTSA-N 2 0 380.330 2.710 20 0 GFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261788984 553159246 /nfs/dbraw/zinc/15/92/46/553159246.db2.gz PYBLBOKPDCDZPJ-RDTXWAMCSA-N 2 0 382.346 2.860 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(F)cc(Br)c2)CC[NH2+]CC1 ZINC000422731674 563348159 /nfs/dbraw/zinc/34/81/59/563348159.db2.gz MDIXFTMOCFPGQS-GFCCVEGCSA-N 2 0 387.293 2.999 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000422756747 563349307 /nfs/dbraw/zinc/34/93/07/563349307.db2.gz HZZJJMQCDIJXIG-CQSZACIVSA-N 2 0 383.330 2.903 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422871438 563350197 /nfs/dbraw/zinc/35/01/97/563350197.db2.gz CVWVZETVISOPPF-QWHCGFSZSA-N 2 0 380.842 2.676 20 0 GFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000422948172 563351614 /nfs/dbraw/zinc/35/16/14/563351614.db2.gz ZYMBFDUWWUNEQE-DOMZBBRYSA-N 2 0 394.313 2.702 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Cl)cc1I ZINC000423088489 563354973 /nfs/dbraw/zinc/35/49/73/563354973.db2.gz QHMQKADOYGKJEO-GFCCVEGCSA-N 2 0 382.673 2.788 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CCCOc2cc(Cl)ccc21)N1CC[NH2+]CC1 ZINC000423395465 563360511 /nfs/dbraw/zinc/36/05/11/563360511.db2.gz SPYKYHJZRDHHBD-GOEBONIOSA-N 2 0 377.838 2.979 20 0 GFADRP COCC1(C[NH2+][C@@H](C)c2ccccc2I)CC[NH2+]CC1 ZINC000423406324 563360599 /nfs/dbraw/zinc/36/05/99/563360599.db2.gz KMYBNIAXANDYEL-ZDUSSCGKSA-N 2 0 388.293 2.958 20 0 GFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423466407 563361399 /nfs/dbraw/zinc/36/13/99/563361399.db2.gz ANTURAINSVJMGU-GHMZBOCLSA-N 2 0 380.341 2.824 20 0 GFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(I)c2)CC1 ZINC000283791224 563454390 /nfs/dbraw/zinc/45/43/90/563454390.db2.gz ABXKOXGBSYJLPH-UHFFFAOYSA-N 2 0 388.293 2.616 20 0 GFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000414370025 563730280 /nfs/dbraw/zinc/73/02/80/563730280.db2.gz UWOAGUWCBUVZAK-UHFFFAOYSA-N 2 0 387.977 2.835 20 0 GFADRP CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414751588 563751853 /nfs/dbraw/zinc/75/18/53/563751853.db2.gz SQXLILCKDWSZNC-ZDUSSCGKSA-N 2 0 386.309 2.607 20 0 GFADRP C[C@@H]1c2cccc(Br)c2CC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414741795 563751989 /nfs/dbraw/zinc/75/19/89/563751989.db2.gz FSFFAFCOJNMEHJ-ZIAGYGMSSA-N 2 0 380.330 2.566 20 0 GFADRP Brc1ccc(-c2ncc(C[NH2+]CCCN3CC[NH2+]CC3)s2)cc1 ZINC000414780156 563752685 /nfs/dbraw/zinc/75/26/85/563752685.db2.gz KRJBEPPCOMIXPE-UHFFFAOYSA-N 2 0 395.370 2.958 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]([NH3+])C2CC2)CC1 ZINC000414895499 563753785 /nfs/dbraw/zinc/75/37/85/563753785.db2.gz XRXQZMNPPSPXRU-QGZVFWFLSA-N 2 0 380.330 2.689 20 0 GFADRP FC(F)Oc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000414985642 563755938 /nfs/dbraw/zinc/75/59/38/563755938.db2.gz NFWUMMPOLKCVBP-ZDUSSCGKSA-N 2 0 387.780 2.867 20 0 GFADRP COc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc(I)c1OC ZINC000415041401 563756937 /nfs/dbraw/zinc/75/69/37/563756937.db2.gz PVTGWKLIGLJJQW-JQWIXIFHSA-N 2 0 390.265 2.525 20 0 GFADRP C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000416552867 563846864 /nfs/dbraw/zinc/84/68/64/563846864.db2.gz IHZPAPRWSCSDDI-UHFFFAOYSA-N 2 0 381.567 2.562 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1oc(Br)cc1C ZINC000505808084 564190729 /nfs/dbraw/zinc/19/07/29/564190729.db2.gz UZBWXTHHZFPCBH-CQSZACIVSA-N 2 0 386.334 2.839 20 0 GFADRP CCSc1cccc(Br)c1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000563497309 564193216 /nfs/dbraw/zinc/19/32/16/564193216.db2.gz WRJWXXWICWJZBX-NSHDSACASA-N 2 0 387.347 2.668 20 0 GFADRP COc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1Br ZINC000563708675 564203507 /nfs/dbraw/zinc/20/35/07/564203507.db2.gz MIUGKJDOPZIJQR-UHFFFAOYSA-N 2 0 384.362 2.916 20 0 GFADRP C[N@@H+]1CCCC12CCN(C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000542266645 564307753 /nfs/dbraw/zinc/30/77/53/564307753.db2.gz JKJUZLCVIFZCTC-MRXNPFEDSA-N 2 0 383.330 2.749 20 0 GFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000567652892 564381074 /nfs/dbraw/zinc/38/10/74/564381074.db2.gz GWYKCGYZDXUXAF-NNYUYHANSA-N 2 0 392.352 2.680 20 0 GFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000479295878 564435556 /nfs/dbraw/zinc/43/55/56/564435556.db2.gz XUGGWEGEPSCDKG-ZBFHGGJFSA-N 2 0 382.346 2.557 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453339434 564453850 /nfs/dbraw/zinc/45/38/50/564453850.db2.gz BVIHKJRZIWXAAB-GRDNDAEWSA-N 2 0 385.346 2.681 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000570162273 564494545 /nfs/dbraw/zinc/49/45/45/564494545.db2.gz IKCNLLUTLQEIEZ-AETAKHFUSA-N 2 0 394.357 2.855 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)C[C@@H]21 ZINC000573685258 564649815 /nfs/dbraw/zinc/64/98/15/564649815.db2.gz ZMPGTZFLJDPEAG-OSAQELSMSA-N 2 0 384.293 2.976 20 0 GFADRP Cn1cncc1CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000459441556 564744668 /nfs/dbraw/zinc/74/46/68/564744668.db2.gz YJQBOTSRSDLYTN-UHFFFAOYSA-N 2 0 381.293 2.682 20 0 GFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000556260480 564816300 /nfs/dbraw/zinc/81/63/00/564816300.db2.gz PMFBARNISIXBGO-HOTGVXAUSA-N 2 0 384.362 2.957 20 0 GFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000583644295 564900788 /nfs/dbraw/zinc/90/07/88/564900788.db2.gz XPUZZJMOKWOJJQ-WBVHZDCISA-N 2 0 380.374 2.922 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000531357969 564907643 /nfs/dbraw/zinc/90/76/43/564907643.db2.gz XKAKFZUQAHMMCX-IAGOWNOFSA-N 2 0 382.346 2.504 20 0 GFADRP O=C1[C@@H]([NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CCN1c1cccc(Br)c1 ZINC000584173059 564924442 /nfs/dbraw/zinc/92/44/42/564924442.db2.gz RGZMFIKXRZYVPF-YJBOKZPZSA-N 2 0 392.341 2.876 20 0 GFADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000562838214 565044610 /nfs/dbraw/zinc/04/46/10/565044610.db2.gz BTXUTPJLUQMYME-WMZOPIPTSA-N 2 0 396.329 2.606 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)NCc1nccn1CC(F)(F)F)c1cccs1 ZINC000590150348 565179196 /nfs/dbraw/zinc/17/91/96/565179196.db2.gz WUCCFOIPONMQHI-LLVKDONJSA-N 2 0 375.420 2.609 20 0 GFADRP CC(C)[C@H]([NH3+])CCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000659625697 565221293 /nfs/dbraw/zinc/22/12/93/565221293.db2.gz XPGFQKYTCUNXIS-QGZVFWFLSA-N 2 0 399.377 2.896 20 0 GFADRP CN1CCN(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)[C@@H](C[NH3+])C1 ZINC000659626288 565221386 /nfs/dbraw/zinc/22/13/86/565221386.db2.gz AEKSVCHYTFABKP-RDJZCZTQSA-N 2 0 395.345 2.501 20 0 GFADRP CN1CCN(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)[C@@H](C[NH3+])C1 ZINC000659626286 565221572 /nfs/dbraw/zinc/22/15/72/565221572.db2.gz AEKSVCHYTFABKP-DOTOQJQBSA-N 2 0 395.345 2.501 20 0 GFADRP CN1CCN(C(=O)C2CCN(Cc3cc(Cl)cc(Cl)c3N)CC2)CC1 ZINC000639168938 565230676 /nfs/dbraw/zinc/23/06/76/565230676.db2.gz FBMFFBFSPXNJDT-UHFFFAOYSA-N 2 0 385.339 2.562 20 0 GFADRP Brc1ccc(N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)nc1 ZINC000662260158 565358201 /nfs/dbraw/zinc/35/82/01/565358201.db2.gz GPFMNTJXQNYZRS-UHFFFAOYSA-N 2 0 387.325 2.812 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000662590503 565378603 /nfs/dbraw/zinc/37/86/03/565378603.db2.gz AILIPIIBFDSYBE-HNAYVOBHSA-N 2 0 394.357 2.861 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC000666701988 565553259 /nfs/dbraw/zinc/55/32/59/565553259.db2.gz VYOSKBRTANPPFO-YOEHRIQHSA-N 2 0 380.330 2.783 20 0 GFADRP Brc1cnc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000666953627 565564572 /nfs/dbraw/zinc/56/45/72/565564572.db2.gz CQJBBLQBXXFXGE-GFCCVEGCSA-N 2 0 375.108 2.838 20 0 GFADRP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)Nc1ccccc1Br)CCO2 ZINC000646106227 565586449 /nfs/dbraw/zinc/58/64/49/565586449.db2.gz SXDDUPPZEIPFGV-UHFFFAOYSA-N 2 0 396.329 2.574 20 0 GFADRP CC[N@H+](C)C[C@@H]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214704 565606894 /nfs/dbraw/zinc/60/68/94/565606894.db2.gz NFEUQKGYEKCEGK-GUYCJALGSA-N 2 0 380.330 2.976 20 0 GFADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647799503 565676576 /nfs/dbraw/zinc/67/65/76/565676576.db2.gz IJCZGRIQQVLAAE-DZOHQFGASA-N 2 0 381.358 2.886 20 0 GFADRP Ic1ccc(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000602514062 565853019 /nfs/dbraw/zinc/85/30/19/565853019.db2.gz KYABJCVXRRIPNX-UHFFFAOYSA-N 2 0 380.295 2.555 20 0 GFADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000629568007 565859119 /nfs/dbraw/zinc/85/91/19/565859119.db2.gz RIHOMJVVWHYLLE-QWHCGFSZSA-N 2 0 376.328 2.727 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000651460481 565864622 /nfs/dbraw/zinc/86/46/22/565864622.db2.gz KLZOVNFMRMFFRS-ZBFHGGJFSA-N 2 0 399.373 2.929 20 0 GFADRP COc1c(Br)cc(C[N@H+](C)CCOCC[NH3+])cc1Br ZINC000629665382 565866484 /nfs/dbraw/zinc/86/64/84/565866484.db2.gz VEJAWSDLFLWOSX-UHFFFAOYSA-N 2 0 396.123 2.627 20 0 GFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(OC)c(Br)cc2F)CC1 ZINC000631040306 565935060 /nfs/dbraw/zinc/93/50/60/565935060.db2.gz BBPXHUVQTCVYNT-ZDUSSCGKSA-N 2 0 388.325 2.712 20 0 GFADRP Cc1c(Br)csc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000631258631 565951005 /nfs/dbraw/zinc/95/10/05/565951005.db2.gz CKVANWLQGDEYGX-LBPRGKRZSA-N 2 0 386.359 2.717 20 0 GFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000656153169 566106673 /nfs/dbraw/zinc/10/66/73/566106673.db2.gz GXGIBPOEGJFION-YUTCNCBUSA-N 2 0 391.737 2.772 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682493758 566158239 /nfs/dbraw/zinc/15/82/39/566158239.db2.gz WJNQJXQHIALRSN-UHFFFAOYSA-N 2 0 390.753 2.597 20 0 GFADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635005408 566188017 /nfs/dbraw/zinc/18/80/17/566188017.db2.gz IQPZMDMTTWWOLT-RHSMWYFYSA-N 2 0 378.314 2.549 20 0 GFADRP c1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc(-c2nn[nH]n2)c1 ZINC000738411191 598466273 /nfs/dbraw/zinc/46/62/73/598466273.db2.gz RVWVGKQPPWZEQP-UHFFFAOYSA-N 2 0 378.480 2.631 20 0 GFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824937240 608279864 /nfs/dbraw/zinc/27/98/64/608279864.db2.gz OYPMOHIXMFICJX-OXQOHEQNSA-N 2 0 384.528 2.878 20 0 GFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000826157826 608378174 /nfs/dbraw/zinc/37/81/74/608378174.db2.gz NIZBGAACRMQEDT-UHFFFAOYSA-N 2 0 390.507 2.576 20 0 GFADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826517835 608430120 /nfs/dbraw/zinc/43/01/20/608430120.db2.gz QICPJCRCEHMSGS-UHFFFAOYSA-N 2 0 392.507 2.674 20 0 GFADRP C[NH+](C)CCOc1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000825870610 608519182 /nfs/dbraw/zinc/51/91/82/608519182.db2.gz UTWWHRSZNGIZLB-UHFFFAOYSA-N 2 0 392.507 2.972 20 0 GFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824984987 609138419 /nfs/dbraw/zinc/13/84/19/609138419.db2.gz QAHSWCORUOUSAE-RBSFLKMASA-N 2 0 376.480 2.546 20 0 GFADRP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826201792 609444423 /nfs/dbraw/zinc/44/44/23/609444423.db2.gz DNLAMTNLWVDORQ-QFBILLFUSA-N 2 0 392.507 2.876 20 0 GFADRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)c3cccc(Br)c3)CC2)CC1 ZINC000818988195 660241981 /nfs/dbraw/zinc/24/19/81/660241981.db2.gz LYACWPASVWZYRC-IBGZPJMESA-N 2 0 396.373 2.631 20 0 GFADRP COc1cc2[nH+]ccc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c2cc1Br ZINC000819910871 660274363 /nfs/dbraw/zinc/27/43/63/660274363.db2.gz BVGUGZRWAREVME-OLZOCXBDSA-N 2 0 392.297 2.703 20 0 GFADRP COCCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000268997176 654994501 /nfs/dbraw/zinc/99/45/01/654994501.db2.gz OBLPDQAIBHEQFE-KRWDZBQOSA-N 2 0 385.346 2.963 20 0 GFADRP C[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)N1CC[NH+](C)CC1 ZINC000105467347 655093295 /nfs/dbraw/zinc/09/32/95/655093295.db2.gz MGDOVCDQOBPCKM-LBPRGKRZSA-N 2 0 392.288 2.776 20 0 GFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCOc3cccc(Br)c3)C2)CC1 ZINC000107371566 655120431 /nfs/dbraw/zinc/12/04/31/655120431.db2.gz NGGVRDDITFCFNF-QGZVFWFLSA-N 2 0 382.346 2.540 20 0 GFADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000114456776 655224543 /nfs/dbraw/zinc/22/45/43/655224543.db2.gz PFAZHFPLEIEUFX-UHFFFAOYSA-N 2 0 396.373 2.912 20 0 GFADRP C[N@H+](CC1CC[NH+](C)CC1)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000839990138 661122603 /nfs/dbraw/zinc/12/26/03/661122603.db2.gz CYPOZUNDJJHFND-GOSISDBHSA-N 2 0 394.357 2.996 20 0 GFADRP C[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000578009728 655471035 /nfs/dbraw/zinc/47/10/35/655471035.db2.gz BERXMYMUNKPFTD-RDTXWAMCSA-N 2 0 382.346 2.861 20 0 GFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000751997978 655838224 /nfs/dbraw/zinc/83/82/24/655838224.db2.gz KFXXJIYDOOANIT-CRAIPNDOSA-N 2 0 385.346 2.915 20 0 GFADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000780849842 657032740 /nfs/dbraw/zinc/03/27/40/657032740.db2.gz SJRQXNZQGKUQAK-ZROIWOOFSA-N 2 0 385.961 2.598 20 0 GFADRP C[NH+](C)CC1CC[NH+](CN2CC(c3ccc(Br)cc3)=CC2=O)CC1 ZINC000844694183 661434282 /nfs/dbraw/zinc/43/42/82/661434282.db2.gz IXPFRPZMWPVTFC-UHFFFAOYSA-N 2 0 392.341 2.906 20 0 GFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2nc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000894360374 663457672 /nfs/dbraw/zinc/45/76/72/663457672.db2.gz ZXCBCZAMMYSEGZ-GDBMZVCRSA-N 2 0 392.345 2.968 20 0 GFADRP C[NH+](C)C[C@@H]1CN(c2nc3cc(Br)ccc3o2)C[C@H]1C[NH+](C)C ZINC000894872286 663486040 /nfs/dbraw/zinc/48/60/40/663486040.db2.gz RFUOOUPOJFFFLZ-CHWSQXEVSA-N 2 0 381.318 2.766 20 0 GFADRP Brc1cccc(C2([NH2+]C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCOCC2)c1 ZINC000903733575 663805492 /nfs/dbraw/zinc/80/54/92/663805492.db2.gz NXDLXJSWBFBAOW-ZWKOTPCHSA-N 2 0 395.341 2.813 20 0 GFADRP C[C@H](Cc1ccccc1Br)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903921899 663811714 /nfs/dbraw/zinc/81/17/14/663811714.db2.gz SJDDBGRCLPZCIV-UKRRQHHQSA-N 2 0 378.318 2.686 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc(Br)cc3c1OCC3)CC2 ZINC000904391796 663832311 /nfs/dbraw/zinc/83/23/11/663832311.db2.gz JUTDMTNVSRJIMM-INIZCTEOSA-N 2 0 381.314 2.714 20 0 GFADRP COc1cc(Br)c(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(OC)c1 ZINC000904392333 663832377 /nfs/dbraw/zinc/83/23/77/663832377.db2.gz PTOHPEVOGOANFJ-CQSZACIVSA-N 2 0 399.329 2.796 20 0 GFADRP [NH3+]C1(CNC(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)CCCCC1 ZINC000911652851 664251899 /nfs/dbraw/zinc/25/18/99/664251899.db2.gz WKLDOHJXSCMVHV-UHFFFAOYSA-N 2 0 394.357 2.848 20 0 GFADRP CN(CC(C)(C)C[NH3+])C(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000911866469 664259631 /nfs/dbraw/zinc/25/96/31/664259631.db2.gz AVLGFTCTDLUUHC-UHFFFAOYSA-N 2 0 382.346 2.514 20 0 GFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923288472 664627386 /nfs/dbraw/zinc/62/73/86/664627386.db2.gz KEOKWXQLVJLAMI-OUCADQQQSA-N 2 0 391.737 2.901 20 0 GFADRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000923289634 664627601 /nfs/dbraw/zinc/62/76/01/664627601.db2.gz RFOZCLJGTJFJJG-SCDSUCTJSA-N 2 0 377.710 2.511 20 0 GFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923329458 664628344 /nfs/dbraw/zinc/62/83/44/664628344.db2.gz JRSSLIKIRVNXOQ-UYTSQGDYSA-N 2 0 387.293 2.672 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H](O)COc1cc(Cl)ccc1Cl)CC2 ZINC000923438659 664630616 /nfs/dbraw/zinc/63/06/16/664630616.db2.gz BGMMESKQFRRRGS-CABCVRRESA-N 2 0 389.323 2.563 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@H](O)COc1ccc(Cl)cc1Cl)CC2 ZINC000923446092 664630692 /nfs/dbraw/zinc/63/06/92/664630692.db2.gz ZPDMCXFBVVLEPA-LSDHHAIUSA-N 2 0 389.323 2.563 20 0 GFADRP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923456258 664630900 /nfs/dbraw/zinc/63/09/00/664630900.db2.gz XBIJXFXZJDMMTR-CZUORRHYSA-N 2 0 396.329 2.606 20 0 GFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1nc(Br)ccc1F ZINC000926686506 664695269 /nfs/dbraw/zinc/69/52/69/664695269.db2.gz PRZOZMRPVGUWQA-QWHCGFSZSA-N 2 0 375.330 2.906 20 0 GFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(n3cc(Br)cn3)CC2)[C@H](C)C1 ZINC000927008118 664702238 /nfs/dbraw/zinc/70/22/38/664702238.db2.gz NBRORGKMAFRTLW-NVXWUHKLSA-N 2 0 399.377 2.861 20 0 GFADRP CCOC(=O)C1CC[NH+](C2CCN(c3cc(-n4ccnc4)cc[nH+]3)CC2)CC1 ZINC001164618602 719034089 /nfs/dbraw/zinc/03/40/89/719034089.db2.gz VKFGDQFSZPJPIL-UHFFFAOYSA-N 2 0 383.496 2.511 20 0 GFADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C[NH+](C)C)ccn3)CC[C@@H]21 ZINC001164838752 720624857 /nfs/dbraw/zinc/62/48/57/720624857.db2.gz LMKBODYWJGPVFJ-HKBOAZHASA-N 2 0 382.556 2.718 20 0 GFADRP c1cncc(CO[C@H]2C[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[N@@H+]3C2)c1 ZINC001164867272 721114863 /nfs/dbraw/zinc/11/48/63/721114863.db2.gz XPAJIHDJLRQIOX-SFTDATJTSA-N 2 0 379.508 2.557 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)c2)CC1 ZINC001164784317 721434815 /nfs/dbraw/zinc/43/48/15/721434815.db2.gz LAZBAYRWLKWZOX-IRXDYDNUSA-N 2 0 399.564 2.579 20 0 GFADRP C[N@H+](Cc1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)nc1)C1CC1 ZINC001164958020 722051260 /nfs/dbraw/zinc/05/12/60/722051260.db2.gz AKWVNUUWJHTXMA-KKLQWCBXSA-N 2 0 393.535 2.976 20 0 GFADRP CN(C)c1cc[nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164962369 722055607 /nfs/dbraw/zinc/05/56/07/722055607.db2.gz DIAYADPQRXYQJB-UHFFFAOYSA-N 2 0 381.524 2.662 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000154973430 551487749 /nfs/dbraw/zinc/48/77/49/551487749.db2.gz JUCOERORWDVWER-YOEHRIQHSA-N 2 0 382.346 2.888 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000154973239 551487844 /nfs/dbraw/zinc/48/78/44/551487844.db2.gz JUCOERORWDVWER-WMLDXEAASA-N 2 0 382.346 2.888 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000156396758 551521582 /nfs/dbraw/zinc/52/15/82/551521582.db2.gz PDWRTZGPBCVFKA-PBHICJAKSA-N 2 0 382.346 2.889 20 0 GFADRP C[C@@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000178771373 552174836 /nfs/dbraw/zinc/17/48/36/552174836.db2.gz ZJKVWMCRPHGBDO-WMLDXEAASA-N 2 0 382.346 2.888 20 0 GFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ncc(Br)cc2F)CC1 ZINC000187159553 552408461 /nfs/dbraw/zinc/40/84/61/552408461.db2.gz BOTZFYBXKJDFRY-KBPBESRZSA-N 2 0 387.341 2.907 20 0 GFADRP C(CC[NH+]1CCS[C@H]2COCC[C@H]21)CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000246777821 553112642 /nfs/dbraw/zinc/11/26/42/553112642.db2.gz IIFJSZLWZLEWHD-SEXKYXSUSA-N 2 0 386.627 2.569 20 0 GFADRP C[C@@]([NH3+])(C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000261617788 553154736 /nfs/dbraw/zinc/15/47/36/553154736.db2.gz AJBPRLCEGCASSR-SFHVURJKSA-N 2 0 380.330 2.614 20 0 GFADRP CC[NH+]1CCC(CCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261695093 553156552 /nfs/dbraw/zinc/15/65/52/553156552.db2.gz HWPGANWEMBIKLH-SFHVURJKSA-N 2 0 382.346 2.861 20 0 GFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261761712 553158450 /nfs/dbraw/zinc/15/84/50/553158450.db2.gz JTQUTVIRKPFEKW-HNAYVOBHSA-N 2 0 394.357 2.813 20 0 GFADRP C[C@@H](CC[NH3+])NC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000418518130 563219306 /nfs/dbraw/zinc/21/93/06/563219306.db2.gz FKYBIUSVIBEVHR-AWEZNQCLSA-N 2 0 397.361 2.792 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418547011 563220179 /nfs/dbraw/zinc/22/01/79/563220179.db2.gz IONFIVFIWWMRDT-QGZVFWFLSA-N 2 0 397.361 2.664 20 0 GFADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(CCN3CCOCC3)C1)CCS2 ZINC000372779504 563317551 /nfs/dbraw/zinc/31/75/51/563317551.db2.gz HKIOJBGDTZGISR-WMZOPIPTSA-N 2 0 381.973 2.873 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422797356 563349526 /nfs/dbraw/zinc/34/95/26/563349526.db2.gz MEYRYDKGSAVAAX-NKGKWGDASA-N 2 0 383.330 2.963 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422797355 563349897 /nfs/dbraw/zinc/34/98/97/563349897.db2.gz MEYRYDKGSAVAAX-BVPBIZIASA-N 2 0 383.330 2.963 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccsc2Br)CC[NH2+]CC1 ZINC000423116869 563356385 /nfs/dbraw/zinc/35/63/85/563356385.db2.gz RVFGYXBDEQDBMR-LLVKDONJSA-N 2 0 375.332 2.922 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423151482 563356679 /nfs/dbraw/zinc/35/66/79/563356679.db2.gz DIPPVJFHZKFCGF-JQFCIGGWSA-N 2 0 385.346 2.858 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000423165266 563357792 /nfs/dbraw/zinc/35/77/92/563357792.db2.gz UFHNDCHEBSCDSZ-ZMSDIMECSA-N 2 0 385.346 2.716 20 0 GFADRP COc1cc([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1SC ZINC000423377718 563360461 /nfs/dbraw/zinc/36/04/61/563360461.db2.gz FGDQGQOADDKQCP-BLLLJJGKSA-N 2 0 377.476 2.904 20 0 GFADRP COc1cc([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1SC ZINC000423377734 563360504 /nfs/dbraw/zinc/36/05/04/563360504.db2.gz FGDQGQOADDKQCP-WBMJQRKESA-N 2 0 377.476 2.904 20 0 GFADRP C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430604232 563546874 /nfs/dbraw/zinc/54/68/74/563546874.db2.gz PTDLJVUABONWLY-GJZGRUSLSA-N 2 0 380.330 2.654 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)NC2(c3ccc(Br)cc3)CC2)CC1 ZINC000433143803 563604086 /nfs/dbraw/zinc/60/40/86/563604086.db2.gz JGLIRQFSJHEXCN-UHFFFAOYSA-N 2 0 380.330 2.758 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000333246116 563625560 /nfs/dbraw/zinc/62/55/60/563625560.db2.gz FTTCJCUXNWGXNJ-SIVJFFJCSA-N 2 0 386.359 2.808 20 0 GFADRP CN1CCN(C(=O)C2CCN(Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC000289967029 563692788 /nfs/dbraw/zinc/69/27/88/563692788.db2.gz YWWRNLYBSAZVRE-UHFFFAOYSA-N 2 0 398.320 2.574 20 0 GFADRP Cc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Br)c1 ZINC000414970667 563755363 /nfs/dbraw/zinc/75/53/63/563755363.db2.gz HPLHZGLOJVZWHA-CQSZACIVSA-N 2 0 380.252 2.683 20 0 GFADRP CCS(=O)(=O)CCCCC[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000365278297 563779683 /nfs/dbraw/zinc/77/96/83/563779683.db2.gz KRKKDZXNRDSIDK-YJBOKZPZSA-N 2 0 387.615 2.857 20 0 GFADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062704 563790422 /nfs/dbraw/zinc/79/04/22/563790422.db2.gz VCRMDSDVKBWMCT-LSDHHAIUSA-N 2 0 382.346 2.857 20 0 GFADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H]1c1cccs1 ZINC000416017222 563802531 /nfs/dbraw/zinc/80/25/31/563802531.db2.gz XXDVFPUVLFZAHW-BNOWGMLFSA-N 2 0 378.464 2.710 20 0 GFADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C[NH+](C)[C@@H]3CCSC3)C2)s1 ZINC000563266337 564183022 /nfs/dbraw/zinc/18/30/22/564183022.db2.gz NBUFXFWEKKCYNI-DLBZAZTESA-N 2 0 381.611 2.774 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sccc1Br ZINC000505816752 564190948 /nfs/dbraw/zinc/19/09/48/564190948.db2.gz AOQZBXFCPLLRAG-CYBMUJFWSA-N 2 0 388.375 2.999 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(Cl)c1F ZINC000508078129 564252789 /nfs/dbraw/zinc/25/27/89/564252789.db2.gz GZXIYEOLQINCKH-CQSZACIVSA-N 2 0 391.940 2.516 20 0 GFADRP Ic1ccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000511038150 564355044 /nfs/dbraw/zinc/35/50/44/564355044.db2.gz NVKIZUVJSAMYHG-CABCVRRESA-N 2 0 386.277 2.886 20 0 GFADRP O=C(C[N@@H+]1CCC[C@]2(CCSC2)C1)N1CCN(Cc2cccs2)CC1 ZINC000451967278 564373210 /nfs/dbraw/zinc/37/32/10/564373210.db2.gz QPMAULBAOYLHPN-IBGZPJMESA-N 2 0 379.595 2.611 20 0 GFADRP C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512542104 564405296 /nfs/dbraw/zinc/40/52/96/564405296.db2.gz KPROFMMARLXJCE-FCLJQHQZSA-N 2 0 383.330 2.746 20 0 GFADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1Br)C1CC1)N1CC[NH+](C)CC1 ZINC000453089355 564446015 /nfs/dbraw/zinc/44/60/15/564446015.db2.gz AXWDVVQNXJNUBM-BEFAXECRSA-N 2 0 380.374 2.996 20 0 GFADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000569364028 564461059 /nfs/dbraw/zinc/46/10/59/564461059.db2.gz WZPVTAMQCCGJNF-ZDUSSCGKSA-N 2 0 378.929 2.750 20 0 GFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(Br)o2)CC1 ZINC000480384103 564470140 /nfs/dbraw/zinc/47/01/40/564470140.db2.gz CYOKBFIEDDMIQR-UHFFFAOYSA-N 2 0 386.334 2.758 20 0 GFADRP C[C@@H](C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C[NH+]1CCCC1 ZINC000569715487 564475383 /nfs/dbraw/zinc/47/53/83/564475383.db2.gz MDAMQJJPXNFRFU-XJKSGUPXSA-N 2 0 389.309 2.649 20 0 GFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000570827340 564523596 /nfs/dbraw/zinc/52/35/96/564523596.db2.gz QLVNXCUFXCGVLR-ZIAGYGMSSA-N 2 0 389.359 2.861 20 0 GFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000482884370 564552285 /nfs/dbraw/zinc/55/22/85/564552285.db2.gz CEJWJXLQBNDOMW-WMLDXEAASA-N 2 0 382.346 2.727 20 0 GFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000572393430 564592857 /nfs/dbraw/zinc/59/28/57/564592857.db2.gz JTDCDEVTUIWHSX-CZUORRHYSA-N 2 0 389.309 2.649 20 0 GFADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752937 564609406 /nfs/dbraw/zinc/60/94/06/564609406.db2.gz PAJUVOREHAHMHE-GOEBONIOSA-N 2 0 391.339 2.824 20 0 GFADRP CCCn1ccnc1CCC[N@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000572964684 564617543 /nfs/dbraw/zinc/61/75/43/564617543.db2.gz VMZOUDOCKPTEFF-UHFFFAOYSA-N 2 0 384.933 2.659 20 0 GFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000492995919 564805540 /nfs/dbraw/zinc/80/55/40/564805540.db2.gz UBFVMSYTFIRUFX-XMMPIXPASA-N 2 0 392.396 2.670 20 0 GFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000556260487 564815942 /nfs/dbraw/zinc/81/59/42/564815942.db2.gz PMFBARNISIXBGO-JKSUJKDBSA-N 2 0 384.362 2.957 20 0 GFADRP C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530641084 564890319 /nfs/dbraw/zinc/89/03/19/564890319.db2.gz ARGUQQSXXATBPQ-CYBMUJFWSA-N 2 0 376.328 2.713 20 0 GFADRP O=C1[C@H]([NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CCN1c1cccc(Br)c1 ZINC000584173057 564924479 /nfs/dbraw/zinc/92/44/79/564924479.db2.gz RGZMFIKXRZYVPF-MAUKXSAKSA-N 2 0 392.341 2.876 20 0 GFADRP Cc1nn(C)c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1Br ZINC000657613194 565113185 /nfs/dbraw/zinc/11/31/85/565113185.db2.gz HVEQWYYAHFLQHB-UHFFFAOYSA-N 2 0 392.345 2.888 20 0 GFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(I)cc3)C2)CC1 ZINC000590645246 565195141 /nfs/dbraw/zinc/19/51/41/565195141.db2.gz HTEZXTSDGFVENJ-INIZCTEOSA-N 2 0 399.320 2.549 20 0 GFADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698709 565382238 /nfs/dbraw/zinc/38/22/38/565382238.db2.gz LNDSLEBNODYAGW-INIZCTEOSA-N 2 0 375.460 2.618 20 0 GFADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698229 565382425 /nfs/dbraw/zinc/38/24/25/565382425.db2.gz JWVWXRHINOQBKA-BBRMVZONSA-N 2 0 375.460 2.618 20 0 GFADRP C[C@]([NH3+])(C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000662971595 565391300 /nfs/dbraw/zinc/39/13/00/565391300.db2.gz IOPXCMDMHUYWTO-LJQANCHMSA-N 2 0 394.357 2.861 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595018337 565443920 /nfs/dbraw/zinc/44/39/20/565443920.db2.gz NPWSQWJZVHMZAS-CXAGYDPISA-N 2 0 399.320 2.504 20 0 GFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000644533217 565480496 /nfs/dbraw/zinc/48/04/96/565480496.db2.gz FFQVSEGVWOLGJF-QGZVFWFLSA-N 2 0 385.346 2.900 20 0 GFADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632306 565486652 /nfs/dbraw/zinc/48/66/52/565486652.db2.gz WIYPOGKDEVDGBV-LSDHHAIUSA-N 2 0 391.339 2.824 20 0 GFADRP CC[N@H+](C)C[C@@H]1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214708 565607229 /nfs/dbraw/zinc/60/72/29/565607229.db2.gz NFEUQKGYEKCEGK-SUMWQHHRSA-N 2 0 380.330 2.976 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(O)cc(Br)c1 ZINC000625541236 565637839 /nfs/dbraw/zinc/63/78/39/565637839.db2.gz WNAXPALWZCNLKL-UHFFFAOYSA-N 2 0 386.334 2.500 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647181223 565644236 /nfs/dbraw/zinc/64/42/36/565644236.db2.gz QKSPOGZNYVIDAJ-LBPRGKRZSA-N 2 0 392.288 2.776 20 0 GFADRP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2=O)ccc1Br ZINC000647795341 565676956 /nfs/dbraw/zinc/67/69/56/565676956.db2.gz NZKBVMJBFGXMBC-ADAWSYLGSA-N 2 0 392.341 2.841 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000647798260 565677139 /nfs/dbraw/zinc/67/71/39/565677139.db2.gz OPDLBOUOIHIYBY-VVLHAWIVSA-N 2 0 397.357 2.586 20 0 GFADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000647797769 565677237 /nfs/dbraw/zinc/67/72/37/565677237.db2.gz BPRRSWYFPMXEHF-XWTMOSNGSA-N 2 0 381.358 2.886 20 0 GFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ncc(Br)cc3Cl)C2)CC1 ZINC000631070273 565938062 /nfs/dbraw/zinc/93/80/62/565938062.db2.gz RZYDYHZPMUFOKJ-ZDUSSCGKSA-N 2 0 387.753 2.756 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000607236942 565981344 /nfs/dbraw/zinc/98/13/44/565981344.db2.gz JLGSSHLUCLFLJM-UHFFFAOYSA-N 2 0 383.949 2.585 20 0 GFADRP CC1CC[NH+]([C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c2cccs2)CC1 ZINC000655912771 566095622 /nfs/dbraw/zinc/09/56/22/566095622.db2.gz PCIBDYFRWOHOPA-OCCSQVGLSA-N 2 0 378.464 2.710 20 0 GFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736859257 598511537 /nfs/dbraw/zinc/51/15/37/598511537.db2.gz YBKCSNCZGUUFRU-LJQANCHMSA-N 2 0 392.507 2.877 20 0 GFADRP C[NH+]1CCC(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000736848823 598562247 /nfs/dbraw/zinc/56/22/47/598562247.db2.gz NREIWYYCIDJMKW-UHFFFAOYSA-N 2 0 392.507 2.877 20 0 GFADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736530219 599484493 /nfs/dbraw/zinc/48/44/93/599484493.db2.gz GMBKBCSGONNWDO-UHFFFAOYSA-N 2 0 390.495 2.646 20 0 GFADRP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690881 606848166 /nfs/dbraw/zinc/84/81/66/606848166.db2.gz WZEGZDSJEFNKEU-NRFANRHFSA-N 2 0 392.507 2.676 20 0 GFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820705036 606914942 /nfs/dbraw/zinc/91/49/42/606914942.db2.gz RQHKVEQICCGNDB-UWJYYQICSA-N 2 0 398.555 2.877 20 0 GFADRP CC[N@H+](CCC1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)CC1CC1 ZINC000825419390 608211852 /nfs/dbraw/zinc/21/18/52/608211852.db2.gz OPISRNQGQKKVDR-NRFANRHFSA-N 2 0 398.555 2.734 20 0 GFADRP COc1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1-c1nn[nH]n1 ZINC000826202040 608286490 /nfs/dbraw/zinc/28/64/90/608286490.db2.gz MOFLTEJHSQJGMZ-HNNXBMFYSA-N 2 0 396.495 2.667 20 0 GFADRP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826201791 609444442 /nfs/dbraw/zinc/44/44/42/609444442.db2.gz DNLAMTNLWVDORQ-LPHOPBHVSA-N 2 0 392.507 2.876 20 0 GFADRP C[NH+](C)C1CCN(CC[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817579162 660201508 /nfs/dbraw/zinc/20/15/08/660201508.db2.gz VJHFMMLAWHSYRZ-HNNXBMFYSA-N 2 0 387.391 2.972 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000817906295 660211881 /nfs/dbraw/zinc/21/18/81/660211881.db2.gz WRUAMSSRWNDIEA-SWLSCSKDSA-N 2 0 389.323 2.938 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000817906210 660211900 /nfs/dbraw/zinc/21/19/00/660211900.db2.gz YLPQBMLMYYEPPQ-WBMJQRKESA-N 2 0 389.323 2.938 20 0 GFADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)ccn1 ZINC000819195881 660249612 /nfs/dbraw/zinc/24/96/12/660249612.db2.gz LZMZRXXDVMFSHY-QGZVFWFLSA-N 2 0 394.313 2.608 20 0 GFADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000056524369 654796458 /nfs/dbraw/zinc/79/64/58/654796458.db2.gz IAARKCNEANQXGB-KRWDZBQOSA-N 2 0 385.346 2.853 20 0 GFADRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000104167566 655079237 /nfs/dbraw/zinc/07/92/37/655079237.db2.gz ROQHAQGGLVNVAM-ZIAGYGMSSA-N 2 0 386.371 2.985 20 0 GFADRP C[NH+](C)CC1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000738076796 655685107 /nfs/dbraw/zinc/68/51/07/655685107.db2.gz NJRQIKUTNXWZII-UHFFFAOYSA-N 2 0 378.314 2.995 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(Br)o1 ZINC000750735583 655816729 /nfs/dbraw/zinc/81/67/29/655816729.db2.gz YXLYKOIWSDKMGE-WKTRQSJXSA-N 2 0 398.345 2.930 20 0 GFADRP OC1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000840885572 661198298 /nfs/dbraw/zinc/19/82/98/661198298.db2.gz ZLFMRYJSVHGIFV-CEXWTWQISA-N 2 0 378.607 2.983 20 0 GFADRP Cc1cc(Br)cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000840954507 661219468 /nfs/dbraw/zinc/21/94/68/661219468.db2.gz FWDJWQRCXHXTJT-UHFFFAOYSA-N 2 0 396.373 2.644 20 0 GFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842669725 661348102 /nfs/dbraw/zinc/34/81/02/661348102.db2.gz RNZGUGZJPOHSKG-UHFFFAOYSA-N 2 0 375.742 2.613 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842671356 661348433 /nfs/dbraw/zinc/34/84/33/661348433.db2.gz SXLUQXKLKCAWCB-UHFFFAOYSA-N 2 0 375.742 2.615 20 0 GFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(Br)cnc1Cl ZINC000842678285 661348652 /nfs/dbraw/zinc/34/86/52/661348652.db2.gz CIKYJHHVHKUWPX-AWEZNQCLSA-N 2 0 376.726 2.824 20 0 GFADRP O=C1[C@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CCN1c1cccc(Br)c1 ZINC000843364557 661378897 /nfs/dbraw/zinc/37/88/97/661378897.db2.gz HHWQAYIJRCWHFL-MRXNPFEDSA-N 2 0 378.314 2.630 20 0 GFADRP CSC1(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000865573731 662430211 /nfs/dbraw/zinc/43/02/11/662430211.db2.gz LQRYOEAJHGNNTQ-ZDUSSCGKSA-N 2 0 381.533 2.952 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3sccc3nc2Cl)C[C@H]1C[NH+](C)C ZINC000870017958 662671367 /nfs/dbraw/zinc/67/13/67/662671367.db2.gz UTHFKBQUSDWHPK-CHWSQXEVSA-N 2 0 380.945 2.761 20 0 GFADRP [NH3+][C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000870948028 662711060 /nfs/dbraw/zinc/71/10/60/662711060.db2.gz MLXAPPFVTYKFLV-UAGQMJEPSA-N 2 0 392.272 2.541 20 0 GFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc(Br)ncc1F ZINC000873246022 662804677 /nfs/dbraw/zinc/80/46/77/662804677.db2.gz RNTQUMADDPEWDN-LLVKDONJSA-N 2 0 380.265 2.961 20 0 GFADRP C[NH+](C)C[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)C[C@H]1C[NH+](C)C ZINC000877669272 662881366 /nfs/dbraw/zinc/88/13/66/662881366.db2.gz APOVOTPKHSXTGP-IAGOWNOFSA-N 2 0 396.373 2.555 20 0 GFADRP CC(C)C[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)CC1CC[NH+](C)CC1 ZINC000879703431 662937256 /nfs/dbraw/zinc/93/72/56/662937256.db2.gz MECGIYVQXQDANS-UHFFFAOYSA-N 2 0 387.615 2.798 20 0 GFADRP CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000895325938 663508290 /nfs/dbraw/zinc/50/82/90/663508290.db2.gz WFACBEMAWKYMIV-AWEZNQCLSA-N 2 0 399.377 2.769 20 0 GFADRP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@@H]1C[NH3+] ZINC000904410965 663833349 /nfs/dbraw/zinc/83/33/49/663833349.db2.gz RXWDDUAXUDHJNX-HUUCEWRRSA-N 2 0 382.346 2.702 20 0 GFADRP [NH3+][C@H](CC(=O)N1CCC([NH2+]CC2CC2)CC1)Cc1ccc(Br)cc1 ZINC000911842873 664258414 /nfs/dbraw/zinc/25/84/14/664258414.db2.gz YOWDHYPEKXZLAW-KRWDZBQOSA-N 2 0 394.357 2.700 20 0 GFADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncc(Br)c3)C2)[C@H]1C(C)C ZINC000922395155 664599302 /nfs/dbraw/zinc/59/93/02/664599302.db2.gz UJHGHYZWIVMYOW-BRSBDYLESA-N 2 0 382.346 2.804 20 0 GFADRP [NH3+]CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923282095 664627346 /nfs/dbraw/zinc/62/73/46/664627346.db2.gz QBTGBWOXKAWRRF-CYBMUJFWSA-N 2 0 377.710 2.513 20 0 GFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923332099 664628431 /nfs/dbraw/zinc/62/84/31/664628431.db2.gz OXOXYMFZLBNZFT-DMDPSCGWSA-N 2 0 377.710 2.511 20 0 GFADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923355228 664628894 /nfs/dbraw/zinc/62/88/94/664628894.db2.gz HZHAAJYEXVYYPN-IUODEOHRSA-N 2 0 377.710 2.513 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500489 664631329 /nfs/dbraw/zinc/63/13/29/664631329.db2.gz RLOPHSRDTSOWAY-FMKPAKJESA-N 2 0 382.346 2.713 20 0 GFADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)c(Br)c1 ZINC000925850820 664675966 /nfs/dbraw/zinc/67/59/66/664675966.db2.gz BRMVYWLFELXJIJ-AAEUAGOBSA-N 2 0 385.277 2.924 20 0 GFADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(Br)n1)C2 ZINC000926878687 664698485 /nfs/dbraw/zinc/69/84/85/664698485.db2.gz HQLWWEOUARCSOY-UUWMRLDISA-N 2 0 382.346 2.974 20 0 GFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(n3cc(Br)cn3)CC2)[C@@H](C)C1 ZINC000927008114 664702210 /nfs/dbraw/zinc/70/22/10/664702210.db2.gz NBRORGKMAFRTLW-DOTOQJQBSA-N 2 0 399.377 2.861 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4c5ccccc5NC(=O)[C@@H]4C3)c2)CC1 ZINC001164404016 718859204 /nfs/dbraw/zinc/85/92/04/718859204.db2.gz OCTUFZSWZXTBRS-RTBURBONSA-N 2 0 378.476 2.727 20 0 GFADRP Cc1noc([C@@H]2C[C@H]3CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@H]3O2)n1 ZINC001164656757 719301239 /nfs/dbraw/zinc/30/12/39/719301239.db2.gz YPWDGYVUFDUHSK-AYOQOUSVSA-N 2 0 399.495 2.603 20 0 GFADRP C[N@H+](Cc1ccc(N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1)C1CC1 ZINC001164692512 719760113 /nfs/dbraw/zinc/76/01/13/719760113.db2.gz UPUANANYQZCMOS-GCJKJVERSA-N 2 0 397.498 2.869 20 0 GFADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4c2CC[NH2+]CC4)CC3)cs1 ZINC001164690874 719803551 /nfs/dbraw/zinc/80/35/51/719803551.db2.gz BKFDPCFNVADCOP-UHFFFAOYSA-N 2 0 398.580 2.565 20 0 GFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCCC3)[nH+]c(C)n1)C2 ZINC001164805923 720077726 /nfs/dbraw/zinc/07/77/26/720077726.db2.gz AVEMAAPEVADFHS-SIKLNZKXSA-N 2 0 385.556 2.570 20 0 GFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164816078 720165588 /nfs/dbraw/zinc/16/55/88/720165588.db2.gz KGLNPPAWRYYBCW-GMAHTHKFSA-N 2 0 384.568 2.862 20 0 GFADRP Cc1[nH+]c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc2[nH]ccc21 ZINC001164824721 720333508 /nfs/dbraw/zinc/33/35/08/720333508.db2.gz CVLZYMGZQAWSCN-PMACEKPBSA-N 2 0 381.524 2.783 20 0 GFADRP c1cncc(CO[C@H]2C[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[N@@H+]3C2)c1 ZINC001164879867 721184276 /nfs/dbraw/zinc/18/42/76/721184276.db2.gz UWFIIYRFECTUEM-VXKWHMMOSA-N 2 0 393.535 2.552 20 0 GFADRP Cn1ccc2c1cc[nH+]c2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982360 722107451 /nfs/dbraw/zinc/10/74/51/722107451.db2.gz NZCNGVGWOZPRFT-GHTZIAJQSA-N 2 0 377.492 2.696 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000156402586 551522509 /nfs/dbraw/zinc/52/25/09/551522509.db2.gz RHEHLBNFDWTYJO-KEYYUXOJSA-N 2 0 382.346 2.887 20 0 GFADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000168960387 551634555 /nfs/dbraw/zinc/63/45/55/551634555.db2.gz ONLNUECZDATGDP-SFHVURJKSA-N 2 0 386.367 2.960 20 0 GFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188699532 552452801 /nfs/dbraw/zinc/45/28/01/552452801.db2.gz IGYZBDJYCNAMHL-OAHLLOKOSA-N 2 0 382.346 2.717 20 0 GFADRP C[C@@H](O)CC[NH+](C)Cc1cc(Br)ccc1C[N@@H+](C)CC[C@H](C)O ZINC000192073672 552548809 /nfs/dbraw/zinc/54/88/09/552548809.db2.gz AUJKOYUYRVSDBO-LSDHHAIUSA-N 2 0 387.362 2.855 20 0 GFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000247311061 553120770 /nfs/dbraw/zinc/12/07/70/553120770.db2.gz QYCUQKVFTLFISL-ZBFHGGJFSA-N 2 0 395.345 2.979 20 0 GFADRP Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000261684263 553155696 /nfs/dbraw/zinc/15/56/96/553155696.db2.gz NABIKDPJOLWUFG-QAPCUYQASA-N 2 0 394.357 2.838 20 0 GFADRP CC[NH2+]CC1CC[NH+](CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000261781929 553159268 /nfs/dbraw/zinc/15/92/68/553159268.db2.gz RZAXRRMCELARBE-UHFFFAOYSA-N 2 0 382.346 2.729 20 0 GFADRP CC[NH+](Cc1cc(Br)ccc1C[N@H+](CC)C[C@H](C)O)C[C@H](C)O ZINC000510096547 564325448 /nfs/dbraw/zinc/32/54/48/564325448.db2.gz BXWIZANMCXBXPK-GJZGRUSLSA-N 2 0 387.362 2.855 20 0 GFADRP O=C(NCC1C[NH2+]C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418494577 563218707 /nfs/dbraw/zinc/21/87/07/563218707.db2.gz YGNSNKPTEXLMDR-UHFFFAOYSA-N 2 0 385.339 2.820 20 0 GFADRP CC[C@@H]([NH3+])CNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000418715191 563222985 /nfs/dbraw/zinc/22/29/85/563222985.db2.gz QZYWRGPPKLVUJQ-OAHLLOKOSA-N 2 0 397.361 2.792 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000295853602 563265327 /nfs/dbraw/zinc/26/53/27/563265327.db2.gz GEPDFUDPJJFFKW-LJQANCHMSA-N 2 0 380.374 2.997 20 0 GFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422991888 563352287 /nfs/dbraw/zinc/35/22/87/563352287.db2.gz QIHASEZGGOKKOR-YOEHRIQHSA-N 2 0 382.346 2.763 20 0 GFADRP Brc1cccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423089829 563354592 /nfs/dbraw/zinc/35/45/92/563354592.db2.gz TUKMAGDYFYRIEA-JCHJZTRSSA-N 2 0 394.357 2.775 20 0 GFADRP COCCC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423178077 563358650 /nfs/dbraw/zinc/35/86/50/563358650.db2.gz JWFNVLFYGKENQS-GOSISDBHSA-N 2 0 384.362 2.802 20 0 GFADRP COCC1(C[NH2+][C@H](C)c2ccccc2I)CC[NH2+]CC1 ZINC000423406323 563360262 /nfs/dbraw/zinc/36/02/62/563360262.db2.gz KMYBNIAXANDYEL-CYBMUJFWSA-N 2 0 388.293 2.958 20 0 GFADRP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423496386 563361502 /nfs/dbraw/zinc/36/15/02/563361502.db2.gz WTEZBKUIYMIFKI-CZUORRHYSA-N 2 0 388.293 2.580 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424373987 563377478 /nfs/dbraw/zinc/37/74/78/563377478.db2.gz ILJBQGWKXKCNCJ-ZDUSSCGKSA-N 2 0 382.673 2.788 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[N@H+](C[C@@H](C)O)C[C@H]3C)c2cc1Br ZINC000425230558 563413604 /nfs/dbraw/zinc/41/36/04/563413604.db2.gz CIWOORVGYCLJHH-CHWSQXEVSA-N 2 0 394.313 2.897 20 0 GFADRP [NH3+]CCCOC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000430548294 563545238 /nfs/dbraw/zinc/54/52/38/563545238.db2.gz BURLEBQAZDTNIS-UHFFFAOYSA-N 2 0 384.318 2.608 20 0 GFADRP C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000439444012 563725869 /nfs/dbraw/zinc/72/58/69/563725869.db2.gz BGSHVEAVEUXADS-CZUORRHYSA-N 2 0 389.309 2.602 20 0 GFADRP C[C@H](CC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[NH+]1CCCCC1 ZINC000363867513 563735492 /nfs/dbraw/zinc/73/54/92/563735492.db2.gz YUTLYTRDISRXTA-MRXNPFEDSA-N 2 0 385.599 2.755 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000414713187 563751071 /nfs/dbraw/zinc/75/10/71/563751071.db2.gz TWYIGZZXWWEZNY-CQSZACIVSA-N 2 0 380.330 2.615 20 0 GFADRP FC(F)(F)[C@H](C[NH2+]Cc1cnc(-c2ccsc2)s1)N1CC[NH2+]CC1 ZINC000414993853 563756087 /nfs/dbraw/zinc/75/60/87/563756087.db2.gz UODJGOIFJUZWOF-ZDUSSCGKSA-N 2 0 376.473 2.797 20 0 GFADRP COc1cc(C[NH2+][C@@H](C)CCCC[NH3+])cc(I)c1OC ZINC000415017556 563756998 /nfs/dbraw/zinc/75/69/98/563756998.db2.gz SJZXYJWRSPPDQM-NSHDSACASA-N 2 0 392.281 2.916 20 0 GFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cccc(I)c3)C2)CC1 ZINC000367400059 563842811 /nfs/dbraw/zinc/84/28/11/563842811.db2.gz SFJZTXLNGXBUHS-INIZCTEOSA-N 2 0 399.320 2.549 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(Br)c1 ZINC000505772758 564190127 /nfs/dbraw/zinc/19/01/27/564190127.db2.gz MRJQNJQJBGGEMU-SFHVURJKSA-N 2 0 396.373 2.866 20 0 GFADRP Cc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc(F)c1Br ZINC000563570900 564197215 /nfs/dbraw/zinc/19/72/15/564197215.db2.gz ZLPUTVQJMJMMGX-UHFFFAOYSA-N 2 0 389.313 2.854 20 0 GFADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000564798512 564249905 /nfs/dbraw/zinc/24/99/05/564249905.db2.gz YXKIWUKBXVCEGE-KBPBESRZSA-N 2 0 385.350 2.648 20 0 GFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000541783600 564288726 /nfs/dbraw/zinc/28/87/26/564288726.db2.gz IJKFSRSOCTXORO-UHFFFAOYSA-N 2 0 387.318 2.668 20 0 GFADRP O=C(CC[NH2+]CCCC[N@H+]1CCC[C@H]1CO)Nc1ccc(Br)cc1 ZINC000567876743 564393532 /nfs/dbraw/zinc/39/35/32/564393532.db2.gz YCWROUKTXWTVGP-KRWDZBQOSA-N 2 0 398.345 2.604 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000453346457 564454087 /nfs/dbraw/zinc/45/40/87/564454087.db2.gz FKSCMFKNOSVHBN-JTOWHCCKSA-N 2 0 399.373 2.927 20 0 GFADRP Brc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000480387072 564471012 /nfs/dbraw/zinc/47/10/12/564471012.db2.gz UCDLSHRZUXPTAV-UHFFFAOYSA-N 2 0 379.302 2.739 20 0 GFADRP CC[NH2+]CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000570147037 564493473 /nfs/dbraw/zinc/49/34/73/564493473.db2.gz DXTXBWOVNLLHIU-UHFFFAOYSA-N 2 0 385.350 2.522 20 0 GFADRP Cc1sc(Br)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000573460051 564639149 /nfs/dbraw/zinc/63/91/49/564639149.db2.gz GBTLTAAQTAIKRG-UHFFFAOYSA-N 2 0 376.364 2.693 20 0 GFADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cncc(Br)c1 ZINC000577231405 564730935 /nfs/dbraw/zinc/73/09/35/564730935.db2.gz JZRYSIUKTBPCHR-AWEZNQCLSA-N 2 0 390.329 2.842 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C)ccc1Cl ZINC000497534411 564870288 /nfs/dbraw/zinc/87/02/88/564870288.db2.gz QHNUAHYRZLSORQ-MRXNPFEDSA-N 2 0 387.977 2.685 20 0 GFADRP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Br)s1 ZINC000530641867 564889954 /nfs/dbraw/zinc/88/99/54/564889954.db2.gz WOIAWCCZDFSLNR-LBPRGKRZSA-N 2 0 376.364 2.566 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1F ZINC000560029998 564945700 /nfs/dbraw/zinc/94/57/00/564945700.db2.gz ZXZGTFHRMBBOQO-HNNXBMFYSA-N 2 0 391.940 2.516 20 0 GFADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000643497868 565434450 /nfs/dbraw/zinc/43/44/50/565434450.db2.gz STPXJAWSUKIQTE-GFCCVEGCSA-N 2 0 378.318 2.988 20 0 GFADRP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290608 565496450 /nfs/dbraw/zinc/49/64/50/565496450.db2.gz DWLOGVZAKCBIPO-AWEZNQCLSA-N 2 0 379.302 2.904 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000670133250 565716186 /nfs/dbraw/zinc/71/61/86/565716186.db2.gz CHOUTHXTQVJRID-SJLPKXTDSA-N 2 0 384.977 2.679 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(Cl)c(Cl)c1 ZINC000627099434 565721572 /nfs/dbraw/zinc/72/15/72/565721572.db2.gz QHZUFDNDKBCNFR-QWHCGFSZSA-N 2 0 383.270 2.878 20 0 GFADRP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000629532210 565857835 /nfs/dbraw/zinc/85/78/35/565857835.db2.gz RGSXRVRURKBZLX-INIZCTEOSA-N 2 0 378.314 2.778 20 0 GFADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(F)cc1Br ZINC000631067666 565938766 /nfs/dbraw/zinc/93/87/66/565938766.db2.gz DVZLPOFHTAGYPD-AWEZNQCLSA-N 2 0 389.309 2.923 20 0 GFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000736531925 599482506 /nfs/dbraw/zinc/48/25/06/599482506.db2.gz MSIHUTNFTJVQTI-UHFFFAOYSA-N 2 0 390.495 2.646 20 0 GFADRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)c3ccc(Br)cc3)CC2)CC1 ZINC000818986774 660241707 /nfs/dbraw/zinc/24/17/07/660241707.db2.gz AMGZTZKDOZYARG-IBGZPJMESA-N 2 0 396.373 2.631 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000123972745 654767609 /nfs/dbraw/zinc/76/76/09/654767609.db2.gz RQWKKPCXLBKPNR-KRWDZBQOSA-N 2 0 382.346 2.890 20 0 GFADRP C[C@H](C[NH2+]CC1=Cc2cc(Br)ccc2OC1)CN1CC[NH+](C)CC1 ZINC000105439352 655093367 /nfs/dbraw/zinc/09/33/67/655093367.db2.gz VVJPPWGZFKKMCM-OAHLLOKOSA-N 2 0 394.357 2.698 20 0 GFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000274732276 655199047 /nfs/dbraw/zinc/19/90/47/655199047.db2.gz BGFRPNRSJGAZCV-HNNXBMFYSA-N 2 0 376.950 2.580 20 0 GFADRP C[N@@H+]1CCC[C@@H]2CN(Cn3nc(Br)c(=O)c4ccccc43)CC[C@H]21 ZINC000245749325 655428478 /nfs/dbraw/zinc/42/84/78/655428478.db2.gz XEJLJECEGUYMRL-UKRRQHHQSA-N 2 0 391.313 2.533 20 0 GFADRP C[NH+]1CCC(CNC(=S)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000760485559 655982356 /nfs/dbraw/zinc/98/23/56/655982356.db2.gz INLVDNPGDLBYNQ-WMZOPIPTSA-N 2 0 380.627 2.937 20 0 GFADRP NC1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000841104399 661232964 /nfs/dbraw/zinc/23/29/64/661232964.db2.gz QEMMSMKCXMRFSQ-QRVBRYPASA-N 2 0 377.623 2.949 20 0 GFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)cn2)CC1 ZINC000775376469 656633557 /nfs/dbraw/zinc/63/35/57/656633557.db2.gz AGGMLRSRAPEJRQ-AOIWGVFYSA-N 2 0 378.611 2.693 20 0 GFADRP Cn1nc(Br)cc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000785467800 657366456 /nfs/dbraw/zinc/36/64/56/657366456.db2.gz VEZZBUCVJSCADS-UHFFFAOYSA-N 2 0 393.329 2.947 20 0 GFADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000848599027 661667271 /nfs/dbraw/zinc/66/72/71/661667271.db2.gz ATZHRRYYVIOTOU-GFCCVEGCSA-N 2 0 381.307 2.829 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000849088013 661691424 /nfs/dbraw/zinc/69/14/24/661691424.db2.gz NGGFZPOZNVOQDB-HIFRSBDPSA-N 2 0 383.334 2.815 20 0 GFADRP [NH3+][C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(Br)c1 ZINC000870899956 662707411 /nfs/dbraw/zinc/70/74/11/662707411.db2.gz HQXCLBZNROYXJB-KRWDZBQOSA-N 2 0 380.330 2.972 20 0 GFADRP O=S1(=O)CC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc(Br)ccc21 ZINC000873261926 662804624 /nfs/dbraw/zinc/80/46/24/662804624.db2.gz TZBHBZNAAKKOSD-AEIGPULVSA-N 2 0 399.354 2.788 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cccc(Cl)c2Cl)C[C@H]1C[NH+](C)C ZINC000875178235 662842989 /nfs/dbraw/zinc/84/29/89/662842989.db2.gz LVNXYCRZQHYHSY-HUUCEWRRSA-N 2 0 387.355 2.874 20 0 GFADRP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000878127170 662890298 /nfs/dbraw/zinc/89/02/98/662890298.db2.gz ATURUOMWZOFEOA-UHFFFAOYSA-N 2 0 394.357 2.623 20 0 GFADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cccc(SC(F)(F)F)c1 ZINC000886930010 663125153 /nfs/dbraw/zinc/12/51/53/663125153.db2.gz NGIIHEBAYKDPGO-ZFWWWQNUSA-N 2 0 377.476 2.557 20 0 GFADRP C[C@]1(Br)C[C@H]1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000893354363 663408018 /nfs/dbraw/zinc/40/80/18/663408018.db2.gz JUOUHVWDKYZLFP-HKUYNNGSSA-N 2 0 394.357 2.775 20 0 GFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cn(C)nc1I ZINC000894384720 663459279 /nfs/dbraw/zinc/45/92/79/663459279.db2.gz PMKOPFLKPYSIMS-GFCCVEGCSA-N 2 0 378.302 2.625 20 0 GFADRP Brc1ccc(OCCCC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000903751070 663805977 /nfs/dbraw/zinc/80/59/77/663805977.db2.gz DMFDDQKERFEALW-QGZVFWFLSA-N 2 0 382.346 2.588 20 0 GFADRP COc1cc(C[NH2+]CCC(C)(C)[NH3+])cc(I)c1OC ZINC000903939218 663812757 /nfs/dbraw/zinc/81/27/57/663812757.db2.gz WGDGKLDRKNKXJF-UHFFFAOYSA-N 2 0 378.254 2.525 20 0 GFADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923284518 664627486 /nfs/dbraw/zinc/62/74/86/664627486.db2.gz OMRFVMCJLYJVNU-SMDDNHRTSA-N 2 0 391.737 2.901 20 0 GFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923368441 664628988 /nfs/dbraw/zinc/62/89/88/664628988.db2.gz CNDFPUAUGUUDGV-WFASDCNBSA-N 2 0 391.737 2.820 20 0 GFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923384430 664629323 /nfs/dbraw/zinc/62/93/23/664629323.db2.gz XKZPEBFQWNHNEY-IACUBPJLSA-N 2 0 377.710 2.702 20 0 GFADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923479465 664631121 /nfs/dbraw/zinc/63/11/21/664631121.db2.gz PKDJMUZCXVZFBI-YPMHNXCESA-N 2 0 377.710 2.513 20 0 GFADRP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(N5CC[NH2+]CC5)cn4)[C@@H]3C2)cc1 ZINC001164631474 719090263 /nfs/dbraw/zinc/09/02/63/719090263.db2.gz YHXGRDLRMSEOGD-IFMALSPDSA-N 2 0 377.536 2.592 20 0 GFADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cccc(N3CCOCC3)[nH+]1)[C@H]2C ZINC001164858094 720985426 /nfs/dbraw/zinc/98/54/26/720985426.db2.gz GWMLCMPCKOGJCT-KRWDZBQOSA-N 2 0 384.528 2.536 20 0 GFADRP C[N@H+](Cc1ccc(N2CC[NH+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164873530 721159326 /nfs/dbraw/zinc/15/93/26/721159326.db2.gz INHIJPPKBYLYEU-FGZHOGPDSA-N 2 0 393.535 2.551 20 0 GFADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N)c(C)c[nH+]3)C2)C1 ZINC001164787755 721364385 /nfs/dbraw/zinc/36/43/85/721364385.db2.gz ZUWYPCUUNLLJOP-OAQYLSRUSA-N 2 0 385.512 2.696 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)[nH+]1 ZINC001164889516 721417388 /nfs/dbraw/zinc/41/73/88/721417388.db2.gz RIFPLFJKBSJFFH-XMSQKQJNSA-N 2 0 383.540 2.637 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982054 722124047 /nfs/dbraw/zinc/12/40/47/722124047.db2.gz VUMFNNHCPNPIFD-FPOVZHCZSA-N 2 0 382.508 2.991 20 0 GFADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164985504 722130362 /nfs/dbraw/zinc/13/03/62/722130362.db2.gz ZRJXBKIRFQOACY-IFMALSPDSA-N 2 0 393.535 2.804 20 0 GFADRP O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047970422 551155184 /nfs/dbraw/zinc/15/51/84/551155184.db2.gz JMSUKXJODCFKJD-GOSISDBHSA-N 2 0 397.357 2.997 20 0 GFADRP Cc1cc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(Cl)cc1F ZINC000153731955 551459742 /nfs/dbraw/zinc/45/97/42/551459742.db2.gz VZNCYNHFOKYNFU-UHFFFAOYSA-N 2 0 393.956 2.682 20 0 GFADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000177951853 552161159 /nfs/dbraw/zinc/16/11/59/552161159.db2.gz YRVHHFVROPOEJB-CQSZACIVSA-N 2 0 382.346 2.900 20 0 GFADRP COc1c(Br)cccc1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000187115722 552407350 /nfs/dbraw/zinc/40/73/50/552407350.db2.gz YGQJFNONKJZRCV-QGZVFWFLSA-N 2 0 384.362 2.819 20 0 GFADRP CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000191484880 552529774 /nfs/dbraw/zinc/52/97/74/552529774.db2.gz FUMYEADDEYQLIN-UHFFFAOYSA-N 2 0 394.317 2.954 20 0 GFADRP CC(C)([NH3+])CC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000236839072 553072038 /nfs/dbraw/zinc/07/20/38/553072038.db2.gz BDSBXQGTMMXJNN-UHFFFAOYSA-N 2 0 398.345 2.536 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000246944430 553116010 /nfs/dbraw/zinc/11/60/10/553116010.db2.gz HVUIGYVOSBEYTL-YOEHRIQHSA-N 2 0 382.346 2.889 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cn2cc(Br)cn2)[C@@H](C)C1 ZINC000248157925 553127763 /nfs/dbraw/zinc/12/77/63/553127763.db2.gz RRAOKPACQXSWIC-ZOBUZTSGSA-N 2 0 387.366 2.761 20 0 GFADRP Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000261684255 553155901 /nfs/dbraw/zinc/15/59/01/553155901.db2.gz NABIKDPJOLWUFG-CRAIPNDOSA-N 2 0 394.357 2.838 20 0 GFADRP C[N@H+](CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)Cc1ccccc1 ZINC000261664052 553156109 /nfs/dbraw/zinc/15/61/09/553156109.db2.gz FLNUCVYCGITHAP-IBGZPJMESA-N 2 0 390.325 2.871 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000261757122 553157774 /nfs/dbraw/zinc/15/77/74/553157774.db2.gz NDJYPMOGINOCBZ-AEFFLSMTSA-N 2 0 380.330 2.710 20 0 GFADRP C[NH2+]CC1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000261961135 553163192 /nfs/dbraw/zinc/16/31/92/553163192.db2.gz PHFUWEYRKCOZDG-UHFFFAOYSA-N 2 0 382.346 2.717 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sccc1Br ZINC000505816753 564190479 /nfs/dbraw/zinc/19/04/79/564190479.db2.gz AOQZBXFCPLLRAG-ZDUSSCGKSA-N 2 0 388.375 2.999 20 0 GFADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000570125391 564492466 /nfs/dbraw/zinc/49/24/66/564492466.db2.gz KUTLBLBMQOYGKA-AWEZNQCLSA-N 2 0 385.350 2.645 20 0 GFADRP C[C@@H](C[NH3+])CNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000418480009 563217984 /nfs/dbraw/zinc/21/79/84/563217984.db2.gz BYXQPXNWJAMQNE-AWEZNQCLSA-N 2 0 397.361 2.650 20 0 GFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000422948174 563351624 /nfs/dbraw/zinc/35/16/24/563351624.db2.gz ZYMBFDUWWUNEQE-SWLSCSKDSA-N 2 0 394.313 2.702 20 0 GFADRP CCOc1cc(C[NH2+]CCCC[NH+]2CCOCC2)cc(Br)c1O ZINC000298561874 563359849 /nfs/dbraw/zinc/35/98/49/563359849.db2.gz JWSGTHSVGBHYPM-UHFFFAOYSA-N 2 0 387.318 2.755 20 0 GFADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCc2cc(Br)ccc21)N1CC[NH2+]CC1 ZINC000423384219 563360521 /nfs/dbraw/zinc/36/05/21/563360521.db2.gz KATRZPRCDLJNDF-CABCVRRESA-N 2 0 392.263 2.862 20 0 GFADRP COc1cc2[nH+]ccc(N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)c2cc1Br ZINC000425265444 563415785 /nfs/dbraw/zinc/41/57/85/563415785.db2.gz DPYOYGNRVBVIMZ-STQMWFEESA-N 2 0 394.313 2.897 20 0 GFADRP COc1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000323826899 563451384 /nfs/dbraw/zinc/45/13/84/563451384.db2.gz PQJYJIZGJRPUFL-GOSISDBHSA-N 2 0 384.362 2.819 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCc3c(Br)cccc3C2)CC1 ZINC000433141178 563604172 /nfs/dbraw/zinc/60/41/72/563604172.db2.gz MQAAEYQAIOAHQD-UHFFFAOYSA-N 2 0 380.330 2.537 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000433127879 563604244 /nfs/dbraw/zinc/60/42/44/563604244.db2.gz JPYKJVLEMOBLNX-UHFFFAOYSA-N 2 0 380.330 2.537 20 0 GFADRP Cc1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c(Br)c1 ZINC000414482467 563744484 /nfs/dbraw/zinc/74/44/84/563744484.db2.gz LQEACYLYEPNOHL-UHFFFAOYSA-N 2 0 396.373 2.644 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2csc(Br)c2)C2CC2)C1 ZINC000414711315 563751078 /nfs/dbraw/zinc/75/10/78/563751078.db2.gz SGMVUWVWJUMLMT-LBPRGKRZSA-N 2 0 386.359 2.672 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000414753380 563751751 /nfs/dbraw/zinc/75/17/51/563751751.db2.gz DMFBZGPDYLUHLW-QWHCGFSZSA-N 2 0 386.359 2.845 20 0 GFADRP FC(F)(F)c1cc(Br)ccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414779360 563752552 /nfs/dbraw/zinc/75/25/52/563752552.db2.gz JKUNKRHNAHAYFU-UHFFFAOYSA-N 2 0 380.252 2.853 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000414940806 563755013 /nfs/dbraw/zinc/75/50/13/563755013.db2.gz KLYPZAPAFHADOH-KSSFIOAISA-N 2 0 394.357 2.950 20 0 GFADRP FC(F)Oc1ccc(Cl)cc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414962672 563755155 /nfs/dbraw/zinc/75/51/55/563755155.db2.gz AGOSMKZEHGLRGD-CYBMUJFWSA-N 2 0 387.780 2.867 20 0 GFADRP COC[C@]1(CNC2CC[NH+](Cc3ccccc3Br)CC2)CCC[NH2+]1 ZINC000414944399 563755470 /nfs/dbraw/zinc/75/54/70/563755470.db2.gz NZSIPGCYJFGBIM-LJQANCHMSA-N 2 0 396.373 2.772 20 0 GFADRP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000449134140 563906880 /nfs/dbraw/zinc/90/68/80/563906880.db2.gz HDJUKBHCQGDBRH-KGLIPLIRSA-N 2 0 388.339 2.938 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(OC)cc2Br)CC1 ZINC000449747932 564199852 /nfs/dbraw/zinc/19/98/52/564199852.db2.gz YZCZQVUZJUWWNU-UHFFFAOYSA-N 2 0 384.362 2.963 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cscc1Br ZINC000509072833 564280865 /nfs/dbraw/zinc/28/08/65/564280865.db2.gz WNZGEUUGYLIYGC-ZDUSSCGKSA-N 2 0 388.375 2.999 20 0 GFADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000567638508 564381323 /nfs/dbraw/zinc/38/13/23/564381323.db2.gz MBVJTILLEKJXMT-TZMCWYRMSA-N 2 0 378.318 2.988 20 0 GFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000567639968 564381688 /nfs/dbraw/zinc/38/16/88/564381688.db2.gz QVPLKVISXTZQOZ-BRWVUGGUSA-N 2 0 385.599 2.659 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000453375060 564455812 /nfs/dbraw/zinc/45/58/12/564455812.db2.gz OVLRKAWOPWJRJP-JKIFEVAISA-N 2 0 385.346 2.539 20 0 GFADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000570564970 564511702 /nfs/dbraw/zinc/51/17/02/564511702.db2.gz RVUBBZXQSKELMT-OAHLLOKOSA-N 2 0 386.367 2.613 20 0 GFADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000571681747 564562030 /nfs/dbraw/zinc/56/20/30/564562030.db2.gz DDRJEKGUGZZOJI-BHYGNILZSA-N 2 0 394.357 2.948 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1sccc1Br ZINC000572028223 564578268 /nfs/dbraw/zinc/57/82/68/564578268.db2.gz NOSQTMZASCNRTD-YVLXSGLVSA-N 2 0 386.359 2.808 20 0 GFADRP Cc1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)ccc1Br ZINC000552279450 564684414 /nfs/dbraw/zinc/68/44/14/564684414.db2.gz KBQUIFAHHSKTJA-UHFFFAOYSA-N 2 0 382.346 2.839 20 0 GFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000492995918 564805725 /nfs/dbraw/zinc/80/57/25/564805725.db2.gz UBFVMSYTFIRUFX-DEOSSOPVSA-N 2 0 392.396 2.670 20 0 GFADRP Brc1ccc(OCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530236984 564873075 /nfs/dbraw/zinc/87/30/75/564873075.db2.gz AUWNFGGHWMKAGV-SFHVURJKSA-N 2 0 383.330 2.918 20 0 GFADRP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000469264693 565011795 /nfs/dbraw/zinc/01/17/95/565011795.db2.gz QDKXGALHZZOTRK-AWEZNQCLSA-N 2 0 382.551 2.943 20 0 GFADRP CCC1([NH+](C)C)CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000638975001 565220038 /nfs/dbraw/zinc/22/00/38/565220038.db2.gz GEYNBMFOHVONDA-QGZVFWFLSA-N 2 0 382.346 2.956 20 0 GFADRP CCC1([NH+](C)C)CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000638975000 565220259 /nfs/dbraw/zinc/22/02/59/565220259.db2.gz GEYNBMFOHVONDA-KRWDZBQOSA-N 2 0 382.346 2.956 20 0 GFADRP C[N@@H+]1CC[C@@]2(C1)CCCN([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661776 565288171 /nfs/dbraw/zinc/28/81/71/565288171.db2.gz GHLKXGMWBDSPAM-PKOBYXMFSA-N 2 0 392.341 2.972 20 0 GFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000662692771 565382403 /nfs/dbraw/zinc/38/24/03/565382403.db2.gz GKYMWWMEXIFMPF-KBXCAEBGSA-N 2 0 382.346 2.860 20 0 GFADRP C[C@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642793060 565417372 /nfs/dbraw/zinc/41/73/72/565417372.db2.gz BXRPFJQVWFGWSN-ZFWWWQNUSA-N 2 0 385.961 2.730 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595018340 565443183 /nfs/dbraw/zinc/44/31/83/565443183.db2.gz NPWSQWJZVHMZAS-GUYCJALGSA-N 2 0 399.320 2.504 20 0 GFADRP C[NH+](C)Cc1ccnc(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000646156737 565589546 /nfs/dbraw/zinc/58/95/46/565589546.db2.gz TYBMSTHRGXYACU-KRWDZBQOSA-N 2 0 377.286 2.718 20 0 GFADRP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000626041128 565672465 /nfs/dbraw/zinc/67/24/65/565672465.db2.gz QYUSCUMHTGHXIF-WBVHZDCISA-N 2 0 394.357 2.791 20 0 GFADRP Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629581123 565860576 /nfs/dbraw/zinc/86/05/76/565860576.db2.gz NRJBEFJFVKFWMX-QGZVFWFLSA-N 2 0 380.330 2.716 20 0 GFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ncc(Br)cc1Cl ZINC000631067660 565936834 /nfs/dbraw/zinc/93/68/34/565936834.db2.gz DTAUHLAXGRRYQW-ZDUSSCGKSA-N 2 0 376.726 2.824 20 0 GFADRP Clc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1-c1nn[nH]n1 ZINC000737566557 598668490 /nfs/dbraw/zinc/66/84/90/598668490.db2.gz VAYQOIYXUZIZRG-UHFFFAOYSA-N 2 0 398.902 2.539 20 0 GFADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000821809959 599415204 /nfs/dbraw/zinc/41/52/04/599415204.db2.gz UORREBVIFAHCOI-UHFFFAOYSA-N 2 0 392.507 2.877 20 0 GFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000821189778 606211350 /nfs/dbraw/zinc/21/13/50/606211350.db2.gz SUISRFJJNXMHKG-UHFFFAOYSA-N 2 0 386.525 2.939 20 0 GFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826506962 608524079 /nfs/dbraw/zinc/52/40/79/608524079.db2.gz GFNHZDYFEWERDT-PCCBWWKXSA-N 2 0 396.539 2.602 20 0 GFADRP COc1cc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1S(=O)(=O)C(F)F ZINC000817981384 660212767 /nfs/dbraw/zinc/21/27/67/660212767.db2.gz RWOPICDNINUPHM-GXTWGEPZSA-N 2 0 376.469 2.874 20 0 GFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842667565 661348062 /nfs/dbraw/zinc/34/80/62/661348062.db2.gz AMLNDJGQYNDMGI-LBPRGKRZSA-N 2 0 375.742 2.613 20 0 GFADRP C[C@@H](C[NH2+]CC1=Cc2cc(Br)ccc2OC1)CN1CC[NH+](C)CC1 ZINC000105439348 655093322 /nfs/dbraw/zinc/09/33/22/655093322.db2.gz VVJPPWGZFKKMCM-HNNXBMFYSA-N 2 0 394.357 2.698 20 0 GFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Br)ncc1F ZINC000273917395 655164269 /nfs/dbraw/zinc/16/42/69/655164269.db2.gz YYLUEZVKBRAQTF-ZDUSSCGKSA-N 2 0 387.341 2.907 20 0 GFADRP Cc1nn(C)c(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c1Br ZINC000279171421 655327618 /nfs/dbraw/zinc/32/76/18/655327618.db2.gz QVKIVKIWKFLHJP-UHFFFAOYSA-N 2 0 395.345 2.764 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccnc1Br ZINC000120475444 655336799 /nfs/dbraw/zinc/33/67/99/655336799.db2.gz WCXBFUABWJOBEN-CQSZACIVSA-N 2 0 398.349 2.724 20 0 GFADRP CSc1ccsc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264443634 655463842 /nfs/dbraw/zinc/46/38/42/655463842.db2.gz NESQLDSQHHMPPS-UHFFFAOYSA-N 2 0 376.551 2.807 20 0 GFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ncc1F ZINC000762743363 656057425 /nfs/dbraw/zinc/05/74/25/656057425.db2.gz BANKDGAUIMQWNH-STQMWFEESA-N 2 0 385.325 2.802 20 0 GFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Br)ncc2F)CC1 ZINC000762746801 656057539 /nfs/dbraw/zinc/05/75/39/656057539.db2.gz JGRPCEZHCRMCDO-KGLIPLIRSA-N 2 0 387.341 2.907 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000765043595 656127343 /nfs/dbraw/zinc/12/73/43/656127343.db2.gz XWPSBXLBJWMAQN-QGZVFWFLSA-N 2 0 390.355 2.759 20 0 GFADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CC2(Br)CC2)CC1 ZINC000846834210 661567281 /nfs/dbraw/zinc/56/72/81/661567281.db2.gz YWDSAEUEFHMOKZ-UHFFFAOYSA-N 2 0 386.378 2.618 20 0 GFADRP NS(=O)(=O)c1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)ccc1Cl ZINC000865485348 662424648 /nfs/dbraw/zinc/42/46/48/662424648.db2.gz VACZXEXXZHDJMA-UHFFFAOYSA-N 2 0 385.961 2.874 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(Br)c1 ZINC000870917740 662708317 /nfs/dbraw/zinc/70/83/17/662708317.db2.gz ZAVFGMMLWGZKOP-KRWDZBQOSA-N 2 0 380.330 2.926 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000884190095 663066886 /nfs/dbraw/zinc/06/68/86/663066886.db2.gz VPSCMIBTELJGAI-QGZVFWFLSA-N 2 0 380.330 2.783 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000884224583 663067254 /nfs/dbraw/zinc/06/72/54/663067254.db2.gz SPFWEIJQCBJICK-IAGOWNOFSA-N 2 0 380.330 2.926 20 0 GFADRP [NH3+][C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000884342848 663069337 /nfs/dbraw/zinc/06/93/37/663069337.db2.gz LMPBNWNDPQEUMD-BBWFWOEESA-N 2 0 392.272 2.541 20 0 GFADRP C[NH+]1CCC(n2cc(NC(=O)[C@@H]([NH3+])c3ccc(Br)cc3)cn2)CC1 ZINC000884460952 663071043 /nfs/dbraw/zinc/07/10/43/663071043.db2.gz PPCCNFDTXWWTJS-INIZCTEOSA-N 2 0 392.301 2.551 20 0 GFADRP Cn1cc(C[NH2+]CCCCCCC[NH+](C)C)c(I)n1 ZINC000894208486 663448670 /nfs/dbraw/zinc/44/86/70/663448670.db2.gz INGQUEBFKPFTMI-UHFFFAOYSA-N 2 0 378.302 2.626 20 0 GFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000903442634 663784860 /nfs/dbraw/zinc/78/48/60/663784860.db2.gz VKIOUVNIWVCBOG-SWLSCSKDSA-N 2 0 381.318 2.622 20 0 GFADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)cnn1C ZINC000903936214 663812739 /nfs/dbraw/zinc/81/27/39/663812739.db2.gz ZGIYFZBQLGXCGE-MDVLYUJXSA-N 2 0 389.341 2.536 20 0 GFADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)C1 ZINC000911819391 664257249 /nfs/dbraw/zinc/25/72/49/664257249.db2.gz ALSLURFMRASFGQ-HUUCEWRRSA-N 2 0 394.357 2.656 20 0 GFADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccnc3Br)C2)[C@H]1C(C)C ZINC000922392088 664598736 /nfs/dbraw/zinc/59/87/36/664598736.db2.gz CSJZGSXGUKWEAA-YFHUEUNASA-N 2 0 382.346 2.804 20 0 GFADRP Brc1cccc(OC2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)c1 ZINC000923373539 664629196 /nfs/dbraw/zinc/62/91/96/664629196.db2.gz OMZYZJKHONHOQO-KRWDZBQOSA-N 2 0 381.314 2.671 20 0 GFADRP COc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(Br)c1OC ZINC000923449200 664630680 /nfs/dbraw/zinc/63/06/80/664630680.db2.gz LLILFPPQWFUKOM-CQSZACIVSA-N 2 0 399.329 2.796 20 0 GFADRP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923456953 664630927 /nfs/dbraw/zinc/63/09/27/664630927.db2.gz SNFZKZOKDYQDJR-CJNGLKHVSA-N 2 0 396.329 2.606 20 0 GFADRP Brc1cccc(-c2nc(CN3CC[NH2+]CC[NH2+]CC3)cs2)c1 ZINC000923464102 664631014 /nfs/dbraw/zinc/63/10/14/664631014.db2.gz ZLGGFSBACRICFA-UHFFFAOYSA-N 2 0 381.343 2.567 20 0 GFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924656593 664659175 /nfs/dbraw/zinc/65/91/75/664659175.db2.gz BKCKJCJVIQKWQE-QGZVFWFLSA-N 2 0 381.362 2.839 20 0 GFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000925217345 664668784 /nfs/dbraw/zinc/66/87/84/664668784.db2.gz YDDRJPYSOUFHTJ-QGZVFWFLSA-N 2 0 381.362 2.837 20 0 GFADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)cc1F ZINC000925851925 664676014 /nfs/dbraw/zinc/67/60/14/664676014.db2.gz TZRJDYZZMDJOHY-DGCLKSJQSA-N 2 0 385.277 2.924 20 0 GFADRP O=C1O[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC12CC[NH2+]CC2 ZINC000925854209 664676242 /nfs/dbraw/zinc/67/62/42/664676242.db2.gz LOOVRJBBJDCEJO-SJORKVTESA-N 2 0 393.325 2.581 20 0 GFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1(C)C ZINC000926358362 664688640 /nfs/dbraw/zinc/68/86/40/664688640.db2.gz XSAJCWVWIMFFKP-INIZCTEOSA-N 2 0 381.362 2.837 20 0 GFADRP CSC[C@@H]1CCC[NH+]([C@@H](C)CNC(=O)C[N@H+]2CCC[C@@H](CSC)C2)C1 ZINC000930561070 664773346 /nfs/dbraw/zinc/77/33/46/664773346.db2.gz TZPUVWDAPUUSJY-RCCFBDPRSA-N 2 0 387.659 2.641 20 0 GFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000579582434 677673434 /nfs/dbraw/zinc/67/34/34/677673434.db2.gz ASGQSGWKFJLXGZ-QGZVFWFLSA-N 2 0 385.346 2.900 20 0 GFADRP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000579767394 677673495 /nfs/dbraw/zinc/67/34/95/677673495.db2.gz FQLIULSIHCTDGI-OAHLLOKOSA-N 2 0 399.377 2.591 20 0 GFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000246857360 553114274 /nfs/dbraw/zinc/11/42/74/553114274.db2.gz BUBYLMDZIWHQBO-IBGZPJMESA-N 2 0 380.374 2.924 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)s1 ZINC000247021935 553117193 /nfs/dbraw/zinc/11/71/93/553117193.db2.gz MXQWZTGRNODPPO-BFYDXBDKSA-N 2 0 387.615 2.639 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Br)cc2)[C@H](C)C1 ZINC000247057827 553118058 /nfs/dbraw/zinc/11/80/58/553118058.db2.gz OTNXAPQRSAUNLS-KYJSFNMBSA-N 2 0 385.346 2.851 20 0 GFADRP CC(C)C[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000370671657 563251859 /nfs/dbraw/zinc/25/18/59/563251859.db2.gz VYBNKVNLDQSTHF-UHFFFAOYSA-N 2 0 385.599 2.611 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000423096229 563355159 /nfs/dbraw/zinc/35/51/59/563355159.db2.gz OEAZBLBHGUFHID-ZACQAIPSSA-N 2 0 399.320 2.725 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccsc2Br)CC[NH2+]CC1 ZINC000423116870 563356124 /nfs/dbraw/zinc/35/61/24/563356124.db2.gz RVFGYXBDEQDBMR-NSHDSACASA-N 2 0 375.332 2.922 20 0 GFADRP Brc1cnn(CCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423129327 563356745 /nfs/dbraw/zinc/35/67/45/563356745.db2.gz QZQSTEOIQBFKMK-FUHWJXTLSA-N 2 0 391.313 2.881 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423154267 563357177 /nfs/dbraw/zinc/35/71/77/563357177.db2.gz JEKLYEUOVXPAHX-JKIFEVAISA-N 2 0 385.346 2.586 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1Br ZINC000423154886 563357191 /nfs/dbraw/zinc/35/71/91/563357191.db2.gz KHIIKVSVDWOXDA-XIRDDKMYSA-N 2 0 385.346 2.858 20 0 GFADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCN1CC[NH2+]CC1 ZINC000423209810 563358416 /nfs/dbraw/zinc/35/84/16/563358416.db2.gz VULPHSALDOKSMU-KRWDZBQOSA-N 2 0 377.330 2.803 20 0 GFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423268271 563359417 /nfs/dbraw/zinc/35/94/17/563359417.db2.gz FTFGFLPNOBMHLB-MNOVXSKESA-N 2 0 380.341 2.681 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CCCOc2c(Cl)cccc21)N1CC[NH2+]CC1 ZINC000423394863 563360126 /nfs/dbraw/zinc/36/01/26/563360126.db2.gz SFNGIJHGGCKGKG-LSDHHAIUSA-N 2 0 377.838 2.979 20 0 GFADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Br ZINC000423383562 563360487 /nfs/dbraw/zinc/36/04/87/563360487.db2.gz JNFHVCSJBYOZNT-FZMZJTMJSA-N 2 0 380.252 2.936 20 0 GFADRP C[C@H](NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Br)cc1 ZINC000391804962 563525432 /nfs/dbraw/zinc/52/54/32/563525432.db2.gz VJERENNGDPLPMV-CWRNSKLLSA-N 2 0 380.330 2.558 20 0 GFADRP OCCN1CC[NH+](CCCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432243101 563577953 /nfs/dbraw/zinc/57/79/53/563577953.db2.gz RWLQONYGKJUVCY-UHFFFAOYSA-N 2 0 378.319 2.612 20 0 GFADRP COc1c(Br)cccc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289391838 563673730 /nfs/dbraw/zinc/67/37/30/563673730.db2.gz FAHMSCLPCDDTRH-UHFFFAOYSA-N 2 0 396.373 2.917 20 0 GFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414282556 563724424 /nfs/dbraw/zinc/72/44/24/563724424.db2.gz HQOQEQMQSGYJIH-GJZGRUSLSA-N 2 0 387.977 2.835 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000414681809 563750294 /nfs/dbraw/zinc/75/02/94/563750294.db2.gz WQYVMDJMDQOZFG-OAHLLOKOSA-N 2 0 380.330 2.611 20 0 GFADRP Cc1cc(Br)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000414978173 563756462 /nfs/dbraw/zinc/75/64/62/563756462.db2.gz SHVHFOMDCLDHNJ-GFCCVEGCSA-N 2 0 386.281 2.745 20 0 GFADRP COc1cc(Br)ccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415048931 563757765 /nfs/dbraw/zinc/75/77/65/563757765.db2.gz GQNCLHVPPWKPSX-UHFFFAOYSA-N 2 0 382.346 2.764 20 0 GFADRP Fc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)c(I)c1 ZINC000417862711 563890273 /nfs/dbraw/zinc/89/02/73/563890273.db2.gz DDHJVMLOJLSBDN-UHFFFAOYSA-N 2 0 392.256 2.632 20 0 GFADRP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000449134142 563906931 /nfs/dbraw/zinc/90/69/31/563906931.db2.gz HDJUKBHCQGDBRH-ZIAGYGMSSA-N 2 0 388.339 2.938 20 0 GFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000537960420 564178171 /nfs/dbraw/zinc/17/81/71/564178171.db2.gz VDNXFQRBFKBZPH-WMLDXEAASA-N 2 0 382.346 2.716 20 0 GFADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1csc2ccccc21 ZINC000509952913 564320163 /nfs/dbraw/zinc/32/01/63/564320163.db2.gz FTZQUHFDPYTKGX-UHFFFAOYSA-N 2 0 381.567 2.548 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(I)cc2)[C@H](C)C1 ZINC000511053827 564354904 /nfs/dbraw/zinc/35/49/04/564354904.db2.gz ZNJRDXJDAWZIQQ-CJNGLKHVSA-N 2 0 388.293 2.990 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000451991852 564377991 /nfs/dbraw/zinc/37/79/91/564377991.db2.gz SXTMDIQZQLBOAX-UHFFFAOYSA-N 2 0 387.355 2.938 20 0 GFADRP [NH3+]CCC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)CC1CCCC1 ZINC000567889231 564394794 /nfs/dbraw/zinc/39/47/94/564394794.db2.gz DITGYFAGRVPOPO-UHFFFAOYSA-N 2 0 393.329 2.798 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453339447 564453960 /nfs/dbraw/zinc/45/39/60/564453960.db2.gz BVIHKJRZIWXAAB-KEYYUXOJSA-N 2 0 385.346 2.681 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000570162276 564494005 /nfs/dbraw/zinc/49/40/05/564494005.db2.gz IKCNLLUTLQEIEZ-SIUPPRGNSA-N 2 0 394.357 2.855 20 0 GFADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000547809197 564511639 /nfs/dbraw/zinc/51/16/39/564511639.db2.gz IPDRJXPKBRWRIY-UHFFFAOYSA-N 2 0 394.368 2.640 20 0 GFADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000571681751 564561404 /nfs/dbraw/zinc/56/14/04/564561404.db2.gz DDRJEKGUGZZOJI-USXIJHARSA-N 2 0 394.357 2.948 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccccc1Br ZINC000523392052 564665815 /nfs/dbraw/zinc/66/58/15/564665815.db2.gz JBFPCWGAQJKSRX-HNNXBMFYSA-N 2 0 382.346 2.937 20 0 GFADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000575248350 564695242 /nfs/dbraw/zinc/69/52/42/564695242.db2.gz FCNKJPFRHHBYQH-MOPGFXCFSA-N 2 0 379.957 2.689 20 0 GFADRP C[C@@H]1C[N@H+](CCOc2cccc(Br)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490983275 564784492 /nfs/dbraw/zinc/78/44/92/564784492.db2.gz BTXZGERAXIQFHY-VQIMIIECSA-N 2 0 396.373 2.786 20 0 GFADRP C[C@@H](NC(=O)CN1CCN(c2ncc[nH]2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000581496722 564804990 /nfs/dbraw/zinc/80/49/90/564804990.db2.gz WGOFBAGTUOWANG-GFCCVEGCSA-N 2 0 382.295 2.716 20 0 GFADRP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000469231139 565010137 /nfs/dbraw/zinc/01/01/37/565010137.db2.gz LIXSNPCXKNDEDR-AWEZNQCLSA-N 2 0 382.551 2.943 20 0 GFADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000470012550 565035639 /nfs/dbraw/zinc/03/56/39/565035639.db2.gz IZAVHZFATNKUQE-AWEZNQCLSA-N 2 0 378.929 2.750 20 0 GFADRP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636066536 565088993 /nfs/dbraw/zinc/08/89/93/565088993.db2.gz VZGJZJZTYDIDTP-CQSZACIVSA-N 2 0 397.361 2.727 20 0 GFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3nc4cc(Br)ccc4o3)C2)CC1 ZINC000638587170 565202505 /nfs/dbraw/zinc/20/25/05/565202505.db2.gz BFEOJDIKEAWWPF-AWEZNQCLSA-N 2 0 393.329 2.848 20 0 GFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)CCO1 ZINC000662324177 565360655 /nfs/dbraw/zinc/36/06/55/565360655.db2.gz YVHWUULOHFUMJR-HNNXBMFYSA-N 2 0 398.345 2.820 20 0 GFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000662326037 565360990 /nfs/dbraw/zinc/36/09/90/565360990.db2.gz URBVGTNMEKABPW-QGZVFWFLSA-N 2 0 398.345 2.820 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccc(Br)cc1F ZINC000664317464 565458661 /nfs/dbraw/zinc/45/86/61/565458661.db2.gz ZVLYEZJACFRVML-LBPRGKRZSA-N 2 0 389.313 2.982 20 0 GFADRP C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC[NH+](C)CC1 ZINC000644562893 565481600 /nfs/dbraw/zinc/48/16/00/565481600.db2.gz GILFZUQYRPIQGW-MLGOLLRUSA-N 2 0 389.309 2.648 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000645107894 565512505 /nfs/dbraw/zinc/51/25/05/565512505.db2.gz SGBQAUOEQMJGCT-FDQGKXFDSA-N 2 0 380.330 2.614 20 0 GFADRP Cc1ncc(CN(CCn2ccnc2)Cc2ccc(Br)o2)n1C ZINC000668166990 565631209 /nfs/dbraw/zinc/63/12/09/565631209.db2.gz PBIOMCWTPIDZMZ-UHFFFAOYSA-N 2 0 378.274 2.983 20 0 GFADRP Brc1ccc(-c2nnc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[nH]2)cc1 ZINC000647791451 565676542 /nfs/dbraw/zinc/67/65/42/565676542.db2.gz DGSUKXZNMSSYFB-VNHYZAJKSA-N 2 0 376.302 2.712 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccsc1 ZINC000626934172 565716239 /nfs/dbraw/zinc/71/62/39/565716239.db2.gz CFFIMRQZRGKOCY-MELADBBJSA-N 2 0 378.464 2.520 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679341879 566037580 /nfs/dbraw/zinc/03/75/80/566037580.db2.gz YUKXXSUHSYOFPP-SJORKVTESA-N 2 0 383.330 2.716 20 0 GFADRP [NH3+]C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(F)(F)F ZINC000655912488 566095134 /nfs/dbraw/zinc/09/51/34/566095134.db2.gz OWPCFWPCGKQHQM-KBPBESRZSA-N 2 0 378.826 2.666 20 0 GFADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000610821862 566101577 /nfs/dbraw/zinc/10/15/77/566101577.db2.gz XUGYOXDIAMQGRI-OAHLLOKOSA-N 2 0 388.293 2.789 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635443136 566213518 /nfs/dbraw/zinc/21/35/18/566213518.db2.gz FODAOANKGDPXKG-MRXNPFEDSA-N 2 0 382.346 2.681 20 0 GFADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Br)ncc1F ZINC000817982364 660213016 /nfs/dbraw/zinc/21/30/16/660213016.db2.gz CTSXFMMAUWBPAQ-HSBZDZAISA-N 2 0 385.325 2.850 20 0 GFADRP O[C@@H](C[NH2+]CCc1cn2c(n1)CCCC2)c1ccc(F)c(Br)c1 ZINC000818951332 660237190 /nfs/dbraw/zinc/23/71/90/660237190.db2.gz BWRFJTDAOOOFIE-INIZCTEOSA-N 2 0 382.277 2.987 20 0 GFADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCCO1 ZINC000819265331 660252772 /nfs/dbraw/zinc/25/27/72/660252772.db2.gz NHFPKICHAMZFSK-GUYCJALGSA-N 2 0 389.309 2.712 20 0 GFADRP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000834904033 660837528 /nfs/dbraw/zinc/83/75/28/660837528.db2.gz MGTVXCHLYZOOPS-TZUVLKIQSA-N 2 0 397.357 2.824 20 0 GFADRP C[NH+]1CCC(NC(=S)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000060837509 654833204 /nfs/dbraw/zinc/83/32/04/654833204.db2.gz VSKFIIUVPCECON-UHFFFAOYSA-N 2 0 378.611 2.659 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000268126938 654959846 /nfs/dbraw/zinc/95/98/46/654959846.db2.gz OJODQAJANILMRB-UHFFFAOYSA-N 2 0 392.135 2.758 20 0 GFADRP C[C@@H](C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000092615844 655014943 /nfs/dbraw/zinc/01/49/43/655014943.db2.gz GWGIDTDRSUZLSQ-HNNXBMFYSA-N 2 0 396.373 2.942 20 0 GFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000276662991 655282730 /nfs/dbraw/zinc/28/27/30/655282730.db2.gz JTQGKANSFFEXGH-UHFFFAOYSA-N 2 0 380.330 2.637 20 0 GFADRP Cc1c(Br)cccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000575869355 655438864 /nfs/dbraw/zinc/43/88/64/655438864.db2.gz SBOMKPIWJHDPFO-QAPCUYQASA-N 2 0 394.357 2.838 20 0 GFADRP OC1(CC[NH2+]Cc2nc(Br)c[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000718006717 655523935 /nfs/dbraw/zinc/52/39/35/655523935.db2.gz VCYDQLQKMSPKDX-UHFFFAOYSA-N 2 0 393.329 2.679 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)/C=C\c1ccccc1Cl ZINC000727438729 655544873 /nfs/dbraw/zinc/54/48/73/655544873.db2.gz ANSCWCPGGOQYLI-WJDWOHSUSA-N 2 0 387.977 2.846 20 0 GFADRP CSc1ccc([C@H](CNC(=S)NCC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000840767708 661185366 /nfs/dbraw/zinc/18/53/66/661185366.db2.gz QQMZPCUPFMMUNJ-SFHVURJKSA-N 2 0 380.627 2.817 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000840830082 661193808 /nfs/dbraw/zinc/19/38/08/661193808.db2.gz BZCNQSBKLUEZAQ-OAHLLOKOSA-N 2 0 380.524 2.694 20 0 GFADRP C[NH+]1CCC(CNC(=S)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000760475066 655981917 /nfs/dbraw/zinc/98/19/17/655981917.db2.gz BHFDZZPEPIRVPV-KRWDZBQOSA-N 2 0 380.627 2.766 20 0 GFADRP C[NH+](C)CCCNC(=S)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762460873 656042756 /nfs/dbraw/zinc/04/27/56/656042756.db2.gz KONLGTWNNVNGJQ-RHSMWYFYSA-N 2 0 386.968 2.888 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ncc1F ZINC000762743354 656057523 /nfs/dbraw/zinc/05/75/23/656057523.db2.gz BANKDGAUIMQWNH-CHWSQXEVSA-N 2 0 385.325 2.802 20 0 GFADRP CN1CC[NH+](CCCC[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842672542 661348329 /nfs/dbraw/zinc/34/83/29/661348329.db2.gz ZFCWYOGWBDWDDS-UHFFFAOYSA-N 2 0 375.742 2.615 20 0 GFADRP Brc1ncccc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000865439552 662421661 /nfs/dbraw/zinc/42/16/61/662421661.db2.gz YDGJOHCCJPNRBQ-UHFFFAOYSA-N 2 0 390.329 2.541 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@H]1C[NH+](C)C ZINC000870021376 662671652 /nfs/dbraw/zinc/67/16/52/662671652.db2.gz PMDOFCMJNNXPSQ-IAGOWNOFSA-N 2 0 396.373 2.580 20 0 GFADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)c1 ZINC000870919650 662708245 /nfs/dbraw/zinc/70/82/45/662708245.db2.gz CJHGOVURZWQNAA-KRWDZBQOSA-N 2 0 376.298 2.827 20 0 GFADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870948990 662711086 /nfs/dbraw/zinc/71/10/86/662711086.db2.gz ZLPMAOWULAOVQV-CVEARBPZSA-N 2 0 380.330 2.686 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000870950482 662711272 /nfs/dbraw/zinc/71/12/72/662711272.db2.gz GRBJLSNLPJIUCA-RDJZCZTQSA-N 2 0 380.330 2.687 20 0 GFADRP C[NH+]1CCC(n2cc(NC(=O)[C@@H]([NH3+])c3cccc(Br)c3)cn2)CC1 ZINC000877195177 662872154 /nfs/dbraw/zinc/87/21/54/662872154.db2.gz HHUGAWQVUVHMLF-INIZCTEOSA-N 2 0 392.301 2.551 20 0 GFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)c1ccc(Br)cc1 ZINC000878287401 662893177 /nfs/dbraw/zinc/89/31/77/662893177.db2.gz AYPGDCVHJSLMPN-XDNAFOTISA-N 2 0 383.330 2.666 20 0 GFADRP COCC[N@H+](C[C@H](O)c1ccc(Br)cc1)CC1CC[NH+](C)CC1 ZINC000879125030 662918019 /nfs/dbraw/zinc/91/80/19/662918019.db2.gz MVVRIQMEPFCQED-SFHVURJKSA-N 2 0 385.346 2.773 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)cnn1C ZINC000903937786 663812771 /nfs/dbraw/zinc/81/27/71/663812771.db2.gz RFJBJDPVOXETSF-YJQAKTFBSA-N 2 0 389.341 2.536 20 0 GFADRP C[C@H](NC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000911725731 664254248 /nfs/dbraw/zinc/25/42/48/664254248.db2.gz PFPKGFKDMFRYOC-GJZGRUSLSA-N 2 0 394.357 2.575 20 0 GFADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)cn3)C2)[C@@H]1C(C)C ZINC000922392171 664598860 /nfs/dbraw/zinc/59/88/60/664598860.db2.gz BYTTVAMGUIYDEX-BDXSIMOUSA-N 2 0 382.346 2.804 20 0 GFADRP C[C@](C[NH3+])([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000923296762 664627721 /nfs/dbraw/zinc/62/77/21/664627721.db2.gz WNUCAIZWFLGHRV-IUODEOHRSA-N 2 0 377.710 2.559 20 0 GFADRP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923321100 664628216 /nfs/dbraw/zinc/62/82/16/664628216.db2.gz KFQDFEJSZQVJCZ-CYBMUJFWSA-N 2 0 381.318 2.637 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc3c(cc1Br)OCO3)CC2 ZINC000923444244 664630608 /nfs/dbraw/zinc/63/06/08/664630608.db2.gz VOVWQQZERTYUQK-CYBMUJFWSA-N 2 0 383.286 2.508 20 0 GFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCc4ncc(Br)cc43)C2)CC1 ZINC000925041546 664665784 /nfs/dbraw/zinc/66/57/84/664665784.db2.gz PHZMSASGGJAOTA-DNVCBOLYSA-N 2 0 393.373 2.980 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925565931 664673134 /nfs/dbraw/zinc/67/31/34/664673134.db2.gz BFEYZJFYTOEOGG-HZPDHXFCSA-N 2 0 380.330 2.657 20 0 GFADRP O=C1O[C@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)CC12CC[NH2+]CC2 ZINC000925849318 664675905 /nfs/dbraw/zinc/67/59/05/664675905.db2.gz HYBMJFCBJDLMMP-HOCLYGCPSA-N 2 0 379.298 2.711 20 0 GFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850308 664675924 /nfs/dbraw/zinc/67/59/24/664675924.db2.gz IJVSAYHAUNTMTI-OCCSQVGLSA-N 2 0 399.304 2.794 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)CC12CC[NH2+]CC2 ZINC000925854187 664676227 /nfs/dbraw/zinc/67/62/27/664676227.db2.gz LHKQLXDAXGQIIH-ZBFHGGJFSA-N 2 0 379.298 2.711 20 0 GFADRP c1nc2n(c1C[NH+]1CCCC1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164736300 720580849 /nfs/dbraw/zinc/58/08/49/720580849.db2.gz HKDJJSFRNQKIAE-UHFFFAOYSA-N 2 0 380.540 2.532 20 0 GFADRP c1cc2c[nH+]c(N3CC[C@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2[nH]1 ZINC001164744917 720814920 /nfs/dbraw/zinc/81/49/20/720814920.db2.gz JSDKMACYTUNGGR-BJLQDIEVSA-N 2 0 377.496 2.534 20 0 GFADRP O=C(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(Br)c1 ZINC000125243953 551320763 /nfs/dbraw/zinc/32/07/63/551320763.db2.gz VFJJTZXUVJSLFV-UHFFFAOYSA-N 2 0 389.297 2.995 20 0 GFADRP Cc1cccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1Cl ZINC000180137159 552214278 /nfs/dbraw/zinc/21/42/78/552214278.db2.gz SAVXEZQMXUKONF-UHFFFAOYSA-N 2 0 375.966 2.543 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000261739179 553157316 /nfs/dbraw/zinc/15/73/16/553157316.db2.gz LQWZTWMUKJLAKJ-DNVCBOLYSA-N 2 0 394.357 2.957 20 0 GFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261718884 553157360 /nfs/dbraw/zinc/15/73/60/553157360.db2.gz JVFNIGPPAOSPFS-GLJUWKHASA-N 2 0 382.346 2.860 20 0 GFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772166 563349361 /nfs/dbraw/zinc/34/93/61/563349361.db2.gz YYYNBSMWNDMVDB-RYUDHWBXSA-N 2 0 377.348 2.717 20 0 GFADRP CC(C)[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418419932 563217254 /nfs/dbraw/zinc/21/72/54/563217254.db2.gz ZTTAYHVKXGYSPM-INIZCTEOSA-N 2 0 385.350 2.506 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896349 563349595 /nfs/dbraw/zinc/34/95/95/563349595.db2.gz XVKVQJJLPNZXCF-GDIGMMSISA-N 2 0 396.373 2.755 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000423057453 563353707 /nfs/dbraw/zinc/35/37/07/563353707.db2.gz ZTQIFNXNRVPJCR-RHSMWYFYSA-N 2 0 398.345 2.596 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423115981 563355899 /nfs/dbraw/zinc/35/58/99/563355899.db2.gz ONDJETRMDRIRSI-NSHDSACASA-N 2 0 382.673 2.788 20 0 GFADRP Brc1cnn(CCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423129333 563356868 /nfs/dbraw/zinc/35/68/68/563356868.db2.gz QZQSTEOIQBFKMK-WMZOPIPTSA-N 2 0 391.313 2.881 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423154266 563357130 /nfs/dbraw/zinc/35/71/30/563357130.db2.gz JEKLYEUOVXPAHX-GRDNDAEWSA-N 2 0 385.346 2.586 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423162031 563358001 /nfs/dbraw/zinc/35/80/01/563358001.db2.gz OTWKHEZYKFDSKJ-ZQIUZPCESA-N 2 0 385.346 2.716 20 0 GFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423388605 563360525 /nfs/dbraw/zinc/36/05/25/563360525.db2.gz MZHOWUNGKDZDQO-HOCLYGCPSA-N 2 0 375.460 2.658 20 0 GFADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423496387 563361452 /nfs/dbraw/zinc/36/14/52/563361452.db2.gz WTEZBKUIYMIFKI-XJKSGUPXSA-N 2 0 388.293 2.580 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424386352 563377529 /nfs/dbraw/zinc/37/75/29/563377529.db2.gz XJGBVVSKGGXAEI-HERUPUMHSA-N 2 0 394.684 2.787 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)oc1C ZINC000424638053 563384731 /nfs/dbraw/zinc/38/47/31/563384731.db2.gz KKNBFRSSOSTFRE-AWEZNQCLSA-N 2 0 386.334 2.839 20 0 GFADRP C[NH2+]C[C@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000430616987 563546870 /nfs/dbraw/zinc/54/68/70/563546870.db2.gz JBIRMVCRRRAVME-CQSZACIVSA-N 2 0 388.293 2.992 20 0 GFADRP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637939 563546898 /nfs/dbraw/zinc/54/68/98/563546898.db2.gz DSVKLVSPPXVDHO-GOEBONIOSA-N 2 0 380.330 2.654 20 0 GFADRP CC(C)SCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000286936312 563580841 /nfs/dbraw/zinc/58/08/41/563580841.db2.gz GPYDUNWRYLVNLF-INIZCTEOSA-N 2 0 387.615 2.709 20 0 GFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432410011 563583334 /nfs/dbraw/zinc/58/33/34/563583334.db2.gz LAOSIQHPVDGRNZ-KLHKWILBSA-N 2 0 394.357 2.872 20 0 GFADRP C[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Oc1ccc(Br)cc1 ZINC000433150490 563604812 /nfs/dbraw/zinc/60/48/12/563604812.db2.gz GNQOASLPQFMNSR-AWEZNQCLSA-N 2 0 398.345 2.536 20 0 GFADRP C[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Oc1cccc(Br)c1 ZINC000433155264 563605180 /nfs/dbraw/zinc/60/51/80/563605180.db2.gz XMKSVRQUENAUPU-AWEZNQCLSA-N 2 0 398.345 2.536 20 0 GFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2cn3ccc(Br)cc3n2)CC1 ZINC000289400667 563673574 /nfs/dbraw/zinc/67/35/74/563673574.db2.gz AHTYFJZMNJUTFE-IRXDYDNUSA-N 2 0 393.329 2.564 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCC[NH+](C)C)CC1 ZINC000363912060 563736223 /nfs/dbraw/zinc/73/62/23/563736223.db2.gz WBIASJOGFPKXRP-UHFFFAOYSA-N 2 0 382.346 2.903 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2csc(Br)c2)C2CC2)C1 ZINC000414711309 563750869 /nfs/dbraw/zinc/75/08/69/563750869.db2.gz SGMVUWVWJUMLMT-GFCCVEGCSA-N 2 0 386.359 2.672 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2cc(Br)ccc2F)C2CC2)C1 ZINC000414726791 563751061 /nfs/dbraw/zinc/75/10/61/563751061.db2.gz ADQLYLMMBYVSSR-CYBMUJFWSA-N 2 0 398.320 2.750 20 0 GFADRP C[C@@]1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCC[NH2+]C1 ZINC000414920273 563754245 /nfs/dbraw/zinc/75/42/45/563754245.db2.gz YWMUIUQKFOZIQD-GOSISDBHSA-N 2 0 382.346 2.765 20 0 GFADRP Fc1ccc(Br)cc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414971407 563755613 /nfs/dbraw/zinc/75/56/13/563755613.db2.gz IMSBJVCNPFIUHV-CYBMUJFWSA-N 2 0 384.215 2.514 20 0 GFADRP [NH3+]CC1(O)CC[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000415141666 563761216 /nfs/dbraw/zinc/76/12/16/563761216.db2.gz NUZAYVOGYSIATA-UHFFFAOYSA-N 2 0 382.327 2.858 20 0 GFADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cc1cscc1Br ZINC000294602466 563848045 /nfs/dbraw/zinc/84/80/45/563848045.db2.gz DHWFCLWKORJBJO-UHFFFAOYSA-N 2 0 388.375 2.538 20 0 GFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367886434 563858539 /nfs/dbraw/zinc/85/85/39/563858539.db2.gz OPEPUTLTXSOYKS-PVAVHDDUSA-N 2 0 385.350 2.515 20 0 GFADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000564798513 564250171 /nfs/dbraw/zinc/25/01/71/564250171.db2.gz YXKIWUKBXVCEGE-KGLIPLIRSA-N 2 0 385.350 2.648 20 0 GFADRP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000564826287 564250874 /nfs/dbraw/zinc/25/08/74/564250874.db2.gz KIGXXXRHNVLROT-ZACQAIPSSA-N 2 0 380.330 2.689 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000508082860 564252810 /nfs/dbraw/zinc/25/28/10/564252810.db2.gz UQCOAPMGPJBOKT-MRXNPFEDSA-N 2 0 387.977 2.685 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]21 ZINC000566562207 564332825 /nfs/dbraw/zinc/33/28/25/564332825.db2.gz OKWKKVIJSBOONJ-ZFVVBOAOSA-N 2 0 378.314 2.614 20 0 GFADRP C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C(C)(C)C[NH+](C)C ZINC000567689089 564383395 /nfs/dbraw/zinc/38/33/95/564383395.db2.gz CBQCGTGQEADLLL-IUODEOHRSA-N 2 0 391.325 2.894 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000568089273 564404323 /nfs/dbraw/zinc/40/43/23/564404323.db2.gz PRMARPJJLKZXQH-INIZCTEOSA-N 2 0 394.357 2.729 20 0 GFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479056582 564424124 /nfs/dbraw/zinc/42/41/24/564424124.db2.gz HVNNRVVDJXBCGH-JTQLQIEISA-N 2 0 380.341 2.633 20 0 GFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)c(I)c1 ZINC000453119908 564447009 /nfs/dbraw/zinc/44/70/09/564447009.db2.gz JQAZCFBYLCSBHK-LLVKDONJSA-N 2 0 392.256 2.538 20 0 GFADRP C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000519597210 564583376 /nfs/dbraw/zinc/58/33/76/564583376.db2.gz QISSHUQGDJDLTB-MLGOLLRUSA-N 2 0 387.293 2.568 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)CC1=Cc2cc(Br)ccc2OC1 ZINC000521687532 564633896 /nfs/dbraw/zinc/63/38/96/564633896.db2.gz VAIGPXIJVLISFR-UHFFFAOYSA-N 2 0 382.346 2.650 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccc(Br)cc1 ZINC000573668117 564648614 /nfs/dbraw/zinc/64/86/14/564648614.db2.gz QWIDTFALCPFONK-KRWDZBQOSA-N 2 0 380.330 2.615 20 0 GFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)C[C@H]21 ZINC000573685256 564649576 /nfs/dbraw/zinc/64/95/76/564649576.db2.gz ZMPGTZFLJDPEAG-NJZAAPMLSA-N 2 0 384.293 2.976 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1c(F)cc(F)cc1Br ZINC000579663530 564750947 /nfs/dbraw/zinc/75/09/47/564750947.db2.gz JXMDZXRTWWSZLP-UHFFFAOYSA-N 2 0 393.276 2.684 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527639539 564752915 /nfs/dbraw/zinc/75/29/15/564752915.db2.gz GCYNMWDXVRKFIR-UHFFFAOYSA-N 2 0 376.289 2.845 20 0 GFADRP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555550147 564797651 /nfs/dbraw/zinc/79/76/51/564797651.db2.gz JQPXOKKFZLNTJL-IRXDYDNUSA-N 2 0 381.358 2.989 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000561569682 565003002 /nfs/dbraw/zinc/00/30/02/565003002.db2.gz FWAUJKFUBCOBQR-UHFFFAOYSA-N 2 0 376.879 2.567 20 0 GFADRP CSc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000685615148 565116009 /nfs/dbraw/zinc/11/60/09/565116009.db2.gz BLEQKCGJUOAOOZ-UHFFFAOYSA-N 2 0 377.583 2.952 20 0 GFADRP C[NH+](C)[C@@H](CNC(=O)NCc1nccn1CC(F)(F)F)c1cccs1 ZINC000590150351 565178757 /nfs/dbraw/zinc/17/87/57/565178757.db2.gz WUCCFOIPONMQHI-NSHDSACASA-N 2 0 375.420 2.609 20 0 GFADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)CC[C@@H]21 ZINC000646249007 565591777 /nfs/dbraw/zinc/59/17/77/565591777.db2.gz BFEFFCAOOQGAOQ-RPVQJOFSSA-N 2 0 380.330 2.566 20 0 GFADRP Cc1c2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[nH]c2ccc1Br ZINC000668302803 565638487 /nfs/dbraw/zinc/63/84/87/565638487.db2.gz QPYIUQRKSVGFGV-UHFFFAOYSA-N 2 0 395.345 2.804 20 0 GFADRP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc(Br)c1 ZINC000647795255 565677061 /nfs/dbraw/zinc/67/70/61/565677061.db2.gz MNASOFVIOHPPPB-GKLJAUDBSA-N 2 0 378.314 2.532 20 0 GFADRP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C(F)(F)F ZINC000647795180 565677156 /nfs/dbraw/zinc/67/71/56/565677156.db2.gz JLPCNJAJFZUDAL-HZSPNIEDSA-N 2 0 376.444 2.587 20 0 GFADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647799505 565677311 /nfs/dbraw/zinc/67/73/11/565677311.db2.gz IJCZGRIQQVLAAE-LEUOFYLZSA-N 2 0 381.358 2.886 20 0 GFADRP C[C@@H]1[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000648753929 565726170 /nfs/dbraw/zinc/72/61/70/565726170.db2.gz OADWIBNFINPDBS-RHSMWYFYSA-N 2 0 382.346 2.680 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000607237759 565981626 /nfs/dbraw/zinc/98/16/26/565981626.db2.gz BRYBODPWZBDXFG-UHFFFAOYSA-N 2 0 375.344 2.671 20 0 GFADRP C[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000679341743 566038679 /nfs/dbraw/zinc/03/86/79/566038679.db2.gz ZJVUEKWKRATQPO-MNEFBYGVSA-N 2 0 396.373 2.895 20 0 GFADRP CC1CC[NH+]([C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c2cccs2)CC1 ZINC000655912769 566095822 /nfs/dbraw/zinc/09/58/22/566095822.db2.gz PCIBDYFRWOHOPA-GXTWGEPZSA-N 2 0 378.464 2.710 20 0 GFADRP [NH3+][C@H](c1cn(CCC[NH+]2CCSCC2)nn1)c1ccc(Br)cc1 ZINC000656450490 566126769 /nfs/dbraw/zinc/12/67/69/566126769.db2.gz WDQOQZVIZKWFRG-INIZCTEOSA-N 2 0 396.358 2.528 20 0 GFADRP C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH+](C)CC1 ZINC000683695751 566210536 /nfs/dbraw/zinc/21/05/36/566210536.db2.gz NBVXTLAMUCNKQW-GUYCJALGSA-N 2 0 380.330 2.874 20 0 GFADRP C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000820427828 607055590 /nfs/dbraw/zinc/05/55/90/607055590.db2.gz UTSGVWITFGMJHO-AWEZNQCLSA-N 2 0 384.459 2.797 20 0 GFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824937241 608279427 /nfs/dbraw/zinc/27/94/27/608279427.db2.gz OYPMOHIXMFICJX-UZLBHIALSA-N 2 0 384.528 2.878 20 0 GFADRP Brc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000823821744 609363387 /nfs/dbraw/zinc/36/33/87/609363387.db2.gz ZEGYBSHSXOPEPJ-UHFFFAOYSA-N 2 0 388.273 2.732 20 0 GFADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Br ZINC000819083903 660245844 /nfs/dbraw/zinc/24/58/44/660245844.db2.gz HRXCGRWUSJQDAT-KDOFPFPSSA-N 2 0 383.330 2.573 20 0 GFADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000827867255 660520701 /nfs/dbraw/zinc/52/07/01/660520701.db2.gz VECVJEBWFHINBJ-QGZVFWFLSA-N 2 0 378.388 2.986 20 0 GFADRP C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1Br ZINC000128021180 654839772 /nfs/dbraw/zinc/83/97/72/654839772.db2.gz JNOWXLLDUFFLLP-STQMWFEESA-N 2 0 386.309 2.826 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)c(F)c1 ZINC000132513299 654939966 /nfs/dbraw/zinc/93/99/66/654939966.db2.gz ZIQKCUZQVZGPKR-UHFFFAOYSA-N 2 0 375.286 2.545 20 0 GFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc3c(cc2Br)OCO3)CC1 ZINC000268454031 654972412 /nfs/dbraw/zinc/97/24/12/654972412.db2.gz WUXIEARMGQXRPF-UHFFFAOYSA-N 2 0 385.302 2.503 20 0 GFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000274672970 655196653 /nfs/dbraw/zinc/19/66/53/655196653.db2.gz YJBNTRBYWPKNTJ-KXBFYZLASA-N 2 0 380.374 2.922 20 0 GFADRP C[NH+](Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000277329183 655313406 /nfs/dbraw/zinc/31/34/06/655313406.db2.gz CNWAYGMPZXTLHR-ZWKOTPCHSA-N 2 0 383.330 2.891 20 0 GFADRP Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000575869354 655438893 /nfs/dbraw/zinc/43/88/93/655438893.db2.gz SBOMKPIWJHDPFO-MAUKXSAKSA-N 2 0 394.357 2.838 20 0 GFADRP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[NH+]1CC(C)C1 ZINC000578904407 655488938 /nfs/dbraw/zinc/48/89/38/655488938.db2.gz LLILBRQNSQVUPM-OAHLLOKOSA-N 2 0 382.346 2.680 20 0 GFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000788487851 657728367 /nfs/dbraw/zinc/72/83/67/657728367.db2.gz JGHPPOVFHNWYJM-HNNXBMFYSA-N 2 0 395.345 2.836 20 0 GFADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000870943747 662710037 /nfs/dbraw/zinc/71/00/37/662710037.db2.gz UPMIYNZPGHVKSV-NJAFHUGGSA-N 2 0 388.309 2.650 20 0 GFADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000872148956 662756572 /nfs/dbraw/zinc/75/65/72/662756572.db2.gz LTYMRYAIBGNWLF-GXFFZTMASA-N 2 0 394.235 2.847 20 0 GFADRP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000873274411 662804786 /nfs/dbraw/zinc/80/47/86/662804786.db2.gz DDHLHDOMUNVUFI-FYFSBDKLSA-N 2 0 377.326 2.834 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000877146134 662871636 /nfs/dbraw/zinc/87/16/36/662871636.db2.gz STAUWTNEHYYOCY-UHFFFAOYSA-N 2 0 375.742 2.615 20 0 GFADRP [NH3+][C@@H](CCNC(=O)[C@H]([NH3+])c1cccc(Br)c1)Cc1ccccc1 ZINC000877159184 662871808 /nfs/dbraw/zinc/87/18/08/662871808.db2.gz AMZHTXYTGWHODP-DLBZAZTESA-N 2 0 376.298 2.525 20 0 GFADRP COc1sc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1Br ZINC000877669798 662881374 /nfs/dbraw/zinc/88/13/74/662881374.db2.gz ZQUKJHWOXUDYHS-CHWSQXEVSA-N 2 0 390.391 2.690 20 0 GFADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000878458004 662896913 /nfs/dbraw/zinc/89/69/13/662896913.db2.gz LPBHTBJJKAQWTP-MRXNPFEDSA-N 2 0 386.309 2.839 20 0 GFADRP Cc1cc(C(C)(C)[NH2+]CC(=O)NC2CC[NH+](C)CC2)ccc1Br ZINC000878634183 662901166 /nfs/dbraw/zinc/90/11/66/662901166.db2.gz XWLIAZKDJASBOB-UHFFFAOYSA-N 2 0 382.346 2.793 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000884394652 663070168 /nfs/dbraw/zinc/07/01/68/663070168.db2.gz KMQFBSRUEGWXHD-WBVHZDCISA-N 2 0 380.330 2.687 20 0 GFADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884454456 663071079 /nfs/dbraw/zinc/07/10/79/663071079.db2.gz ONXGLWHSQNMENA-MRXNPFEDSA-N 2 0 380.330 2.926 20 0 GFADRP COc1ccc([C@H](C)[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1Br ZINC000903920348 663811717 /nfs/dbraw/zinc/81/17/17/663811717.db2.gz IMQWSSPWPKMAJL-GXTWGEPZSA-N 2 0 394.317 2.825 20 0 GFADRP O=C(Nc1ccc(Br)cc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905295703 663864446 /nfs/dbraw/zinc/86/44/46/663864446.db2.gz WPTXWHGQWWJMMF-CALCHBBNSA-N 2 0 393.329 2.882 20 0 GFADRP Cc1nc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)sc1Br ZINC000905420642 663870816 /nfs/dbraw/zinc/87/08/16/663870816.db2.gz WSRVSROVRZUHEX-UHFFFAOYSA-N 2 0 382.331 2.973 20 0 GFADRP C[NH+](C)CCNC(=S)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000920753824 664530370 /nfs/dbraw/zinc/53/03/70/664530370.db2.gz WNZJQJSLBVNUNZ-UHFFFAOYSA-N 2 0 376.492 2.505 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000921705473 664562587 /nfs/dbraw/zinc/56/25/87/664562587.db2.gz VRMHDVZTLQTRFW-LBPRGKRZSA-N 2 0 383.309 2.795 20 0 GFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923332103 664628438 /nfs/dbraw/zinc/62/84/38/664628438.db2.gz OXOXYMFZLBNZFT-GVXVVHGQSA-N 2 0 377.710 2.511 20 0 GFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000923376186 664629229 /nfs/dbraw/zinc/62/92/29/664629229.db2.gz VHTPNZLSZKLSMS-KURKYZTESA-N 2 0 383.330 2.701 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000923445001 664630583 /nfs/dbraw/zinc/63/05/83/664630583.db2.gz WREWUQBLXXRENG-KBPBESRZSA-N 2 0 389.323 2.563 20 0 GFADRP O=C1O[C@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC12CC[NH2+]CC2 ZINC000925851530 664675857 /nfs/dbraw/zinc/67/58/57/664675857.db2.gz FYNNAZGGBCFNTO-LRDDRELGSA-N 2 0 397.288 2.850 20 0 GFADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)cc1F ZINC000925851930 664676092 /nfs/dbraw/zinc/67/60/92/664676092.db2.gz TZRJDYZZMDJOHY-YPMHNXCESA-N 2 0 385.277 2.924 20 0 GFADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851905 664676100 /nfs/dbraw/zinc/67/61/00/664676100.db2.gz TUGJSHWNFAOBHU-WFASDCNBSA-N 2 0 399.304 2.794 20 0 GFADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(Br)n1)C2 ZINC000926878674 664698206 /nfs/dbraw/zinc/69/82/06/664698206.db2.gz HQLWWEOUARCSOY-DILNWQEPSA-N 2 0 382.346 2.974 20 0 GFADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)nc1 ZINC001164426068 718918978 /nfs/dbraw/zinc/91/89/78/718918978.db2.gz WDTNGDFXFCFIMB-UNMCSNQZSA-N 2 0 388.556 2.604 20 0 GFADRP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(OC3CC[NH2+]CC3)nn2)cc1 ZINC001164629010 719099055 /nfs/dbraw/zinc/09/90/55/719099055.db2.gz PUEHUSXUQKTNHH-FPOVZHCZSA-N 2 0 393.535 2.708 20 0 GFADRP C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2)CC1 ZINC001164725322 720471279 /nfs/dbraw/zinc/47/12/79/720471279.db2.gz JOYIALITIRMLHC-FCHUYYIVSA-N 2 0 393.535 2.803 20 0 GFADRP c1ccc(C[N@@H+]2CCc3nc(N4CC[NH+](C[C@@H]5CCCO5)CC4)ccc3C2)cc1 ZINC001165040105 721906152 /nfs/dbraw/zinc/90/61/52/721906152.db2.gz YJYCMPVXRNOYMA-QFIPXVFZSA-N 2 0 392.547 2.941 20 0 GFADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4c2CC[NH2+]CC4)C3)c1 ZINC001164995300 722191688 /nfs/dbraw/zinc/19/16/88/722191688.db2.gz UEUYBUVFAFJHAP-JOCHJYFZSA-N 2 0 381.499 2.549 20 0 GFADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124700830 551316612 /nfs/dbraw/zinc/31/66/12/551316612.db2.gz CNGWPPBLDQBTTG-MRXNPFEDSA-N 2 0 398.393 2.574 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Br)c(Cl)c1 ZINC000152682709 551437901 /nfs/dbraw/zinc/43/79/01/551437901.db2.gz MOQPVLHGOZWNPQ-UHFFFAOYSA-N 2 0 376.726 2.668 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000162515361 551609230 /nfs/dbraw/zinc/60/92/30/551609230.db2.gz OVCBQPYDSXMVCC-QGZVFWFLSA-N 2 0 382.346 2.890 20 0 GFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cccc(Br)c1 ZINC000168948997 551634905 /nfs/dbraw/zinc/63/49/05/551634905.db2.gz JSIYFVJWHMFLSW-LJQANCHMSA-N 2 0 398.389 2.880 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422901416 563349667 /nfs/dbraw/zinc/34/96/67/563349667.db2.gz CACHJXGFDACSCF-CXAGYDPISA-N 2 0 398.345 2.555 20 0 GFADRP [NH3+]CC1CCC([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000422795429 563349769 /nfs/dbraw/zinc/34/97/69/563349769.db2.gz VNMLEMNMZFPPDF-UHFFFAOYSA-N 2 0 385.599 2.572 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCNc2ncc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000422793050 563350007 /nfs/dbraw/zinc/35/00/07/563350007.db2.gz XPXBHCFBDRFFML-GFCCVEGCSA-N 2 0 389.327 2.711 20 0 GFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422952158 563351788 /nfs/dbraw/zinc/35/17/88/563351788.db2.gz ACZOAHIDLLGYJY-GFCCVEGCSA-N 2 0 391.313 2.692 20 0 GFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423109831 563355574 /nfs/dbraw/zinc/35/55/74/563355574.db2.gz VCSIMVOAHQOJLV-HOTGVXAUSA-N 2 0 387.977 2.909 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423116497 563356425 /nfs/dbraw/zinc/35/64/25/563356425.db2.gz QAOFJKVZGOWQRP-NURSFMCSSA-N 2 0 394.684 2.787 20 0 GFADRP Brc1cnn(CCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423129324 563357014 /nfs/dbraw/zinc/35/70/14/563357014.db2.gz QZQSTEOIQBFKMK-AEFFLSMTSA-N 2 0 391.313 2.881 20 0 GFADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1 ZINC000423377878 563360427 /nfs/dbraw/zinc/36/04/27/563360427.db2.gz FQBSOLKXTZALPA-FZMZJTMJSA-N 2 0 380.252 2.936 20 0 GFADRP Cc1nc(C(F)(F)F)c(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000375202484 563394749 /nfs/dbraw/zinc/39/47/49/563394749.db2.gz QSUZFQLVZTVFPH-GXTWGEPZSA-N 2 0 376.492 2.928 20 0 GFADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@H]1c1cccc(Cl)c1 ZINC000376694175 563450782 /nfs/dbraw/zinc/45/07/82/563450782.db2.gz FJHYBRKQSYULOE-SZVBFZGTSA-N 2 0 381.973 2.934 20 0 GFADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439461800 563726621 /nfs/dbraw/zinc/72/66/21/563726621.db2.gz MFZFSHDINHKABH-MRXNPFEDSA-N 2 0 389.309 2.602 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(c3cccc(Br)c3)CC2)C1 ZINC000414739322 563751420 /nfs/dbraw/zinc/75/14/20/563751420.db2.gz CICBYFNRUVPHOX-OAHLLOKOSA-N 2 0 394.357 2.826 20 0 GFADRP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC1(c2ccc(Br)cc2)CC1 ZINC000414746591 563752014 /nfs/dbraw/zinc/75/20/14/563752014.db2.gz SKVIUDNHYGATAQ-HNNXBMFYSA-N 2 0 394.357 2.610 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)C1 ZINC000414753382 563752025 /nfs/dbraw/zinc/75/20/25/563752025.db2.gz DMFBZGPDYLUHLW-STQMWFEESA-N 2 0 386.359 2.845 20 0 GFADRP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414827231 563753552 /nfs/dbraw/zinc/75/35/52/563753552.db2.gz GYMKFRFGLITTAX-AWEZNQCLSA-N 2 0 399.329 2.789 20 0 GFADRP Brc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(N2CCOCC2)c1 ZINC000414833760 563753799 /nfs/dbraw/zinc/75/37/99/563753799.db2.gz GUCBYGRWHXJBBY-OAHLLOKOSA-N 2 0 382.346 2.765 20 0 GFADRP FC(F)Oc1ccc(Cl)cc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414962681 563755398 /nfs/dbraw/zinc/75/53/98/563755398.db2.gz AGOSMKZEHGLRGD-ZDUSSCGKSA-N 2 0 387.780 2.867 20 0 GFADRP Cc1nc(-c2ccc(CC[NH2+]C[C@@H]3CCCN(C(=O)C[NH3+])C3)s2)cs1 ZINC000415088020 563758619 /nfs/dbraw/zinc/75/86/19/563758619.db2.gz LMFIQIISQDTIIT-AWEZNQCLSA-N 2 0 378.567 2.509 20 0 GFADRP CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000415086846 563758768 /nfs/dbraw/zinc/75/87/68/563758768.db2.gz VDOFVEVIYMDYIA-HNNXBMFYSA-N 2 0 382.346 2.557 20 0 GFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1(C)C ZINC000442874497 563782360 /nfs/dbraw/zinc/78/23/60/563782360.db2.gz MHOQGPFGGOXROP-GOSISDBHSA-N 2 0 380.374 2.922 20 0 GFADRP Cc1cccc(Cl)c1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000416363766 563817479 /nfs/dbraw/zinc/81/74/79/563817479.db2.gz RKPHSMPMVJJPHI-UHFFFAOYSA-N 2 0 375.966 2.543 20 0 GFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000367247368 563837713 /nfs/dbraw/zinc/83/77/13/563837713.db2.gz URGDHXJIPHCFJR-GRGSLBFTSA-N 2 0 397.357 2.962 20 0 GFADRP COc1cc(Br)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000368074866 563863142 /nfs/dbraw/zinc/86/31/42/563863142.db2.gz KCCKRIKZZSJAIL-YJBOKZPZSA-N 2 0 396.373 2.916 20 0 GFADRP COc1nccc(CN(CCn2ccnc2)Cc2ccc(Br)o2)n1 ZINC000449326886 564180689 /nfs/dbraw/zinc/18/06/89/564180689.db2.gz ZZKRXWADTBVDCP-UHFFFAOYSA-N 2 0 392.257 2.740 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449681577 564195830 /nfs/dbraw/zinc/19/58/30/564195830.db2.gz MCAGDCGOMRWKSK-QGTPRVQTSA-N 2 0 397.357 2.825 20 0 GFADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000564846572 564252572 /nfs/dbraw/zinc/25/25/72/564252572.db2.gz PVAVZSHCDYMTLW-KRWDZBQOSA-N 2 0 385.346 2.899 20 0 GFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000566116590 564310794 /nfs/dbraw/zinc/31/07/94/564310794.db2.gz PXULMEJETGITRL-XBFCOCLRSA-N 2 0 391.737 2.915 20 0 GFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000566116583 564310966 /nfs/dbraw/zinc/31/09/66/564310966.db2.gz PXULMEJETGITRL-KWCYVHTRSA-N 2 0 391.737 2.915 20 0 GFADRP CC[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccc(Cl)s1 ZINC000542555913 564317902 /nfs/dbraw/zinc/31/79/02/564317902.db2.gz YHCACVJNOAHVKL-HUUCEWRRSA-N 2 0 387.977 2.915 20 0 GFADRP CC(C)(C[NH2+]C[C@@H](O)COc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000567582667 564378916 /nfs/dbraw/zinc/37/89/16/564378916.db2.gz UQJKVLHQDFEXAF-MRXNPFEDSA-N 2 0 385.346 2.900 20 0 GFADRP O=C(CC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)Nc1cccc(Br)c1 ZINC000514673900 564453544 /nfs/dbraw/zinc/45/35/44/564453544.db2.gz UIDOGTGJCKUQGF-QGZVFWFLSA-N 2 0 398.345 2.604 20 0 GFADRP C[C@H]1C[N@H+](CCC[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCCO1 ZINC000569476498 564465826 /nfs/dbraw/zinc/46/58/26/564465826.db2.gz VBIUKYNPENCNPV-HNNXBMFYSA-N 2 0 398.345 2.868 20 0 GFADRP O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000517567457 564536581 /nfs/dbraw/zinc/53/65/81/564536581.db2.gz PHCDRZQMRHNLMA-QGZVFWFLSA-N 2 0 385.339 2.692 20 0 GFADRP C[C@@H](CNCCS(=O)(=O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000519595083 564582449 /nfs/dbraw/zinc/58/24/49/564582449.db2.gz GJQQSCUUJDHWGE-AWEZNQCLSA-N 2 0 389.359 2.544 20 0 GFADRP C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000519597199 564583400 /nfs/dbraw/zinc/58/34/00/564583400.db2.gz QISSHUQGDJDLTB-LRDDRELGSA-N 2 0 387.293 2.568 20 0 GFADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Br)c(F)c2F)CC1(C)C ZINC000527704584 564757165 /nfs/dbraw/zinc/75/71/65/564757165.db2.gz ZTOQSBAYSMQVHX-UHFFFAOYSA-N 2 0 376.289 2.843 20 0 GFADRP C[C@H](NC(=O)CN1CCN(c2ncc[nH]2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000581496723 564805422 /nfs/dbraw/zinc/80/54/22/564805422.db2.gz WGOFBAGTUOWANG-LBPRGKRZSA-N 2 0 382.295 2.716 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000529390266 564833235 /nfs/dbraw/zinc/83/32/35/564833235.db2.gz YEKFVJKPBXAPHO-SJLPKXTDSA-N 2 0 385.339 2.991 20 0 GFADRP Cc1[nH+]c2ccc(Br)cc2c(NCCN2CC[NH+](C)CC2)c1C ZINC000462919795 564863106 /nfs/dbraw/zinc/86/31/06/564863106.db2.gz NNKJUJPMWXLXOT-UHFFFAOYSA-N 2 0 377.330 2.695 20 0 GFADRP Cc1cc(F)c(Br)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530494962 564884519 /nfs/dbraw/zinc/88/45/19/564884519.db2.gz MJMPXACQUCMRKT-UHFFFAOYSA-N 2 0 389.313 2.854 20 0 GFADRP Cc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(F)cc1Br ZINC000558526332 564904116 /nfs/dbraw/zinc/90/41/16/564904116.db2.gz ZUEJTORNRNGJRX-UHFFFAOYSA-N 2 0 389.313 2.854 20 0 GFADRP O=C(C[C@@H]1CSCC[NH2+]1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000583747574 564905997 /nfs/dbraw/zinc/90/59/97/564905997.db2.gz IABNPTKQZAPYLD-GOSISDBHSA-N 2 0 381.973 2.860 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000531357970 564907583 /nfs/dbraw/zinc/90/75/83/564907583.db2.gz XKAKFZUQAHMMCX-IRXDYDNUSA-N 2 0 382.346 2.504 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(Br)c1 ZINC000533576794 564966652 /nfs/dbraw/zinc/96/66/52/564966652.db2.gz ISLAEXFJPJJVTF-UHFFFAOYSA-N 2 0 376.726 2.668 20 0 GFADRP Cc1c(Br)cncc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000657312709 565095911 /nfs/dbraw/zinc/09/59/11/565095911.db2.gz APSJIJTWXGTCRJ-UHFFFAOYSA-N 2 0 390.329 2.589 20 0 GFADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657870733 565135268 /nfs/dbraw/zinc/13/52/68/565135268.db2.gz FFXCDGRJLHEWMC-SJLPKXTDSA-N 2 0 396.373 2.947 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000638635889 565205951 /nfs/dbraw/zinc/20/59/51/565205951.db2.gz WHDJXISZILUMJG-MRXNPFEDSA-N 2 0 396.373 2.853 20 0 GFADRP COc1nsc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000638681983 565206888 /nfs/dbraw/zinc/20/68/88/565206888.db2.gz QTDHOKKUMRBTPZ-VXGBXAGGSA-N 2 0 392.363 2.893 20 0 GFADRP C[NH2+]C[C@H](C)NC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000659636933 565221547 /nfs/dbraw/zinc/22/15/47/565221547.db2.gz YMZBJBPYNORQHH-AWEZNQCLSA-N 2 0 397.361 2.663 20 0 GFADRP NC(=O)[C@@H](c1cccc(Br)c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639706321 565255924 /nfs/dbraw/zinc/25/59/24/565255924.db2.gz XVEJZQJHFXQHHS-QGZVFWFLSA-N 2 0 389.297 2.583 20 0 GFADRP O=C(c1sc2c(c1Br)CNC2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000662337734 565361827 /nfs/dbraw/zinc/36/18/27/565361827.db2.gz DXGJRFLSOSLNBM-LBPRGKRZSA-N 2 0 384.343 2.718 20 0 GFADRP C[NH+](C)CCOc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1Cl ZINC000662695288 565382360 /nfs/dbraw/zinc/38/23/60/565382360.db2.gz YUJIFCJYVNLFQP-HNNXBMFYSA-N 2 0 379.810 2.761 20 0 GFADRP Cc1c([C@H](C)[NH2+]CC2CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000643497869 565434535 /nfs/dbraw/zinc/43/45/35/565434535.db2.gz STPXJAWSUKIQTE-LBPRGKRZSA-N 2 0 378.318 2.988 20 0 GFADRP Cc1cc(Br)cc(C[N@H+](C)CCN2CC[NH2+]CC2)c1OC(F)F ZINC000647492929 565661786 /nfs/dbraw/zinc/66/17/86/565661786.db2.gz JBXDFSVQLAOETR-UHFFFAOYSA-N 2 0 392.288 2.696 20 0 GFADRP O=C(NCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000647788856 565675719 /nfs/dbraw/zinc/67/57/19/565675719.db2.gz SUYFMKPGULGHSX-YQQAZPJKSA-N 2 0 380.330 2.547 20 0 GFADRP CS(=O)(=O)c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(C(F)(F)F)c1 ZINC000647796581 565676629 /nfs/dbraw/zinc/67/66/29/565676629.db2.gz FPTOIYZOMCLDMA-GZBFAFLISA-N 2 0 376.444 2.587 20 0 GFADRP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1cc(Br)ccc1F ZINC000647798112 565676916 /nfs/dbraw/zinc/67/69/16/565676916.db2.gz LMGKXJRLKDRHHC-TZDHZFECSA-N 2 0 385.321 2.717 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000647798261 565677110 /nfs/dbraw/zinc/67/71/10/565677110.db2.gz OPDLBOUOIHIYBY-YLFCFFPRSA-N 2 0 397.357 2.586 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc4c(c(Br)c3)OCO4)C2)C1 ZINC000650705666 565832873 /nfs/dbraw/zinc/83/28/73/565832873.db2.gz PNTHWDYUORVKIX-FMKPAKJESA-N 2 0 397.313 2.896 20 0 GFADRP COc1cc(C[NH2+]CCCC[NH+]2CCOCC2)c(F)cc1Br ZINC000631042846 565935036 /nfs/dbraw/zinc/93/50/36/565935036.db2.gz NENXPZWBFJFGDM-UHFFFAOYSA-N 2 0 375.282 2.799 20 0 GFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ncc(Br)cc1Cl ZINC000631067658 565937175 /nfs/dbraw/zinc/93/71/75/565937175.db2.gz DTAUHLAXGRRYQW-CYBMUJFWSA-N 2 0 376.726 2.824 20 0 GFADRP Fc1ccc(-c2nn[nH]n2)cc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000822761311 599459191 /nfs/dbraw/zinc/45/91/91/599459191.db2.gz HTUASLWMXDWXPR-UHFFFAOYSA-N 2 0 396.470 2.770 20 0 GFADRP c1cc(OCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc(-c2nn[nH]n2)c1 ZINC000826517469 607750675 /nfs/dbraw/zinc/75/06/75/607750675.db2.gz DGGQQVNWBHDOMU-UHFFFAOYSA-N 2 0 384.528 2.834 20 0 GFADRP c1sc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000823786646 606212697 /nfs/dbraw/zinc/21/26/97/606212697.db2.gz ABAKIWRIKQINLC-UHFFFAOYSA-N 2 0 397.552 2.620 20 0 GFADRP c1sc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1-c1nn[nH]n1 ZINC000823762175 606218931 /nfs/dbraw/zinc/21/89/31/606218931.db2.gz LLLATRPKBMLBPL-UHFFFAOYSA-N 2 0 384.509 2.693 20 0 GFADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000821795076 606414760 /nfs/dbraw/zinc/41/47/60/606414760.db2.gz SXRANRRETJGOGL-UHFFFAOYSA-N 2 0 398.536 2.939 20 0 GFADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820411256 607209381 /nfs/dbraw/zinc/20/93/81/607209381.db2.gz HNLLSXIPMJKOGL-UWJYYQICSA-N 2 0 391.523 2.506 20 0 GFADRP c1cc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cc(-c2nn[nH]n2)c1 ZINC000826516371 608429913 /nfs/dbraw/zinc/42/99/13/608429913.db2.gz IDLHPQGSFAWRCD-UHFFFAOYSA-N 2 0 392.507 2.674 20 0 GFADRP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000824763250 609142169 /nfs/dbraw/zinc/14/21/69/609142169.db2.gz LZIXGRSHYWMYAJ-KRWDZBQOSA-N 2 0 384.528 2.752 20 0 GFADRP Brc1ccc2c(c1)C=C(C[NH2+]CCCC[NH+]1CCOCC1)CO2 ZINC000102422756 655055036 /nfs/dbraw/zinc/05/50/36/655055036.db2.gz DGALZIHXROVCJW-UHFFFAOYSA-N 2 0 381.314 2.927 20 0 GFADRP C[N@H+](CC1CC[NH+](C)CC1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000105604703 655095879 /nfs/dbraw/zinc/09/58/79/655095879.db2.gz RHBXCLRYARLCDY-UHFFFAOYSA-N 2 0 378.314 2.995 20 0 GFADRP O[C@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000726070834 655531266 /nfs/dbraw/zinc/53/12/66/655531266.db2.gz PZGXIRBTXRSQFP-LJQANCHMSA-N 2 0 397.357 2.917 20 0 GFADRP OC1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000840885579 661198556 /nfs/dbraw/zinc/19/85/56/661198556.db2.gz ZLFMRYJSVHGIFV-GUDVDZBRSA-N 2 0 378.607 2.983 20 0 GFADRP NC1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000841104398 661232759 /nfs/dbraw/zinc/23/27/59/661232759.db2.gz QEMMSMKCXMRFSQ-GUDVDZBRSA-N 2 0 377.623 2.949 20 0 GFADRP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(Br)nc1)C(=O)NCC[NH+](C)C ZINC000810232616 659967469 /nfs/dbraw/zinc/96/74/69/659967469.db2.gz KBQPCLRIRVMJAH-ZFWWWQNUSA-N 2 0 385.350 2.587 20 0 GFADRP Cc1cc([C@H]([NH3+])CC(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc(Cl)n1 ZINC000841857732 661316776 /nfs/dbraw/zinc/31/67/76/661316776.db2.gz WNBYXPYPPKAHHL-CYBMUJFWSA-N 2 0 379.917 2.996 20 0 GFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(Br)cnc1Cl ZINC000842678286 661348577 /nfs/dbraw/zinc/34/85/77/661348577.db2.gz CIKYJHHVHKUWPX-CQSZACIVSA-N 2 0 376.726 2.824 20 0 GFADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363598 661378655 /nfs/dbraw/zinc/37/86/55/661378655.db2.gz BARDERMQKIGFRP-HNNXBMFYSA-N 2 0 394.357 2.872 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1snc(Cl)c1Cl ZINC000845375230 661468053 /nfs/dbraw/zinc/46/80/53/661468053.db2.gz HCHTZDNEJLVUIL-NSHDSACASA-N 2 0 379.357 2.938 20 0 GFADRP CCOP(=O)(CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)OCC ZINC000876781571 662866310 /nfs/dbraw/zinc/86/63/10/662866310.db2.gz IBKZSSXYDSFCSM-MSOLQXFVSA-N 2 0 375.494 2.600 20 0 GFADRP C[NH+](C)CCN1CCC([NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000876925638 662868256 /nfs/dbraw/zinc/86/82/56/662868256.db2.gz AHAFYJZJNDFFIW-UHFFFAOYSA-N 2 0 375.742 2.613 20 0 GFADRP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1Br ZINC000877041135 662870038 /nfs/dbraw/zinc/87/00/38/662870038.db2.gz IOYKKOJMUGUMTO-HNNXBMFYSA-N 2 0 399.329 2.562 20 0 GFADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000877147270 662871725 /nfs/dbraw/zinc/87/17/25/662871725.db2.gz SZBCCYOGQFJFOW-INIZCTEOSA-N 2 0 380.330 2.926 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccccc2Br)C[C@H]1C[NH+](C)C ZINC000877896721 662885488 /nfs/dbraw/zinc/88/54/88/662885488.db2.gz JOHJBJZDONSEBI-ZIAGYGMSSA-N 2 0 383.334 2.652 20 0 GFADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cccc(Br)c1 ZINC000877993843 662887729 /nfs/dbraw/zinc/88/77/29/662887729.db2.gz CZAXOTIVBDFEMX-UHFFFAOYSA-N 2 0 382.346 2.870 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000884224585 663067208 /nfs/dbraw/zinc/06/72/08/663067208.db2.gz SPFWEIJQCBJICK-SJORKVTESA-N 2 0 380.330 2.926 20 0 GFADRP COc1ccc(Br)cc1C1([NH2+]C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903764452 663806137 /nfs/dbraw/zinc/80/61/37/663806137.db2.gz RXLWFLHJMWDXMD-RHSMWYFYSA-N 2 0 381.314 2.805 20 0 GFADRP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@H]1C[NH3+] ZINC000904410963 663833061 /nfs/dbraw/zinc/83/30/61/663833061.db2.gz RXWDDUAXUDHJNX-CABCVRRESA-N 2 0 382.346 2.702 20 0 GFADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)C1 ZINC000911819393 664257206 /nfs/dbraw/zinc/25/72/06/664257206.db2.gz ALSLURFMRASFGQ-LSDHHAIUSA-N 2 0 394.357 2.656 20 0 GFADRP Cn1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c(I)n1 ZINC000922845035 664616276 /nfs/dbraw/zinc/61/62/76/664616276.db2.gz AKQJBCLJXYGRIU-UHFFFAOYSA-N 2 0 388.297 2.521 20 0 GFADRP O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923280301 664627311 /nfs/dbraw/zinc/62/73/11/664627311.db2.gz GROFXVHPFSEOHQ-MRXNPFEDSA-N 2 0 387.293 2.544 20 0 GFADRP CC[NH2+]CC1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000923295589 664627782 /nfs/dbraw/zinc/62/77/82/664627782.db2.gz ZBZIJZVPPAOFTB-MRXNPFEDSA-N 2 0 389.309 2.649 20 0 GFADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923355229 664628904 /nfs/dbraw/zinc/62/89/04/664628904.db2.gz HZHAAJYEXVYYPN-SWLSCSKDSA-N 2 0 377.710 2.513 20 0 GFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923384431 664629285 /nfs/dbraw/zinc/62/92/85/664629285.db2.gz XKZPEBFQWNHNEY-MRVWCRGKSA-N 2 0 377.710 2.702 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC12CC[NH2+]CC2 ZINC000925856842 664676222 /nfs/dbraw/zinc/67/62/22/664676222.db2.gz XQVAUURJXRNDJM-ABAIWWIYSA-N 2 0 397.288 2.850 20 0 GFADRP O=C1CC[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)[C@H](C2CC[NH2+]CC2)N1 ZINC000580289881 677674103 /nfs/dbraw/zinc/67/41/03/677674103.db2.gz IMDRDIFVTBXKMC-PBHICJAKSA-N 2 0 376.551 2.608 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4C(=O)Nc5ccccc5[C@H]4C3)c2)CC1 ZINC001164403999 718858941 /nfs/dbraw/zinc/85/89/41/718858941.db2.gz OCTUFZSWZXTBRS-MOPGFXCFSA-N 2 0 378.476 2.727 20 0 GFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164815216 720198108 /nfs/dbraw/zinc/19/81/08/720198108.db2.gz XDQHSKWZBPZHGI-FYYLOGMGSA-N 2 0 384.568 2.862 20 0 GFADRP Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)O2)n1 ZINC001164830566 720409836 /nfs/dbraw/zinc/40/98/36/720409836.db2.gz SDQNPETVQJVRHK-OTWHNJEPSA-N 2 0 399.495 2.745 20 0 GFADRP c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001164726346 720421035 /nfs/dbraw/zinc/42/10/35/720421035.db2.gz BNKMXEGDBXZXRE-SFTDATJTSA-N 2 0 393.535 2.804 20 0 GFADRP CC(C)C(=O)N1CCC[C@@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001165008776 721727284 /nfs/dbraw/zinc/72/72/84/721727284.db2.gz QJIIFPKCJVLTML-QFIPXVFZSA-N 2 0 386.540 2.782 20 0 GFADRP C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000156427397 551522271 /nfs/dbraw/zinc/52/22/71/551522271.db2.gz CMKKVXBZXRGDBR-AWEZNQCLSA-N 2 0 382.346 2.889 20 0 GFADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158734687 551556029 /nfs/dbraw/zinc/55/60/29/551556029.db2.gz IVXANFYHJZGCJF-OAHLLOKOSA-N 2 0 398.345 2.868 20 0 GFADRP CC[NH+]1CCN([C@@H]2CCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000174546306 552106312 /nfs/dbraw/zinc/10/63/12/552106312.db2.gz DMMGJJUBFCKLBC-OAHLLOKOSA-N 2 0 385.339 2.644 20 0 GFADRP C[C@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000261681599 553155959 /nfs/dbraw/zinc/15/59/59/553155959.db2.gz GXLBBXJSZZXFIG-KDOFPFPSSA-N 2 0 382.346 2.860 20 0 GFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261761715 553158671 /nfs/dbraw/zinc/15/86/71/553158671.db2.gz JTQUTVIRKPFEKW-KXBFYZLASA-N 2 0 394.357 2.813 20 0 GFADRP C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418416656 563217294 /nfs/dbraw/zinc/21/72/94/563217294.db2.gz RLVUOAOSBQBIJC-UHFFFAOYSA-N 2 0 397.361 2.792 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]CCNc2ncc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000422793051 563350085 /nfs/dbraw/zinc/35/00/85/563350085.db2.gz XPXBHCFBDRFFML-LBPRGKRZSA-N 2 0 389.327 2.711 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(Br)ccc2OC)CC[NH2+]CC1 ZINC000422951166 563351553 /nfs/dbraw/zinc/35/15/53/563351553.db2.gz ZREBNKUFVREVKB-CYBMUJFWSA-N 2 0 399.329 2.869 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000423092412 563354585 /nfs/dbraw/zinc/35/45/85/563354585.db2.gz BUNAWZBJINFJTA-QWHCGFSZSA-N 2 0 384.318 2.816 20 0 GFADRP O=S(=O)(NCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423096404 563355556 /nfs/dbraw/zinc/35/55/56/563355556.db2.gz HQZIVWKBOPIACX-UAGQMJEPSA-N 2 0 385.961 2.519 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423196513 563358574 /nfs/dbraw/zinc/35/85/74/563358574.db2.gz ZWTBVSDFOQNNPG-GDIGMMSISA-N 2 0 396.373 2.755 20 0 GFADRP FC(F)(F)[C@H](C[NH2+][C@H]1CCCOc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423390944 563360346 /nfs/dbraw/zinc/36/03/46/563360346.db2.gz OWAYESDRJLOCEE-HOCLYGCPSA-N 2 0 377.838 2.979 20 0 GFADRP CC[C@H](C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000413842242 563707255 /nfs/dbraw/zinc/70/72/55/563707255.db2.gz HSQFQDLEKTUDLE-CZUORRHYSA-N 2 0 397.361 2.868 20 0 GFADRP Cc1cc(Br)ccc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414478619 563743528 /nfs/dbraw/zinc/74/35/28/563743528.db2.gz FKHPFBHHYQIMCW-UHFFFAOYSA-N 2 0 396.373 2.644 20 0 GFADRP C[C@H]1c2cccc(Br)c2CC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414741786 563752091 /nfs/dbraw/zinc/75/20/91/563752091.db2.gz FSFFAFCOJNMEHJ-KBPBESRZSA-N 2 0 380.330 2.566 20 0 GFADRP Brc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(N2CCOCC2)c1 ZINC000414965669 563755522 /nfs/dbraw/zinc/75/55/22/563755522.db2.gz NQHRRPSXOMQKMG-QGZVFWFLSA-N 2 0 382.346 2.908 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000414940805 563755584 /nfs/dbraw/zinc/75/55/84/563755584.db2.gz KLYPZAPAFHADOH-KDOFPFPSSA-N 2 0 394.357 2.950 20 0 GFADRP COCC1(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000414981847 563756158 /nfs/dbraw/zinc/75/61/58/563756158.db2.gz XOHCVYWFLFJDIC-CQSZACIVSA-N 2 0 398.345 2.772 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+]Cc1cnc(-c2ccsc2)s1)N1CC[NH2+]CC1 ZINC000414993852 563756322 /nfs/dbraw/zinc/75/63/22/563756322.db2.gz UODJGOIFJUZWOF-CYBMUJFWSA-N 2 0 376.473 2.797 20 0 GFADRP CSc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[NH+](C)C)cc1 ZINC000416038790 563803927 /nfs/dbraw/zinc/80/39/27/563803927.db2.gz FKLXBAHRCRFXGK-KGLIPLIRSA-N 2 0 378.464 2.590 20 0 GFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cccc(I)c3)C2)CC1 ZINC000367400060 563843169 /nfs/dbraw/zinc/84/31/69/563843169.db2.gz SFJZTXLNGXBUHS-MRXNPFEDSA-N 2 0 399.320 2.549 20 0 GFADRP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000563305961 564185449 /nfs/dbraw/zinc/18/54/49/564185449.db2.gz HZPJHIHATQCBFQ-HSMVNMDESA-N 2 0 378.460 2.927 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000449604690 564192078 /nfs/dbraw/zinc/19/20/78/564192078.db2.gz XYCMIYLPPJTABC-YESZJQIVSA-N 2 0 397.357 2.825 20 0 GFADRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000564826284 564250433 /nfs/dbraw/zinc/25/04/33/564250433.db2.gz KIGXXXRHNVLROT-BBWFWOEESA-N 2 0 380.330 2.689 20 0 GFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000567375589 564369315 /nfs/dbraw/zinc/36/93/15/564369315.db2.gz UDJLWQYCRVPRAS-ONENECBXSA-N 2 0 392.352 2.680 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2ccc(Br)cc2)CC1 ZINC000451990727 564376697 /nfs/dbraw/zinc/37/66/97/564376697.db2.gz RXZKBCWCNPSYDN-UHFFFAOYSA-N 2 0 384.362 2.834 20 0 GFADRP C[C@H](C[NH2+][C@H](Cc1ccccc1Br)C1CC1)N1CC[NH+](C)CC1 ZINC000453089364 564445406 /nfs/dbraw/zinc/44/54/06/564445406.db2.gz AXWDVVQNXJNUBM-DNVCBOLYSA-N 2 0 380.374 2.996 20 0 GFADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232109 564454575 /nfs/dbraw/zinc/45/45/75/564454575.db2.gz JYELKKIIMJZPIL-HOCLYGCPSA-N 2 0 391.339 2.824 20 0 GFADRP C[C@H](C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C[NH+]1CCCC1 ZINC000569715486 564475367 /nfs/dbraw/zinc/47/53/67/564475367.db2.gz MDAMQJJPXNFRFU-CZUORRHYSA-N 2 0 389.309 2.649 20 0 GFADRP C[C@H](C[NH2+]Cc1ccc(Br)c(F)c1F)CN1CC[NH+](C)CC1 ZINC000527651590 564753333 /nfs/dbraw/zinc/75/33/33/564753333.db2.gz FUDSXAZIWLKTTF-GFCCVEGCSA-N 2 0 376.289 2.700 20 0 GFADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463425137 564880288 /nfs/dbraw/zinc/88/02/88/564880288.db2.gz SAFPBIYZPJRALO-UHFFFAOYSA-N 2 0 396.373 2.912 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1SCCc2sccc21 ZINC000463627261 564885165 /nfs/dbraw/zinc/88/51/65/564885165.db2.gz JGDAMDVTAQSPNH-MAUKXSAKSA-N 2 0 381.611 2.953 20 0 GFADRP CS(=O)(=O)c1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000657613948 565112592 /nfs/dbraw/zinc/11/25/92/565112592.db2.gz YFYBICHYMVPICF-UHFFFAOYSA-N 2 0 379.551 2.548 20 0 GFADRP C[C@@]([NH3+])(C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccc(Br)cc1 ZINC000638669139 565206858 /nfs/dbraw/zinc/20/68/58/565206858.db2.gz ZUQPYOPLESQUQO-SFHVURJKSA-N 2 0 390.281 2.744 20 0 GFADRP Ic1ccccc1OC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000592476289 565279007 /nfs/dbraw/zinc/27/90/07/565279007.db2.gz ODMRHYABBLNHSQ-CYBMUJFWSA-N 2 0 386.277 2.744 20 0 GFADRP Cc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)ncc1Br ZINC000623387162 565506916 /nfs/dbraw/zinc/50/69/16/565506916.db2.gz NCHSIHRDAIZLII-UHFFFAOYSA-N 2 0 381.362 2.801 20 0 GFADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)CC[C@H]21 ZINC000646249005 565591695 /nfs/dbraw/zinc/59/16/95/565591695.db2.gz BFEFFCAOOQGAOQ-MZMPZRCHSA-N 2 0 380.330 2.566 20 0 GFADRP Brc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(N2CCOCC2)c1 ZINC000647793022 565676861 /nfs/dbraw/zinc/67/68/61/565676861.db2.gz IALONGHUFFIYNV-UWWQBHOKSA-N 2 0 394.357 2.763 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000627219864 565726736 /nfs/dbraw/zinc/72/67/36/565726736.db2.gz FEISHSTYBHCUDD-KFWWJZLASA-N 2 0 377.291 2.677 20 0 GFADRP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000671300556 565761160 /nfs/dbraw/zinc/76/11/60/565761160.db2.gz BQNORDWKFPSCQF-GFCCVEGCSA-N 2 0 378.460 2.929 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@H]21 ZINC000629519368 565858148 /nfs/dbraw/zinc/85/81/48/565858148.db2.gz PWSPYQSLGHODSO-DNNBLBMLSA-N 2 0 378.314 2.762 20 0 GFADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000653214542 565959673 /nfs/dbraw/zinc/95/96/73/565959673.db2.gz ZPOSIJYEHPNMHK-SFHVURJKSA-N 2 0 376.298 2.659 20 0 GFADRP Brc1cccc2c1C[C@@H]1[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)[C@H]21 ZINC000635003220 566187927 /nfs/dbraw/zinc/18/79/27/566187927.db2.gz HCWWWVTWEVVBPI-XOCCCFSASA-N 2 0 377.326 2.834 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH+](C)CC1 ZINC000683695752 566210728 /nfs/dbraw/zinc/21/07/28/566210728.db2.gz NBVXTLAMUCNKQW-SUMWQHHRSA-N 2 0 380.330 2.874 20 0 GFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000821189599 606409693 /nfs/dbraw/zinc/40/96/93/606409693.db2.gz PWKUCWIUMGQJPD-UHFFFAOYSA-N 2 0 386.525 2.939 20 0 GFADRP c1sc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cc1-c1nn[nH]n1 ZINC000826517918 608430125 /nfs/dbraw/zinc/43/01/25/608430125.db2.gz UFMNAAQBEZVJLZ-UHFFFAOYSA-N 2 0 398.536 2.735 20 0 GFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826506964 608523827 /nfs/dbraw/zinc/52/38/27/608523827.db2.gz GFNHZDYFEWERDT-QHAWAJNXSA-N 2 0 396.539 2.602 20 0 GFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577524 609150963 /nfs/dbraw/zinc/15/09/63/609150963.db2.gz MCKGFJVGUDGRLJ-CQSZACIVSA-N 2 0 381.459 2.968 20 0 GFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824619668 609327769 /nfs/dbraw/zinc/32/77/69/609327769.db2.gz YKMQSNAMHJBXRQ-CQSZACIVSA-N 2 0 384.459 2.797 20 0 GFADRP CN1CC[NH+](CCCC[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817575306 660201195 /nfs/dbraw/zinc/20/11/95/660201195.db2.gz HDTIMQMTERMSNE-OAHLLOKOSA-N 2 0 387.391 2.974 20 0 GFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2c(I)cnn2C)C1 ZINC000894181171 663446958 /nfs/dbraw/zinc/44/69/58/663446958.db2.gz WQZNYRAJPIVWSI-ZDUSSCGKSA-N 2 0 390.313 2.626 20 0 GFADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000125933968 654805638 /nfs/dbraw/zinc/80/56/38/654805638.db2.gz LYUWINCMZYXGEX-HNNXBMFYSA-N 2 0 398.345 2.868 20 0 GFADRP Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(Cl)c1 ZINC000066607819 654909405 /nfs/dbraw/zinc/90/94/05/654909405.db2.gz MEFCHCMDKNQKIJ-UHFFFAOYSA-N 2 0 375.966 2.543 20 0 GFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000274672967 655196674 /nfs/dbraw/zinc/19/66/74/655196674.db2.gz YJBNTRBYWPKNTJ-BEFAXECRSA-N 2 0 380.374 2.922 20 0 GFADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1Br ZINC000120787580 655344119 /nfs/dbraw/zinc/34/41/19/655344119.db2.gz KRQSELVRXLSIIB-GJZGRUSLSA-N 2 0 384.362 2.992 20 0 GFADRP C[N@@H+]1CCC[C@@H]1C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000575916087 655439863 /nfs/dbraw/zinc/43/98/63/655439863.db2.gz OYROIMPZTXKVBV-GOSISDBHSA-N 2 0 394.357 2.966 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261674465 655441750 /nfs/dbraw/zinc/44/17/50/655441750.db2.gz MANBNTYRMXWPGR-SFHVURJKSA-N 2 0 394.357 2.872 20 0 GFADRP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[NH+]1CC(C)C1 ZINC000578904406 655488908 /nfs/dbraw/zinc/48/89/08/655488908.db2.gz LLILBRQNSQVUPM-HNNXBMFYSA-N 2 0 382.346 2.680 20 0 GFADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cncc(Br)c1 ZINC000579130956 655494630 /nfs/dbraw/zinc/49/46/30/655494630.db2.gz WLMYIJCKOFDRGQ-AWEZNQCLSA-N 2 0 390.329 2.842 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000840830081 661193945 /nfs/dbraw/zinc/19/39/45/661193945.db2.gz BZCNQSBKLUEZAQ-HNNXBMFYSA-N 2 0 380.524 2.694 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1nc2ccc(Br)cc2s1 ZINC000809740723 659937800 /nfs/dbraw/zinc/93/78/00/659937800.db2.gz BNQGGZGXXZYYIV-UHFFFAOYSA-N 2 0 385.375 2.984 20 0 GFADRP [NH3+][C@@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cccc(Br)c1 ZINC000867986142 662590609 /nfs/dbraw/zinc/59/06/09/662590609.db2.gz XXMKDFVLBUBRNV-IAGOWNOFSA-N 2 0 390.281 2.749 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@H]1C[NH+](C)C ZINC000870024505 662671620 /nfs/dbraw/zinc/67/16/20/662671620.db2.gz QPJFMGLWOUNWQG-IAGOWNOFSA-N 2 0 396.373 2.580 20 0 GFADRP [NH3+][C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000870910276 662707889 /nfs/dbraw/zinc/70/78/89/662707889.db2.gz NCKPZXDVVGCEGL-WBAXXEDZSA-N 2 0 392.341 2.924 20 0 GFADRP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000884422560 663070444 /nfs/dbraw/zinc/07/04/44/663070444.db2.gz ZUVCCCMQUOBCKW-RHSMWYFYSA-N 2 0 380.330 2.687 20 0 GFADRP [NH3+][C@H](CCNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)Cc1ccccc1 ZINC000884456971 663071069 /nfs/dbraw/zinc/07/10/69/663071069.db2.gz RYOHWRYOPNDOEP-SJORKVTESA-N 2 0 376.298 2.525 20 0 GFADRP C[C@@]1(Br)C[C@H]1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000893354366 663408110 /nfs/dbraw/zinc/40/81/10/663408110.db2.gz JUOUHVWDKYZLFP-PKOBYXMFSA-N 2 0 394.357 2.775 20 0 GFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cn(C)nc1I ZINC000894384721 663459305 /nfs/dbraw/zinc/45/93/05/663459305.db2.gz PMKOPFLKPYSIMS-LBPRGKRZSA-N 2 0 378.302 2.625 20 0 GFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2C[C@@]2(C)Br)CC1 ZINC000894451167 663462323 /nfs/dbraw/zinc/46/23/23/663462323.db2.gz DHICWUUHMSLRIP-SJLPKXTDSA-N 2 0 388.394 2.720 20 0 GFADRP CN1CC[NH+](CC2CC[NH+](Cc3cnc(CC(F)(F)F)s3)CC2)CC1 ZINC000894457947 663462900 /nfs/dbraw/zinc/46/29/00/663462900.db2.gz JUHJHBLIWYOSHC-UHFFFAOYSA-N 2 0 376.492 2.707 20 0 GFADRP C[C@]1(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CCC[NH2+]C1 ZINC000904337179 663830778 /nfs/dbraw/zinc/83/07/78/663830778.db2.gz PXOWKJGPRVELKC-SFHVURJKSA-N 2 0 395.345 2.884 20 0 GFADRP CC[NH2+]CC1CCN(C(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)CC1 ZINC000911864883 664259587 /nfs/dbraw/zinc/25/95/87/664259587.db2.gz UBCNTYMQRBKEDZ-KRWDZBQOSA-N 2 0 382.346 2.557 20 0 GFADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncc(Br)c3)C2)[C@@H]1C(C)C ZINC000922395159 664599406 /nfs/dbraw/zinc/59/94/06/664599406.db2.gz UJHGHYZWIVMYOW-ZJPYXAASSA-N 2 0 382.346 2.804 20 0 GFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000922506441 664604822 /nfs/dbraw/zinc/60/48/22/664604822.db2.gz ZZYICUVJCWYHIC-UHFFFAOYSA-N 2 0 385.961 2.874 20 0 GFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Cl)cc3Br)C[C@H]12 ZINC000923331691 664628456 /nfs/dbraw/zinc/62/84/56/664628456.db2.gz HUZWSMITTBBVTI-IKVITTDRSA-N 2 0 389.721 2.511 20 0 GFADRP COC(=O)c1cc(Br)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000923358456 664628902 /nfs/dbraw/zinc/62/89/02/664628902.db2.gz HGSGPTBMIFMEOC-UHFFFAOYSA-N 2 0 397.313 2.820 20 0 GFADRP Brc1cccc(OC2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)c1 ZINC000923373540 664629185 /nfs/dbraw/zinc/62/91/85/664629185.db2.gz OMZYZJKHONHOQO-QGZVFWFLSA-N 2 0 381.314 2.671 20 0 GFADRP O=C1O[C@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC12CC[NH2+]CC2 ZINC000925851529 664675869 /nfs/dbraw/zinc/67/58/69/664675869.db2.gz FYNNAZGGBCFNTO-BLLLJJGKSA-N 2 0 397.288 2.850 20 0 GFADRP O=C1O[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC12CC[NH2+]CC2 ZINC000925854208 664676192 /nfs/dbraw/zinc/67/61/92/664676192.db2.gz LOOVRJBBJDCEJO-IRXDYDNUSA-N 2 0 393.325 2.581 20 0 GFADRP COc1cc2cc[nH+]c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2cc1OC ZINC001164726614 720516513 /nfs/dbraw/zinc/51/65/13/720516513.db2.gz CAUUCNDJEQPEDE-HNNXBMFYSA-N 2 0 381.480 2.647 20 0 GFADRP COC[C@]12CCCO[C@H]1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164849849 720828725 /nfs/dbraw/zinc/82/87/25/720828725.db2.gz RFGAEFPNLGLAAD-PZJWPPBQSA-N 2 0 375.513 2.577 20 0 GFADRP Cc1[nH+]c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc2[nH]ccc21 ZINC001164889543 721429599 /nfs/dbraw/zinc/42/95/99/721429599.db2.gz BMGYMCLOYRVAKP-XMSQKQJNSA-N 2 0 383.540 2.637 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164980456 722124235 /nfs/dbraw/zinc/12/42/35/722124235.db2.gz RFBIYJFBUUSJHX-NQIIRXRSSA-N 2 0 377.492 2.994 20 0 GFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000359870553 209196839 /nfs/dbraw/zinc/19/68/39/209196839.db2.gz IYMNXGOFLDVXJM-BFYDXBDKSA-N 2 0 387.446 2.958 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@H](C)C1 ZINC000152679763 551438207 /nfs/dbraw/zinc/43/82/07/551438207.db2.gz HVUIGYVOSBEYTL-PBHICJAKSA-N 2 0 382.346 2.889 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(F)c(Br)c1 ZINC000173388588 552085311 /nfs/dbraw/zinc/08/53/11/552085311.db2.gz BNWKYGFULZXWPX-UHFFFAOYSA-N 2 0 388.325 2.934 20 0 GFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](CO)c2cccc(Br)c2)CC1 ZINC000191604068 552532994 /nfs/dbraw/zinc/53/29/94/552532994.db2.gz FDJKTEJOHXYRRX-LJQANCHMSA-N 2 0 398.389 2.830 20 0 GFADRP C(CC[NH+]1CCS[C@@H]2COCC[C@H]21)CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000246777785 553112444 /nfs/dbraw/zinc/11/24/44/553112444.db2.gz IIFJSZLWZLEWHD-FCGDIQPGSA-N 2 0 386.627 2.569 20 0 GFADRP C[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000261745095 553158117 /nfs/dbraw/zinc/15/81/17/553158117.db2.gz MDGLQRZAJFLXDT-QWQRMKEZSA-N 2 0 382.346 2.860 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000261757128 553158692 /nfs/dbraw/zinc/15/86/92/553158692.db2.gz NDJYPMOGINOCBZ-SJLPKXTDSA-N 2 0 380.330 2.710 20 0 GFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261779383 553159325 /nfs/dbraw/zinc/15/93/25/553159325.db2.gz PEOMBYGGPVUUSX-GOSISDBHSA-N 2 0 382.346 2.954 20 0 GFADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418569275 563220047 /nfs/dbraw/zinc/22/00/47/563220047.db2.gz HVAPTMZNZOKBLE-WMLDXEAASA-N 2 0 397.361 2.520 20 0 GFADRP Cc1cc(C[NH2+]Cc2cnc(N(C)C)n2C)ccc1I ZINC000419725711 563248392 /nfs/dbraw/zinc/24/83/92/563248392.db2.gz IXRYLZGNKABNLP-UHFFFAOYSA-N 2 0 384.265 2.689 20 0 GFADRP CN1CCC([NH+]2CCC(NC(=O)Nc3ccnc(Br)c3)CC2)CC1 ZINC000297592323 563330215 /nfs/dbraw/zinc/33/02/15/563330215.db2.gz ZFLUSRZTRUJGHX-UHFFFAOYSA-N 2 0 396.333 2.524 20 0 GFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422778146 563348825 /nfs/dbraw/zinc/34/88/25/563348825.db2.gz AFZPWPPVPOMAMT-NVXWUHKLSA-N 2 0 385.599 2.572 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(OC)c(Br)c2)CC[NH2+]CC1 ZINC000422875481 563349741 /nfs/dbraw/zinc/34/97/41/563349741.db2.gz CTBYWVBJYVKZAS-ZDUSSCGKSA-N 2 0 399.329 2.869 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900592 563349953 /nfs/dbraw/zinc/34/99/53/563349953.db2.gz QTZQCVTXBMYXKA-DACLVMHWSA-N 2 0 382.346 2.617 20 0 GFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422780338 563350183 /nfs/dbraw/zinc/35/01/83/563350183.db2.gz CYCMEEAJPYBCLU-IRXDYDNUSA-N 2 0 385.599 2.715 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423094715 563354861 /nfs/dbraw/zinc/35/48/61/563354861.db2.gz KPDMETVFBQHAGK-FZMZJTMJSA-N 2 0 399.251 2.845 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423116495 563356463 /nfs/dbraw/zinc/35/64/63/563356463.db2.gz QAOFJKVZGOWQRP-CHIMOYNISA-N 2 0 394.684 2.787 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423152030 563357195 /nfs/dbraw/zinc/35/71/95/563357195.db2.gz FEJVDCBSVXPVTK-UUCFBXCCSA-N 2 0 385.346 2.716 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CCc2cc(Br)ccc21)N1CC[NH2+]CC1 ZINC000423384548 563360476 /nfs/dbraw/zinc/36/04/76/563360476.db2.gz KATRZPRCDLJNDF-LSDHHAIUSA-N 2 0 392.263 2.862 20 0 GFADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCCOc2c(Cl)cccc21)N1CC[NH2+]CC1 ZINC000423394860 563360697 /nfs/dbraw/zinc/36/06/97/563360697.db2.gz SFNGIJHGGCKGKG-CABCVRRESA-N 2 0 377.838 2.979 20 0 GFADRP COc1cc2[nH+]ccc(NCC[N@@H+]3CCCOCC3)c2cc1Br ZINC000425251555 563414640 /nfs/dbraw/zinc/41/46/40/563414640.db2.gz FNZUSUXBESTJPU-UHFFFAOYSA-N 2 0 380.286 2.562 20 0 GFADRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccc(Br)cc1F ZINC000431016750 563551446 /nfs/dbraw/zinc/55/14/46/563551446.db2.gz KSDZGZDMEOIPRF-UHFFFAOYSA-N 2 0 384.293 2.992 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000433149599 563604602 /nfs/dbraw/zinc/60/46/02/563604602.db2.gz JNSUWBUGVZNWGQ-QGZVFWFLSA-N 2 0 380.330 2.756 20 0 GFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc4c(cc3Br)OCO4)CC2)C1 ZINC000333209911 563624193 /nfs/dbraw/zinc/62/41/93/563624193.db2.gz ZMHHGTVONACEBW-HOCLYGCPSA-N 2 0 397.313 2.896 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000414757173 563751709 /nfs/dbraw/zinc/75/17/09/563751709.db2.gz SASHIJBEORLQSN-DYVFJYSZSA-N 2 0 398.320 2.922 20 0 GFADRP CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414759391 563752985 /nfs/dbraw/zinc/75/29/85/563752985.db2.gz ODXTYNGIDJTODI-ZBFHGGJFSA-N 2 0 394.357 2.783 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000414827268 563753667 /nfs/dbraw/zinc/75/36/67/563753667.db2.gz KGEAXWLSPRMRGS-HNNXBMFYSA-N 2 0 394.357 2.951 20 0 GFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414970109 563755288 /nfs/dbraw/zinc/75/52/88/563755288.db2.gz JYCBZPLLYJSRTM-SWLSCSKDSA-N 2 0 394.279 2.806 20 0 GFADRP COCC1(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC[NH2+]CC1 ZINC000414953141 563755493 /nfs/dbraw/zinc/75/54/93/563755493.db2.gz AMTSPYSPEAJMAN-UHFFFAOYSA-N 2 0 399.329 2.716 20 0 GFADRP Brc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(N2CCOCC2)c1 ZINC000415002039 563756893 /nfs/dbraw/zinc/75/68/93/563756893.db2.gz DEOBTTFMPROATG-ZWKOTPCHSA-N 2 0 394.357 2.763 20 0 GFADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000415145978 563761311 /nfs/dbraw/zinc/76/13/11/563761311.db2.gz XUWPBNVXTSCNCB-UHFFFAOYSA-N 2 0 393.329 2.537 20 0 GFADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C[NH+](C)[C@@H]3CCSC3)C2)s1 ZINC000563266338 564183463 /nfs/dbraw/zinc/18/34/63/564183463.db2.gz NBUFXFWEKKCYNI-IAGOWNOFSA-N 2 0 381.611 2.774 20 0 GFADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C[NH3+])OC ZINC000565948873 564303273 /nfs/dbraw/zinc/30/32/73/564303273.db2.gz LCPJNBCYXBCKPJ-MRXNPFEDSA-N 2 0 376.328 2.638 20 0 GFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567674717 564382076 /nfs/dbraw/zinc/38/20/76/564382076.db2.gz YYTIOIFAAQWRRW-LLVKDONJSA-N 2 0 396.308 2.894 20 0 GFADRP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000569363995 564461249 /nfs/dbraw/zinc/46/12/49/564461249.db2.gz VHYZXJJEBOFSDK-RHSMWYFYSA-N 2 0 394.357 2.948 20 0 GFADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Br)s1 ZINC000548039656 564529273 /nfs/dbraw/zinc/52/92/73/564529273.db2.gz IXIJQFIRTZMRJF-LBPRGKRZSA-N 2 0 391.379 2.706 20 0 GFADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000548465249 564552766 /nfs/dbraw/zinc/55/27/66/564552766.db2.gz ISRSZEMEDYHBPM-UHFFFAOYSA-N 2 0 394.368 2.640 20 0 GFADRP O=C1CC[C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)[C@H](C2CC[NH2+]CC2)N1 ZINC000572374634 564592246 /nfs/dbraw/zinc/59/22/46/564592246.db2.gz KJJBVGUKLVTZJF-WBVHZDCISA-N 2 0 376.551 2.608 20 0 GFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(I)c2)CCCO1 ZINC000573227735 564629091 /nfs/dbraw/zinc/62/90/91/564629091.db2.gz VVKWYTXLEQNPLK-AWEZNQCLSA-N 2 0 388.293 2.882 20 0 GFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000574417290 564672863 /nfs/dbraw/zinc/67/28/63/564672863.db2.gz BHZUXGZOKDWPTR-NVXWUHKLSA-N 2 0 380.374 2.922 20 0 GFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOc3cccc(Br)c3)C2)CC1 ZINC000525779433 564708155 /nfs/dbraw/zinc/70/81/55/564708155.db2.gz JYEJUCACBJRMOQ-GOSISDBHSA-N 2 0 396.373 2.928 20 0 GFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527641695 564753433 /nfs/dbraw/zinc/75/34/33/564753433.db2.gz XKKHYBHRKUVTQI-LBPRGKRZSA-N 2 0 376.289 2.843 20 0 GFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527670529 564753973 /nfs/dbraw/zinc/75/39/73/564753973.db2.gz PJWQFWQIGWDVRL-UHFFFAOYSA-N 2 0 376.289 2.843 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cn2ccc(Br)cc2n1 ZINC000558570512 564906872 /nfs/dbraw/zinc/90/68/72/564906872.db2.gz FPZUDNGLQIOZKL-UHFFFAOYSA-N 2 0 396.377 2.802 20 0 GFADRP O=C1[C@H]([NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CCN1c1cccc(Br)c1 ZINC000584173056 564924411 /nfs/dbraw/zinc/92/44/11/564924411.db2.gz RGZMFIKXRZYVPF-CRAIPNDOSA-N 2 0 392.341 2.876 20 0 GFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1sccc1Br ZINC000531967887 564925842 /nfs/dbraw/zinc/92/58/42/564925842.db2.gz GSQTUMDDTCKKCH-AWEZNQCLSA-N 2 0 390.391 2.551 20 0 GFADRP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000469231180 565009736 /nfs/dbraw/zinc/00/97/36/565009736.db2.gz LIXSNPCXKNDEDR-CQSZACIVSA-N 2 0 382.551 2.943 20 0 GFADRP CC1(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC[NH2+]CC1 ZINC000562962719 565049393 /nfs/dbraw/zinc/04/93/93/565049393.db2.gz PWRVZLSEKARAJZ-AWEZNQCLSA-N 2 0 387.343 2.647 20 0 GFADRP C[C@]([NH3+])(C(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc(Br)cc1 ZINC000638845435 565214414 /nfs/dbraw/zinc/21/44/14/565214414.db2.gz PCJVRGRTFAYLNV-LJQANCHMSA-N 2 0 388.309 2.585 20 0 GFADRP O=C(c1sc2c(c1Br)CNC2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662336667 565361503 /nfs/dbraw/zinc/36/15/03/565361503.db2.gz HKFVBOQWNGOPJK-CMPLNLGQSA-N 2 0 384.343 2.718 20 0 GFADRP C[C@@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642793058 565417862 /nfs/dbraw/zinc/41/78/62/565417862.db2.gz BXRPFJQVWFGWSN-HIFRSBDPSA-N 2 0 385.961 2.730 20 0 GFADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)COc1cc(F)cc(Br)c1 ZINC000644524074 565480873 /nfs/dbraw/zinc/48/08/73/565480873.db2.gz PGFIUWILHGKPHV-OWCLPIDISA-N 2 0 387.293 2.544 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000627220107 565727015 /nfs/dbraw/zinc/72/70/15/565727015.db2.gz LWNVZXJSOSCARZ-ZLIFDBKOSA-N 2 0 385.339 2.990 20 0 GFADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)NCc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629563390 565859327 /nfs/dbraw/zinc/85/93/27/565859327.db2.gz DXUKPQKTJKWZNO-UONOGXRCSA-N 2 0 377.838 2.805 20 0 GFADRP COc1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c(F)cc1Br ZINC000631039390 565935744 /nfs/dbraw/zinc/93/57/44/565935744.db2.gz IDKRJGIBASRXKG-UHFFFAOYSA-N 2 0 388.325 2.712 20 0 GFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000824625449 609407673 /nfs/dbraw/zinc/40/76/73/609407673.db2.gz IHPLJSWPZXKOKD-IIBYNOLFSA-N 2 0 392.507 2.674 20 0 GFADRP COc1cc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1S(=O)(=O)C(F)F ZINC000817981387 660213022 /nfs/dbraw/zinc/21/30/22/660213022.db2.gz RWOPICDNINUPHM-TZMCWYRMSA-N 2 0 376.469 2.874 20 0 GFADRP C[C@@]1(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1(Cl)Cl ZINC000822900984 660357380 /nfs/dbraw/zinc/35/73/80/660357380.db2.gz TYFRXRJPMUDVQT-QGZVFWFLSA-N 2 0 385.339 2.684 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Br)c1 ZINC000129631981 654869333 /nfs/dbraw/zinc/86/93/33/654869333.db2.gz QACPDTLQEBWHQS-UHFFFAOYSA-N 2 0 376.726 2.668 20 0 GFADRP CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000271819918 655095815 /nfs/dbraw/zinc/09/58/15/655095815.db2.gz SALODDRAXFGWFF-WBVHZDCISA-N 2 0 387.615 2.709 20 0 GFADRP CC(C)[C@H](C[NH2+][C@H](C)c1cc(Br)ncc1F)N1CC[NH+](C)CC1 ZINC000273831748 655160235 /nfs/dbraw/zinc/16/02/35/655160235.db2.gz GDIPPXKCANPLBG-CJNGLKHVSA-N 2 0 387.341 2.906 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccnc1Br ZINC000120475626 655336806 /nfs/dbraw/zinc/33/68/06/655336806.db2.gz WCXBFUABWJOBEN-AWEZNQCLSA-N 2 0 398.349 2.724 20 0 GFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000578523325 655480927 /nfs/dbraw/zinc/48/09/27/655480927.db2.gz XPQBPDJWVXPHAD-DGCLKSJQSA-N 2 0 379.726 2.772 20 0 GFADRP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccccc1I ZINC000710724521 655522452 /nfs/dbraw/zinc/52/24/52/655522452.db2.gz NGBUKNQDXGOUPN-UHFFFAOYSA-N 2 0 389.281 2.681 20 0 GFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842667562 661348131 /nfs/dbraw/zinc/34/81/31/661348131.db2.gz AMLNDJGQYNDMGI-GFCCVEGCSA-N 2 0 375.742 2.613 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(Br)c1 ZINC000849098179 661691895 /nfs/dbraw/zinc/69/18/95/661691895.db2.gz FZQQOJDHJPVXSK-HIFRSBDPSA-N 2 0 383.334 2.815 20 0 GFADRP Cc1c(Br)scc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019719 662671336 /nfs/dbraw/zinc/67/13/36/662671336.db2.gz NOYHROPEUSNBDT-CHWSQXEVSA-N 2 0 388.375 2.630 20 0 GFADRP Cc1c(Br)csc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016373 662671389 /nfs/dbraw/zinc/67/13/89/662671389.db2.gz LXQRXOLMBXZQOY-CHWSQXEVSA-N 2 0 388.375 2.630 20 0 GFADRP COc1ccc(Br)cc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877668997 662881380 /nfs/dbraw/zinc/88/13/80/662881380.db2.gz SSHVAQIJBHDLMI-HZPDHXFCSA-N 2 0 384.362 2.629 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000884394790 663070154 /nfs/dbraw/zinc/07/01/54/663070154.db2.gz NIPSQGZTXVOUTE-NVXWUHKLSA-N 2 0 380.330 2.687 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000884394792 663070221 /nfs/dbraw/zinc/07/02/21/663070221.db2.gz NIPSQGZTXVOUTE-WBVHZDCISA-N 2 0 380.330 2.687 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c(cncc3Cl)s2)C[C@H]1C[NH+](C)C ZINC000899158450 663678069 /nfs/dbraw/zinc/67/80/69/663678069.db2.gz QLVNEKSGLJYJLC-CHWSQXEVSA-N 2 0 380.945 2.761 20 0 GFADRP C[C@H](Cc1ccccc1Br)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903921898 663811619 /nfs/dbraw/zinc/81/16/19/663811619.db2.gz SJDDBGRCLPZCIV-HIFRSBDPSA-N 2 0 378.318 2.686 20 0 GFADRP COc1ccc([C@H](C)[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1Br ZINC000903920350 663811629 /nfs/dbraw/zinc/81/16/29/663811629.db2.gz IMQWSSPWPKMAJL-JSGCOSHPSA-N 2 0 394.317 2.825 20 0 GFADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1Br ZINC000903919524 663811655 /nfs/dbraw/zinc/81/16/55/663811655.db2.gz DJZRCBVQTZXUSY-OCCSQVGLSA-N 2 0 395.345 2.968 20 0 GFADRP Cc1cc(Br)cn2c(C[NH+]3CCC4(CO[C@@H](C[NH3+])C4)CC3)cnc12 ZINC000904391179 663832333 /nfs/dbraw/zinc/83/23/33/663832333.db2.gz FENVALOLISBHQR-MRXNPFEDSA-N 2 0 393.329 2.735 20 0 GFADRP CCC([NH3+])(CC)CNC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000911858185 664259248 /nfs/dbraw/zinc/25/92/48/664259248.db2.gz OUTOFUNIKDLSHV-UHFFFAOYSA-N 2 0 382.346 2.704 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC12CC[NH2+]CC2 ZINC000925848115 664675729 /nfs/dbraw/zinc/67/57/29/664675729.db2.gz AFGMAKSJCFXDAJ-ABAIWWIYSA-N 2 0 397.288 2.850 20 0 GFADRP CSC[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](C)[NH+]2CCC[C@H](CSC)C2)C1 ZINC000930561068 664773407 /nfs/dbraw/zinc/77/34/07/664773407.db2.gz TZPUVWDAPUUSJY-KURKYZTESA-N 2 0 387.659 2.641 20 0 GFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)C[C@@H]2C1 ZINC000931433066 664794776 /nfs/dbraw/zinc/79/47/76/664794776.db2.gz OAUMWTRPRRKQLB-OLZOCXBDSA-N 2 0 384.293 2.800 20 0 GFADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)nc1 ZINC001164426066 718919102 /nfs/dbraw/zinc/91/91/02/718919102.db2.gz WDTNGDFXFCFIMB-RBBKRZOGSA-N 2 0 388.556 2.604 20 0 GFADRP Fc1cccnc1N(c1ccc(C[NH+]2CCCC2)cn1)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164691088 719760944 /nfs/dbraw/zinc/76/09/44/719760944.db2.gz LDXZOHVUUCGYGF-GCJKJVERSA-N 2 0 397.498 2.871 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164832548 720323279 /nfs/dbraw/zinc/32/32/79/720323279.db2.gz UIGYLZYSDZQZBQ-UXHICEINSA-N 2 0 381.524 2.783 20 0 GFADRP c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001164726343 720419794 /nfs/dbraw/zinc/41/97/94/720419794.db2.gz BNKMXEGDBXZXRE-RTWAWAEBSA-N 2 0 393.535 2.804 20 0 GFADRP CC(C)[N@H+]1[C@@H]2CCN(c3cc(C[NH+](C)C)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838754 720625925 /nfs/dbraw/zinc/62/59/25/720625925.db2.gz LMKBODYWJGPVFJ-QHAWAJNXSA-N 2 0 382.556 2.718 20 0 GFADRP Cc1[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc2[nH]ccc21 ZINC001164740518 720842935 /nfs/dbraw/zinc/84/29/35/720842935.db2.gz CFIGPSDSGOCRPY-WAOWUJCRSA-N 2 0 391.523 2.842 20 0 GFADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164985506 722131094 /nfs/dbraw/zinc/13/10/94/722131094.db2.gz ZRJXBKIRFQOACY-IRLDBZIGSA-N 2 0 393.535 2.804 20 0 GFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000359870593 209198529 /nfs/dbraw/zinc/19/85/29/209198529.db2.gz IYMNXGOFLDVXJM-INMHGKMJSA-N 2 0 387.446 2.958 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)ccc1Br ZINC000132891134 551380234 /nfs/dbraw/zinc/38/02/34/551380234.db2.gz BHKNSCCASIEESL-UHFFFAOYSA-N 2 0 375.286 2.545 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1Br ZINC000155463393 551500190 /nfs/dbraw/zinc/50/01/90/551500190.db2.gz KCCNVCZYDDZPAG-UHFFFAOYSA-N 2 0 376.726 2.668 20 0 GFADRP Clc1ccc(-n2cc(C[NH2+]CCCC[NH+]3CCOCC3)nn2)cc1Cl ZINC000183467103 552309708 /nfs/dbraw/zinc/30/97/08/552309708.db2.gz GVYOOTWUAVLPDH-UHFFFAOYSA-N 2 0 384.311 2.776 20 0 GFADRP COc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1Br ZINC000185889485 552373156 /nfs/dbraw/zinc/37/31/56/552373156.db2.gz YILHCCWQPUHYEP-UHFFFAOYSA-N 2 0 384.362 2.963 20 0 GFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000185894413 552373395 /nfs/dbraw/zinc/37/33/95/552373395.db2.gz KXQYDGARZLNKFG-UHFFFAOYSA-N 2 0 396.373 2.890 20 0 GFADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(Br)c(Br)c1 ZINC000219901496 553054992 /nfs/dbraw/zinc/05/49/92/553054992.db2.gz LIOSVTJSGCKWDV-UHFFFAOYSA-N 2 0 391.151 2.549 20 0 GFADRP C[N@H+](CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)Cc1ccccc1 ZINC000261664053 553155582 /nfs/dbraw/zinc/15/55/82/553155582.db2.gz FLNUCVYCGITHAP-LJQANCHMSA-N 2 0 390.325 2.871 20 0 GFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261746840 553158001 /nfs/dbraw/zinc/15/80/01/553158001.db2.gz MGDXRZAAYICUHF-RDTXWAMCSA-N 2 0 382.346 2.813 20 0 GFADRP Brc1ccc(CN2CCC(c3nnc4n3CCNC4)CC2)s1 ZINC000261798860 553159936 /nfs/dbraw/zinc/15/99/36/553159936.db2.gz ROGMJDASXKEXDH-UHFFFAOYSA-N 2 0 382.331 2.585 20 0 GFADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261871591 553161848 /nfs/dbraw/zinc/16/18/48/553161848.db2.gz XWYQJOLDYWKNCN-KDOFPFPSSA-N 2 0 382.346 2.717 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCC[NH2+]C1CC1 ZINC000418294259 563215631 /nfs/dbraw/zinc/21/56/31/563215631.db2.gz CGBTVBSABIPBNL-UHFFFAOYSA-N 2 0 397.361 2.664 20 0 GFADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418673443 563222266 /nfs/dbraw/zinc/22/22/66/563222266.db2.gz OVKXJWUDNIAAAJ-HALDLXJZSA-N 2 0 385.339 2.675 20 0 GFADRP Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422700829 563348635 /nfs/dbraw/zinc/34/86/35/563348635.db2.gz ASXYXWXRFIUYCN-CWLKWCNXSA-N 2 0 394.357 2.775 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(OC)c(Br)c2)CC[NH2+]CC1 ZINC000422875480 563349949 /nfs/dbraw/zinc/34/99/49/563349949.db2.gz CTBYWVBJYVKZAS-CYBMUJFWSA-N 2 0 399.329 2.869 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422842660 563350047 /nfs/dbraw/zinc/35/00/47/563350047.db2.gz YUJSXJWJSZETIA-MUIFIZLQSA-N 2 0 383.330 2.963 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900594 563350097 /nfs/dbraw/zinc/35/00/97/563350097.db2.gz QTZQCVTXBMYXKA-DFEHZGFQSA-N 2 0 382.346 2.617 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422945701 563351457 /nfs/dbraw/zinc/35/14/57/563351457.db2.gz NNFNHSVJEMFGDD-DACLVMHWSA-N 2 0 382.346 2.617 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000423057454 563353664 /nfs/dbraw/zinc/35/36/64/563353664.db2.gz ZTQIFNXNRVPJCR-WMLDXEAASA-N 2 0 398.345 2.596 20 0 GFADRP Cc1nc(C(F)(F)F)c(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000375202486 563394638 /nfs/dbraw/zinc/39/46/38/563394638.db2.gz QSUZFQLVZTVFPH-JSGCOSHPSA-N 2 0 376.492 2.928 20 0 GFADRP CC[C@@H](C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)[NH+](C)C ZINC000425101062 563404340 /nfs/dbraw/zinc/40/43/40/563404340.db2.gz XMAVYDFOSSMPES-HNNXBMFYSA-N 2 0 385.350 2.726 20 0 GFADRP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430604231 563546387 /nfs/dbraw/zinc/54/63/87/563546387.db2.gz PTDLJVUABONWLY-CABCVRRESA-N 2 0 380.330 2.654 20 0 GFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000430616986 563546402 /nfs/dbraw/zinc/54/64/02/563546402.db2.gz JBIRMVCRRRAVME-AWEZNQCLSA-N 2 0 388.293 2.992 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Br)cs1 ZINC000333299817 563627510 /nfs/dbraw/zinc/62/75/10/563627510.db2.gz PVEDFHFUGXONAA-WNMQOVRZSA-N 2 0 386.359 2.808 20 0 GFADRP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000414748284 563751510 /nfs/dbraw/zinc/75/15/10/563751510.db2.gz NRTGTUGEWCNLBM-HUUCEWRRSA-N 2 0 380.330 2.595 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000414751743 563751521 /nfs/dbraw/zinc/75/15/21/563751521.db2.gz JEFMHRNVAYMCHV-KRWDZBQOSA-N 2 0 394.357 2.858 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414831343 563753338 /nfs/dbraw/zinc/75/33/38/563753338.db2.gz NDVKOORGZQJYLP-OAHLLOKOSA-N 2 0 394.357 2.951 20 0 GFADRP COC[C@@]1(CNC2CC[NH+](Cc3ccccc3Br)CC2)CCC[NH2+]1 ZINC000414944398 563755293 /nfs/dbraw/zinc/75/52/93/563755293.db2.gz NZSIPGCYJFGBIM-IBGZPJMESA-N 2 0 396.373 2.772 20 0 GFADRP COc1cc(Cl)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000414971414 563755570 /nfs/dbraw/zinc/75/55/70/563755570.db2.gz INPRAGPFMPWSCA-AWEZNQCLSA-N 2 0 386.245 2.928 20 0 GFADRP COc1ccc(Br)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415045281 563757188 /nfs/dbraw/zinc/75/71/88/563757188.db2.gz BITGATAMJPRINF-UHFFFAOYSA-N 2 0 382.346 2.764 20 0 GFADRP NC1(C[NH2+]Cc2cncc(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137843 563760457 /nfs/dbraw/zinc/76/04/57/563760457.db2.gz UGUXWZNOQZPCDK-UHFFFAOYSA-N 2 0 389.341 2.927 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000449680711 564195410 /nfs/dbraw/zinc/19/54/10/564195410.db2.gz KMZYWNODBHKQHV-RKVPGOIHSA-N 2 0 399.373 2.929 20 0 GFADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C[NH3+])OC ZINC000565948870 564303480 /nfs/dbraw/zinc/30/34/80/564303480.db2.gz LCPJNBCYXBCKPJ-INIZCTEOSA-N 2 0 376.328 2.638 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000566780895 564342889 /nfs/dbraw/zinc/34/28/89/564342889.db2.gz IETNTYJFFYAURT-UHFFFAOYSA-N 2 0 398.349 2.679 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000477861460 564389718 /nfs/dbraw/zinc/38/97/18/564389718.db2.gz NLMTVOSHKLUFPF-CXAGYDPISA-N 2 0 398.345 2.507 20 0 GFADRP O=C(CC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc(Br)cc1 ZINC000567876744 564393631 /nfs/dbraw/zinc/39/36/31/564393631.db2.gz YCWROUKTXWTVGP-QGZVFWFLSA-N 2 0 398.345 2.604 20 0 GFADRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc(Br)cc1F ZINC000567889746 564394509 /nfs/dbraw/zinc/39/45/09/564394509.db2.gz QFAACUODQTYNFG-QGZVFWFLSA-N 2 0 384.293 2.992 20 0 GFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000517733084 564541504 /nfs/dbraw/zinc/54/15/04/564541504.db2.gz WVBYCYJNEMHOJY-NVXWUHKLSA-N 2 0 385.346 2.899 20 0 GFADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000551266635 564644909 /nfs/dbraw/zinc/64/49/09/564644909.db2.gz BQKUYWXYROWDAN-CYBMUJFWSA-N 2 0 396.304 2.990 20 0 GFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000574417291 564673579 /nfs/dbraw/zinc/67/35/79/564673579.db2.gz BHZUXGZOKDWPTR-RDJZCZTQSA-N 2 0 380.374 2.922 20 0 GFADRP C[C@H]1C[N@H+](CCOc2cccc(Br)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490983273 564784102 /nfs/dbraw/zinc/78/41/02/564784102.db2.gz BTXZGERAXIQFHY-QFBILLFUSA-N 2 0 396.373 2.786 20 0 GFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000582296311 564839512 /nfs/dbraw/zinc/83/95/12/564839512.db2.gz DNLFXTHCFIPMFP-XHSDSOJGSA-N 2 0 389.309 2.790 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C)ccc1Cl ZINC000497534404 564870153 /nfs/dbraw/zinc/87/01/53/564870153.db2.gz QHNUAHYRZLSORQ-INIZCTEOSA-N 2 0 387.977 2.685 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535157210 565006514 /nfs/dbraw/zinc/00/65/14/565006514.db2.gz UVLBVNJKGWLPNH-MRXNPFEDSA-N 2 0 391.940 2.516 20 0 GFADRP O=C([C@@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1)N1CC[NH2+]CC1 ZINC000469995487 565034358 /nfs/dbraw/zinc/03/43/58/565034358.db2.gz AZVUVLKYEDHQQV-CQSZACIVSA-N 2 0 376.551 2.515 20 0 GFADRP C[C@H](C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635941457 565082614 /nfs/dbraw/zinc/08/26/14/565082614.db2.gz UOZJXYODOVQIGG-CQSZACIVSA-N 2 0 382.346 2.822 20 0 GFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)C1 ZINC000657594859 565112015 /nfs/dbraw/zinc/11/20/15/565112015.db2.gz DRSKBYVBOBYKAH-GOSISDBHSA-N 2 0 376.298 2.701 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636873845 565128939 /nfs/dbraw/zinc/12/89/39/565128939.db2.gz PQVZPNBMXKSFKJ-QGZVFWFLSA-N 2 0 397.361 2.664 20 0 GFADRP Brc1cnc2c(CN3CC[C@H](C[NH+]4CCCCC4)C3)cnn2c1 ZINC000638122163 565185220 /nfs/dbraw/zinc/18/52/20/565185220.db2.gz LPXAHONQJNUJFX-CQSZACIVSA-N 2 0 378.318 2.800 20 0 GFADRP Brc1cnc2c(C[NH2+]CC3CC[NH+](CC4CC4)CC3)cnn2c1 ZINC000639335775 565240635 /nfs/dbraw/zinc/24/06/35/565240635.db2.gz XHALPYBZROQSPG-UHFFFAOYSA-N 2 0 378.318 2.703 20 0 GFADRP C[C@]([NH3+])(C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000663004811 565392063 /nfs/dbraw/zinc/39/20/63/565392063.db2.gz RSBQOBZQFUPRDR-HNAYVOBHSA-N 2 0 394.357 2.861 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000663506466 565424258 /nfs/dbraw/zinc/42/42/58/565424258.db2.gz RPHBTDAIAJWBNI-HNNXBMFYSA-N 2 0 396.373 2.960 20 0 GFADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1sccc1Br ZINC000643530264 565435106 /nfs/dbraw/zinc/43/51/06/565435106.db2.gz SHGAPTLFAKNSOG-KOLCDFICSA-N 2 0 386.281 2.997 20 0 GFADRP O=S1(=O)CC[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2cc(Br)ccc21 ZINC000643510615 565435374 /nfs/dbraw/zinc/43/53/74/565435374.db2.gz ZDDIILWJYQHBJD-SWLSCSKDSA-N 2 0 387.343 2.647 20 0 GFADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)COc1cc(F)cc(Br)c1 ZINC000644524072 565480126 /nfs/dbraw/zinc/48/01/26/565480126.db2.gz PGFIUWILHGKPHV-BZUAXINKSA-N 2 0 387.293 2.544 20 0 GFADRP COCC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623356819 565505571 /nfs/dbraw/zinc/50/55/71/565505571.db2.gz JHJMCJKJXNCPIK-UHFFFAOYSA-N 2 0 387.347 2.959 20 0 GFADRP COc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc(I)c1OC ZINC000596101329 565514108 /nfs/dbraw/zinc/51/41/08/565514108.db2.gz FXMLSTXLADSBSA-CYBMUJFWSA-N 2 0 392.281 2.771 20 0 GFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000645145515 565514673 /nfs/dbraw/zinc/51/46/73/565514673.db2.gz MSUKXVQGUBZGIV-MRXNPFEDSA-N 2 0 380.374 2.922 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)c1ccc(Br)cc1 ZINC000647092892 565636506 /nfs/dbraw/zinc/63/65/06/565636506.db2.gz JNCAGEXVUBWMML-VQIMIIECSA-N 2 0 394.357 2.860 20 0 GFADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000647797767 565676524 /nfs/dbraw/zinc/67/65/24/565676524.db2.gz BPRRSWYFPMXEHF-WNRNVDISSA-N 2 0 381.358 2.886 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000669519544 565691566 /nfs/dbraw/zinc/69/15/66/565691566.db2.gz IAYOYPQNXNRZQU-QMTMVMCOSA-N 2 0 394.357 2.861 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]21 ZINC000629519373 565857753 /nfs/dbraw/zinc/85/77/53/565857753.db2.gz PWSPYQSLGHODSO-DUFGSWQCSA-N 2 0 378.314 2.762 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679330838 566038728 /nfs/dbraw/zinc/03/87/28/566038728.db2.gz USEVDGSTEDZVCE-OALUTQOASA-N 2 0 396.373 2.896 20 0 GFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000655827706 566091644 /nfs/dbraw/zinc/09/16/44/566091644.db2.gz YLLWJCWFFGGPNN-KDYLLFBJSA-N 2 0 382.346 2.716 20 0 GFADRP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000826182647 607518186 /nfs/dbraw/zinc/51/81/86/607518186.db2.gz PSEUHYZOBFNFFK-UHFFFAOYSA-N 2 0 384.528 2.963 20 0 GFADRP Cc1nn(-c2ccccc2)c(C[NH+]2CCC(CC[NH+](C)C)CC2)c1-c1nn[nH]n1 ZINC000826332395 608310719 /nfs/dbraw/zinc/31/07/19/608310719.db2.gz SNGZNTSIYVLKKI-UHFFFAOYSA-N 2 0 394.527 2.525 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)[C@@H](C)C1 ZINC000825593764 608512705 /nfs/dbraw/zinc/51/27/05/608512705.db2.gz DBOTUYDMMXFZRL-ORYQWCPZSA-N 2 0 398.555 2.971 20 0 GFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617581 609327730 /nfs/dbraw/zinc/32/77/30/609327730.db2.gz IDLSXQJWDSKMKH-AWEZNQCLSA-N 2 0 384.459 2.797 20 0 GFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824983785 609330948 /nfs/dbraw/zinc/33/09/48/609330948.db2.gz CSOYRIGGIPIQSB-QLFBSQMISA-N 2 0 376.480 2.546 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000817906208 660211868 /nfs/dbraw/zinc/21/18/68/660211868.db2.gz YLPQBMLMYYEPPQ-LRDDRELGSA-N 2 0 389.323 2.938 20 0 GFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2nc(Br)cs2)CC1 ZINC000834566515 660825088 /nfs/dbraw/zinc/82/50/88/660825088.db2.gz OAGPPLYSOXKFPY-STQMWFEESA-N 2 0 375.380 2.830 20 0 GFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000111240967 655167073 /nfs/dbraw/zinc/16/70/73/655167073.db2.gz WPFVHZHWQFIWST-QGZVFWFLSA-N 2 0 385.346 2.995 20 0 GFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000113516153 655211750 /nfs/dbraw/zinc/21/17/50/655211750.db2.gz YMEUVBWKKBCBRG-AWEZNQCLSA-N 2 0 388.293 2.944 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261674463 655441720 /nfs/dbraw/zinc/44/17/20/655441720.db2.gz MANBNTYRMXWPGR-GOSISDBHSA-N 2 0 394.357 2.872 20 0 GFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261943978 655443220 /nfs/dbraw/zinc/44/32/20/655443220.db2.gz NDLAXZDPYJFIIH-HNNXBMFYSA-N 2 0 382.346 2.847 20 0 GFADRP O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000579834969 655504506 /nfs/dbraw/zinc/50/45/06/655504506.db2.gz MYSXTGFXVUWQBB-RVKKMQEKSA-N 2 0 392.341 2.876 20 0 GFADRP O=C(Nc1ccc(Br)cn1)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000579839346 655504675 /nfs/dbraw/zinc/50/46/75/655504675.db2.gz TZPNGRNXSHGTNL-CQSZACIVSA-N 2 0 395.345 2.884 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ncc1F ZINC000762743362 656057510 /nfs/dbraw/zinc/05/75/10/656057510.db2.gz BANKDGAUIMQWNH-QWHCGFSZSA-N 2 0 385.325 2.802 20 0 GFADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)cc1 ZINC000775360984 656632409 /nfs/dbraw/zinc/63/24/09/656632409.db2.gz BOWLHNAVEIPHOV-HSALFYBXSA-N 2 0 377.623 2.773 20 0 GFADRP Cc1nc(Br)sc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000816933304 660173339 /nfs/dbraw/zinc/17/33/39/660173339.db2.gz BKKZNVWJGMUPLY-UHFFFAOYSA-N 2 0 391.379 2.560 20 0 GFADRP C[NH+]1CCC(C[NH2+]Cc2cccnc2Br)(N2CCCCC2)CC1 ZINC000865476815 662423757 /nfs/dbraw/zinc/42/37/57/662423757.db2.gz KACBFSQXPCNOIZ-UHFFFAOYSA-N 2 0 381.362 2.884 20 0 GFADRP Cn1c2ccccc2c(Br)c1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000873009648 662796280 /nfs/dbraw/zinc/79/62/80/662796280.db2.gz QAWUDEMIFNUKPR-UHFFFAOYSA-N 2 0 379.346 2.668 20 0 GFADRP C[C@H](C[NH2+]Cc1c(Br)c2ccccc2n1C)CN1CC[NH+](C)CC1 ZINC000873041544 662797296 /nfs/dbraw/zinc/79/72/96/662797296.db2.gz AZFWVVWXVMLRKL-OAHLLOKOSA-N 2 0 393.373 2.914 20 0 GFADRP [NH3+][C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1cccc(Br)c1 ZINC000876982320 662869221 /nfs/dbraw/zinc/86/92/21/662869221.db2.gz YEPIJQLMRKXTRB-KRWDZBQOSA-N 2 0 380.330 2.687 20 0 GFADRP COCC[N@H+](C[C@H](O)c1ccccc1Br)CC1CC[NH+](C)CC1 ZINC000879126219 662917939 /nfs/dbraw/zinc/91/79/39/662917939.db2.gz VRPUMPRNLUQILU-SFHVURJKSA-N 2 0 385.346 2.773 20 0 GFADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884229914 663067409 /nfs/dbraw/zinc/06/74/09/663067409.db2.gz DMVVIQXHVPPRDW-PBHICJAKSA-N 2 0 380.330 2.639 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000884294498 663068319 /nfs/dbraw/zinc/06/83/19/663068319.db2.gz CIJWQNXRIBUKAB-UXLLHSPISA-N 2 0 380.330 2.687 20 0 GFADRP [NH3+][C@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccc(Br)cc1 ZINC000884409866 663070363 /nfs/dbraw/zinc/07/03/63/663070363.db2.gz UUANZISPNDJWSG-SJORKVTESA-N 2 0 390.281 2.749 20 0 GFADRP Cn1nc(Br)cc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904473375 663835351 /nfs/dbraw/zinc/83/53/51/663835351.db2.gz QEOIDCRQXFMJQT-YOEHRIQHSA-N 2 0 377.286 2.528 20 0 GFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000923376185 664629220 /nfs/dbraw/zinc/62/92/20/664629220.db2.gz VHTPNZLSZKLSMS-FGTMMUONSA-N 2 0 383.330 2.701 20 0 GFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923393824 664629411 /nfs/dbraw/zinc/62/94/11/664629411.db2.gz YQADRDXDAMVZMG-RAIGVLPGSA-N 2 0 377.710 2.654 20 0 GFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(Br)c1 ZINC000925852581 664675998 /nfs/dbraw/zinc/67/59/98/664675998.db2.gz CQGWIRHEBKESNB-OCCSQVGLSA-N 2 0 397.313 2.794 20 0 GFADRP O=C(Nc1nc2ccsc2s1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000926039558 664679630 /nfs/dbraw/zinc/67/96/30/664679630.db2.gz STXXVNAEYMJWJX-BETUJISGSA-N 2 0 377.539 2.790 20 0 GFADRP C[N@H+](Cc1ccc(N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)nc1)C1CC1 ZINC001164692513 719760717 /nfs/dbraw/zinc/76/07/17/719760717.db2.gz UPUANANYQZCMOS-PGRDOPGGSA-N 2 0 397.498 2.869 20 0 GFADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C[NH+](C)C)ccn3)CC[C@@H]21 ZINC001164838751 720624230 /nfs/dbraw/zinc/62/42/30/720624230.db2.gz LMKBODYWJGPVFJ-ACRUOGEOSA-N 2 0 382.556 2.718 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164739960 720833315 /nfs/dbraw/zinc/83/33/15/720833315.db2.gz BDJBYPGOEBAVOB-SFHLNBCPSA-N 2 0 396.539 2.840 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164739961 720833545 /nfs/dbraw/zinc/83/35/45/720833545.db2.gz BDJBYPGOEBAVOB-SVFBPWRDSA-N 2 0 396.539 2.840 20 0 GFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(I)cc1 ZINC000151870261 551422576 /nfs/dbraw/zinc/42/25/76/551422576.db2.gz VIFCUHLIGIKWSS-ZDUSSCGKSA-N 2 0 388.293 2.646 20 0 GFADRP C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162565524 551609662 /nfs/dbraw/zinc/60/96/62/551609662.db2.gz TXCXAJNDHHUJKO-CQSZACIVSA-N 2 0 381.318 2.764 20 0 GFADRP CN(Cc1ccc(Br)s1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000179696350 552200273 /nfs/dbraw/zinc/20/02/73/552200273.db2.gz HDVSDDWJTBPKKD-UHFFFAOYSA-N 2 0 396.358 2.684 20 0 GFADRP C[C@]([NH3+])(C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000261617784 553154350 /nfs/dbraw/zinc/15/43/50/553154350.db2.gz AJBPRLCEGCASSR-GOSISDBHSA-N 2 0 380.330 2.614 20 0 GFADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000261653344 553154980 /nfs/dbraw/zinc/15/49/80/553154980.db2.gz FQEODZXWPZZHID-GFCCVEGCSA-N 2 0 376.353 2.872 20 0 GFADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(CCN3CCOCC3)C1)CCS2 ZINC000372779502 563317273 /nfs/dbraw/zinc/31/72/73/563317273.db2.gz HKIOJBGDTZGISR-SJLPKXTDSA-N 2 0 381.973 2.873 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422910507 563350902 /nfs/dbraw/zinc/35/09/02/563350902.db2.gz QVKJDEQIHJMRLQ-CXAGYDPISA-N 2 0 398.345 2.685 20 0 GFADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)cs1 ZINC000423372820 563360249 /nfs/dbraw/zinc/36/02/49/563360249.db2.gz BJTVNRGDVFWXMB-CABZTGNLSA-N 2 0 386.281 2.997 20 0 GFADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)s1 ZINC000423391054 563360318 /nfs/dbraw/zinc/36/03/18/563360318.db2.gz PCSLNQVPVDXQCU-MWLCHTKSSA-N 2 0 386.281 2.997 20 0 GFADRP O=S1(=O)CC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2cc(Br)ccc21 ZINC000423484005 563361038 /nfs/dbraw/zinc/36/10/38/563361038.db2.gz QPTYBJXDBJRNJN-DZGCQCFKSA-N 2 0 387.343 2.789 20 0 GFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000423481931 563361513 /nfs/dbraw/zinc/36/15/13/563361513.db2.gz XDEWBAKHQBGRCW-NJZAAPMLSA-N 2 0 387.343 2.775 20 0 GFADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425101291 563405111 /nfs/dbraw/zinc/40/51/11/563405111.db2.gz ZLLCGDOKYBAPFP-HIFRSBDPSA-N 2 0 397.361 2.583 20 0 GFADRP CC(C)(NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1nc(C(F)(F)F)cs1 ZINC000433128018 563603986 /nfs/dbraw/zinc/60/39/86/563603986.db2.gz VMBYVUKLSXDIBJ-UHFFFAOYSA-N 2 0 378.464 2.717 20 0 GFADRP C[NH+](C)CC1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439461798 563726583 /nfs/dbraw/zinc/72/65/83/563726583.db2.gz MFZFSHDINHKABH-INIZCTEOSA-N 2 0 389.309 2.602 20 0 GFADRP Brc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(N2CCOCC2)c1 ZINC000414833758 563753515 /nfs/dbraw/zinc/75/35/15/563753515.db2.gz GUCBYGRWHXJBBY-HNNXBMFYSA-N 2 0 382.346 2.765 20 0 GFADRP Cc1cc(Br)ccc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965473 563755635 /nfs/dbraw/zinc/75/56/35/563755635.db2.gz CYRMMOXTXCMNGJ-CQSZACIVSA-N 2 0 380.252 2.683 20 0 GFADRP Fc1ccc(Br)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414991634 563756234 /nfs/dbraw/zinc/75/62/34/563756234.db2.gz SOZWRUWSIRPVSN-ZDUSSCGKSA-N 2 0 384.215 2.514 20 0 GFADRP COc1cc(C[NH2+][C@H](C)CCC[NH3+])cc(I)c1OC ZINC000415026807 563756799 /nfs/dbraw/zinc/75/67/99/563756799.db2.gz VNGDFFGGXUDRLL-SNVBAGLBSA-N 2 0 378.254 2.525 20 0 GFADRP Cc1nn(C)c(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1Br ZINC000365949282 563796178 /nfs/dbraw/zinc/79/61/78/563796178.db2.gz ILPWAAXONASQNB-OKILXGFUSA-N 2 0 399.377 2.812 20 0 GFADRP CCN(CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)S(C)(=O)=O ZINC000449088799 563906350 /nfs/dbraw/zinc/90/63/50/563906350.db2.gz ZVILHQZEHPIDDR-UHFFFAOYSA-N 2 0 375.623 2.927 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(Br)c1 ZINC000505791127 564189940 /nfs/dbraw/zinc/18/99/40/564189940.db2.gz VJLUFSLQWNMLLN-CQSZACIVSA-N 2 0 388.375 2.999 20 0 GFADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683853 564195837 /nfs/dbraw/zinc/19/58/37/564195837.db2.gz OCSNFWJKCYRKCQ-HRCADAONSA-N 2 0 385.321 2.956 20 0 GFADRP Brc1ccccc1-n1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)nn1 ZINC000564412660 564232419 /nfs/dbraw/zinc/23/24/19/564232419.db2.gz AAJULPFMDAUMNS-UHFFFAOYSA-N 2 0 390.329 2.994 20 0 GFADRP O=C(NCC[NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Br)c1 ZINC000540363505 564246991 /nfs/dbraw/zinc/24/69/91/564246991.db2.gz YQPLXXYWDWIGIS-UHFFFAOYSA-N 2 0 380.330 2.643 20 0 GFADRP COc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(Br)c1OC ZINC000565775681 564295908 /nfs/dbraw/zinc/29/59/08/564295908.db2.gz NWRJKDGBABWHSU-PBHICJAKSA-N 2 0 399.329 2.795 20 0 GFADRP Ic1ccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000511038152 564354750 /nfs/dbraw/zinc/35/47/50/564354750.db2.gz NVKIZUVJSAMYHG-HUUCEWRRSA-N 2 0 386.277 2.886 20 0 GFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(OC)cc2Br)CC1 ZINC000512127604 564392423 /nfs/dbraw/zinc/39/24/23/564392423.db2.gz BDSGWUIHKKBBSP-OAHLLOKOSA-N 2 0 384.362 2.821 20 0 GFADRP CCn1cc(Br)cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000512361403 564398938 /nfs/dbraw/zinc/39/89/38/564398938.db2.gz BCENOIDWCYANSI-INIZCTEOSA-N 2 0 399.377 2.759 20 0 GFADRP C[C@@H]1C[N@H+](CCC[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCCO1 ZINC000569476499 564465404 /nfs/dbraw/zinc/46/54/04/564465404.db2.gz VBIUKYNPENCNPV-OAHLLOKOSA-N 2 0 398.345 2.868 20 0 GFADRP CC(C)[C@@](C)([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(Br)cc1 ZINC000484341530 564586631 /nfs/dbraw/zinc/58/66/31/564586631.db2.gz OHFWKIRIWZYKGA-GOSISDBHSA-N 2 0 382.346 2.684 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccccc1Br ZINC000522171324 564645964 /nfs/dbraw/zinc/64/59/64/564645964.db2.gz JZDUNKLPPWYILW-UHFFFAOYSA-N 2 0 384.362 2.724 20 0 GFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000459726188 564760203 /nfs/dbraw/zinc/76/02/03/564760203.db2.gz BIGYEMIFMKYNEB-AWEZNQCLSA-N 2 0 378.318 2.851 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(O)cc(Br)c1 ZINC000528337673 564778561 /nfs/dbraw/zinc/77/85/61/564778561.db2.gz SFCSJLQUGNOXLS-INIZCTEOSA-N 2 0 398.345 2.643 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000529387055 564833252 /nfs/dbraw/zinc/83/32/52/564833252.db2.gz NJPYNPFKLSIQAE-CPUCHLNUSA-N 2 0 385.339 2.847 20 0 GFADRP [NH3+]CCCOC1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000503910152 565031323 /nfs/dbraw/zinc/03/13/23/565031323.db2.gz MJCPNOMUYKMMBQ-UHFFFAOYSA-N 2 0 375.282 2.797 20 0 GFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000470180570 565040545 /nfs/dbraw/zinc/04/05/45/565040545.db2.gz PDWRTZGPBCVFKA-WMLDXEAASA-N 2 0 382.346 2.889 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)c1csc(CC[NH3+])n1)c1ccc(Cl)c(Cl)c1 ZINC000638665038 565207124 /nfs/dbraw/zinc/20/71/24/565207124.db2.gz YDZTZTYQGBMCCL-ZDUSSCGKSA-N 2 0 387.336 2.984 20 0 GFADRP CC[NH+](CC)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000619274102 565334002 /nfs/dbraw/zinc/33/40/02/565334002.db2.gz BHSCVAPSFIMBKJ-UHFFFAOYSA-N 2 0 399.377 2.864 20 0 GFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)CCO1 ZINC000662324179 565361004 /nfs/dbraw/zinc/36/10/04/565361004.db2.gz YVHWUULOHFUMJR-OAHLLOKOSA-N 2 0 398.345 2.820 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)[C@H](N)c1ccccc1Br)Cc1ccccc1 ZINC000662344557 565362181 /nfs/dbraw/zinc/36/21/81/565362181.db2.gz CAUUVUNDTCUONY-MAUKXSAKSA-N 2 0 390.325 2.738 20 0 GFADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000662594466 565379672 /nfs/dbraw/zinc/37/96/72/565379672.db2.gz TWZYVJKVPOGKQA-SCLBCKFNSA-N 2 0 382.346 2.860 20 0 GFADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000662594467 565379731 /nfs/dbraw/zinc/37/97/31/565379731.db2.gz TWZYVJKVPOGKQA-UGSOOPFHSA-N 2 0 382.346 2.860 20 0 GFADRP C[C@@]([NH3+])(C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000663004814 565392017 /nfs/dbraw/zinc/39/20/17/565392017.db2.gz RSBQOBZQFUPRDR-KXBFYZLASA-N 2 0 394.357 2.861 20 0 GFADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1sccc1Br ZINC000643530263 565435261 /nfs/dbraw/zinc/43/52/61/565435261.db2.gz SHGAPTLFAKNSOG-GXSJLCMTSA-N 2 0 386.281 2.997 20 0 GFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000643540897 565435709 /nfs/dbraw/zinc/43/57/09/565435709.db2.gz PDWAJXMVEAVPCQ-XTXFNFMZSA-N 2 0 399.354 2.773 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623889797 565533955 /nfs/dbraw/zinc/53/39/55/565533955.db2.gz WIORDQAWCGRRFV-QWHCGFSZSA-N 2 0 378.870 2.910 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC000666701985 565553490 /nfs/dbraw/zinc/55/34/90/565553490.db2.gz VYOSKBRTANPPFO-PBHICJAKSA-N 2 0 380.330 2.783 20 0 GFADRP C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000626041125 565672391 /nfs/dbraw/zinc/67/23/91/565672391.db2.gz QYUSCUMHTGHXIF-DOTOQJQBSA-N 2 0 394.357 2.791 20 0 GFADRP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040810 565672868 /nfs/dbraw/zinc/67/28/68/565672868.db2.gz MRWYDPBZAMKKNJ-HFTRVMKXSA-N 2 0 385.346 2.566 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789789 565675634 /nfs/dbraw/zinc/67/56/34/565675634.db2.gz LKPDWBIWSFILCP-HYVNUMGLSA-N 2 0 394.357 2.775 20 0 GFADRP Brc1ccc(-c2nnc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)[nH]2)cc1 ZINC000647791450 565676795 /nfs/dbraw/zinc/67/67/95/565676795.db2.gz DGSUKXZNMSSYFB-UMVBOHGHSA-N 2 0 376.302 2.712 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647799189 565676822 /nfs/dbraw/zinc/67/68/22/565676822.db2.gz ACRHICHMQQDJQF-KJGCVMFHSA-N 2 0 397.357 2.586 20 0 GFADRP C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000671766686 565785505 /nfs/dbraw/zinc/78/55/05/565785505.db2.gz TWUVEDOBXBNAJY-GFCCVEGCSA-N 2 0 394.368 2.592 20 0 GFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631039794 565935536 /nfs/dbraw/zinc/93/55/36/565935536.db2.gz ZNDDNUNXPXKJES-UHFFFAOYSA-N 2 0 375.742 2.613 20 0 GFADRP OC1(C[NH2+]Cc2ccncc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000631165492 565945908 /nfs/dbraw/zinc/94/59/08/565945908.db2.gz ZEYWWTMOZYOXSF-UHFFFAOYSA-N 2 0 390.325 2.961 20 0 GFADRP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000683695934 566210512 /nfs/dbraw/zinc/21/05/12/566210512.db2.gz VGHFVIHQYDQNKT-LBPRGKRZSA-N 2 0 378.460 2.929 20 0 GFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820705031 606915213 /nfs/dbraw/zinc/91/52/13/606915213.db2.gz RQHKVEQICCGNDB-DYESRHJHSA-N 2 0 398.555 2.877 20 0 GFADRP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccnc(-c4nn[nH]n4)c2)CC3)cc1 ZINC000826521768 608105517 /nfs/dbraw/zinc/10/55/17/608105517.db2.gz YLJRXQXRPJLGDW-UHFFFAOYSA-N 2 0 389.507 2.750 20 0 GFADRP C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000824606256 608283907 /nfs/dbraw/zinc/28/39/07/608283907.db2.gz PEOAVZLQAKKHAI-CQSZACIVSA-N 2 0 384.459 2.797 20 0 GFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824984985 609138624 /nfs/dbraw/zinc/13/86/24/609138624.db2.gz QAHSWCORUOUSAE-KFWWJZLASA-N 2 0 376.480 2.546 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000057816877 654810561 /nfs/dbraw/zinc/81/05/61/654810561.db2.gz IAQPHBOKYNSDDR-KRWDZBQOSA-N 2 0 380.627 2.909 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418338632 655405642 /nfs/dbraw/zinc/40/56/42/655405642.db2.gz LLHUCPKWRVVIOJ-OAHLLOKOSA-N 2 0 397.361 2.522 20 0 GFADRP C[C@@H]1C[N@H+](CCC[NH2+]CCC(=O)Nc2cccc(Br)c2)CCCO1 ZINC000574271555 655427736 /nfs/dbraw/zinc/42/77/36/655427736.db2.gz ZDBRKXGNEUZMRN-OAHLLOKOSA-N 2 0 398.345 2.868 20 0 GFADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1cccc(Br)c1 ZINC000575796509 655437188 /nfs/dbraw/zinc/43/71/88/655437188.db2.gz CPLKJDNORMMSFT-QGZVFWFLSA-N 2 0 383.330 2.653 20 0 GFADRP C[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000578009725 655471076 /nfs/dbraw/zinc/47/10/76/655471076.db2.gz BERXMYMUNKPFTD-KBXCAEBGSA-N 2 0 382.346 2.861 20 0 GFADRP C[C@H]1CC[N@H+](CC(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)C1 ZINC000579857750 655505111 /nfs/dbraw/zinc/50/51/11/655505111.db2.gz HFWMDFBIGHZTCG-AWEZNQCLSA-N 2 0 397.361 2.727 20 0 GFADRP C[NH+](C)CCN1CCC([NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842666046 661348125 /nfs/dbraw/zinc/34/81/25/661348125.db2.gz COBMTMYNFAYPTC-UHFFFAOYSA-N 2 0 375.742 2.613 20 0 GFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842689124 661349379 /nfs/dbraw/zinc/34/93/79/661349379.db2.gz URZHIXBFZDIFLF-UHFFFAOYSA-N 2 0 376.726 2.822 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C/c1ccc(Br)o1 ZINC000866084640 662459625 /nfs/dbraw/zinc/45/96/25/662459625.db2.gz WTTBYWFKABAYLG-CSKARUKUSA-N 2 0 386.334 2.787 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000867961499 662589613 /nfs/dbraw/zinc/58/96/13/662589613.db2.gz DQIAKOJCIQOJLA-IAGOWNOFSA-N 2 0 380.330 2.926 20 0 GFADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870948993 662711261 /nfs/dbraw/zinc/71/12/61/662711261.db2.gz ZLPMAOWULAOVQV-JKSUJKDBSA-N 2 0 380.330 2.686 20 0 GFADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000870994147 662712374 /nfs/dbraw/zinc/71/23/74/662712374.db2.gz NWKDONDUQDSTAQ-MSOLQXFVSA-N 2 0 382.346 2.847 20 0 GFADRP Cc1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(Br)c1 ZINC000877945294 662886637 /nfs/dbraw/zinc/88/66/37/662886637.db2.gz RUMFQRCKRYJKNN-HUUCEWRRSA-N 2 0 397.361 2.961 20 0 GFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H](O)c1ccc(Br)cc1 ZINC000878287402 662893167 /nfs/dbraw/zinc/89/31/67/662893167.db2.gz AYPGDCVHJSLMPN-XMTFNYHQSA-N 2 0 383.330 2.666 20 0 GFADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000884184408 663066723 /nfs/dbraw/zinc/06/67/23/663066723.db2.gz PGOCYCWRKCRWQG-KRWDZBQOSA-N 2 0 376.298 2.827 20 0 GFADRP [NH3+][C@@H](C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)c1ccc(Br)cc1 ZINC000884456969 663071026 /nfs/dbraw/zinc/07/10/26/663071026.db2.gz RYOHWRYOPNDOEP-IAGOWNOFSA-N 2 0 376.298 2.525 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)[C@H](C)C1 ZINC000903477490 663785247 /nfs/dbraw/zinc/78/52/47/663785247.db2.gz CNKLEILWXUNLOB-PMPSAXMXSA-N 2 0 399.377 2.687 20 0 GFADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1Br ZINC000903919522 663811576 /nfs/dbraw/zinc/81/15/76/663811576.db2.gz DJZRCBVQTZXUSY-GXTWGEPZSA-N 2 0 395.345 2.968 20 0 GFADRP C[C@@](C[NH3+])([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000923296765 664627707 /nfs/dbraw/zinc/62/77/07/664627707.db2.gz WNUCAIZWFLGHRV-WFASDCNBSA-N 2 0 377.710 2.559 20 0 GFADRP C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329373 664628312 /nfs/dbraw/zinc/62/83/12/664628312.db2.gz TWPAEEVPTZOTKR-QXULXFAOSA-N 2 0 387.293 2.543 20 0 GFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCc4ncc(Br)cc43)C2)CC1 ZINC000925041547 664665990 /nfs/dbraw/zinc/66/59/90/664665990.db2.gz PHZMSASGGJAOTA-HNAYVOBHSA-N 2 0 393.373 2.980 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000925118085 664667072 /nfs/dbraw/zinc/66/70/72/664667072.db2.gz RAWIZLUVVHLLTQ-GOSISDBHSA-N 2 0 390.325 2.980 20 0 GFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(Br)c1 ZINC000925852582 664676033 /nfs/dbraw/zinc/67/60/33/664676033.db2.gz CQGWIRHEBKESNB-TZMCWYRMSA-N 2 0 397.313 2.794 20 0 GFADRP O=C(Nc1ccccc1Br)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000925891653 664676813 /nfs/dbraw/zinc/67/68/13/664676813.db2.gz VLUMECKHSHPYEF-GASCZTMLSA-N 2 0 393.329 2.882 20 0 GFADRP Clc1nc2c(c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n1)CC[NH2+]C2 ZINC001164628641 719062067 /nfs/dbraw/zinc/06/20/67/719062067.db2.gz SZZWFHIJQHDZCB-QFBILLFUSA-N 2 0 383.927 2.877 20 0 GFADRP Cc1noc([C@@H]2C[C@H]3CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@@H]3O2)n1 ZINC001164656758 719301186 /nfs/dbraw/zinc/30/11/86/719301186.db2.gz YPWDGYVUFDUHSK-MNEFBYGVSA-N 2 0 399.495 2.603 20 0 GFADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3c1CC[NH2+]C3)[C@H]2C ZINC001164861612 720993769 /nfs/dbraw/zinc/99/37/69/720993769.db2.gz QAXPNWKFGUGHOW-AWEZNQCLSA-N 2 0 388.947 2.999 20 0 GFADRP Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164899337 721514500 /nfs/dbraw/zinc/51/45/00/721514500.db2.gz KVHBNNOMFQLBDH-AZUAARDMSA-N 2 0 397.498 2.866 20 0 GFADRP Cn1ccc2c1cc[nH+]c2N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164804377 721540643 /nfs/dbraw/zinc/54/06/43/721540643.db2.gz JPDUGBLUHGEAMZ-NJYVYQBISA-N 2 0 377.492 2.837 20 0 GFADRP Cc1nc2c(s1)[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC2 ZINC000359894480 209199593 /nfs/dbraw/zinc/19/95/93/209199593.db2.gz GBQQKOWVTSTCSX-QGZVFWFLSA-N 2 0 381.590 2.744 20 0 GFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000359870598 209197855 /nfs/dbraw/zinc/19/78/55/209197855.db2.gz IYMNXGOFLDVXJM-VYDXJSESSA-N 2 0 387.446 2.958 20 0 GFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000178778285 552175021 /nfs/dbraw/zinc/17/50/21/552175021.db2.gz BUBYLMDZIWHQBO-LJQANCHMSA-N 2 0 380.374 2.924 20 0 GFADRP Brc1csc(CN2CCC(c3nnc4n3CCNC4)CC2)c1 ZINC000261616583 553154085 /nfs/dbraw/zinc/15/40/85/553154085.db2.gz AVOZCSFDLHTODC-UHFFFAOYSA-N 2 0 382.331 2.585 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000261739176 553157555 /nfs/dbraw/zinc/15/75/55/553157555.db2.gz LQWZTWMUKJLAKJ-BEFAXECRSA-N 2 0 394.357 2.957 20 0 GFADRP C[C@]([NH3+])(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Br)cc1 ZINC000261761054 553158749 /nfs/dbraw/zinc/15/87/49/553158749.db2.gz NMFUMXDIGGIBTB-CRAIPNDOSA-N 2 0 380.330 2.756 20 0 GFADRP O=C(N[C@@H]1CC[NH2+]C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418360590 563216445 /nfs/dbraw/zinc/21/64/45/563216445.db2.gz GDVKIKOTZUEQIW-OAHLLOKOSA-N 2 0 385.339 2.963 20 0 GFADRP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000418597960 563220652 /nfs/dbraw/zinc/22/06/52/563220652.db2.gz IDTIYPGFTIVMSK-RHSMWYFYSA-N 2 0 397.361 2.663 20 0 GFADRP CC[NH2+][C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418590267 563220911 /nfs/dbraw/zinc/22/09/11/563220911.db2.gz KGWXLMRLPUMIJL-CQSZACIVSA-N 2 0 385.350 2.520 20 0 GFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000370486058 563245443 /nfs/dbraw/zinc/24/54/43/563245443.db2.gz VOHCDPXMWODYHX-BPQIPLTHSA-N 2 0 399.377 2.905 20 0 GFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422733239 563348235 /nfs/dbraw/zinc/34/82/35/563348235.db2.gz QQGGYMRWPMFVGZ-GFCCVEGCSA-N 2 0 391.313 2.692 20 0 GFADRP Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422700830 563348304 /nfs/dbraw/zinc/34/83/04/563348304.db2.gz ASXYXWXRFIUYCN-UOVPBQLFSA-N 2 0 394.357 2.775 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000422953208 563351634 /nfs/dbraw/zinc/35/16/34/563351634.db2.gz DZRBHFLYXNILCS-LBPRGKRZSA-N 2 0 387.293 2.999 20 0 GFADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Br ZINC000423383564 563360117 /nfs/dbraw/zinc/36/01/17/563360117.db2.gz JNFHVCSJBYOZNT-SMDDNHRTSA-N 2 0 380.252 2.936 20 0 GFADRP COCC1(C[NH2+][C@@H](C)c2ccc(I)cc2)CC[NH2+]CC1 ZINC000423394184 563360362 /nfs/dbraw/zinc/36/03/62/563360362.db2.gz PZVMTALTFQHYOR-ZDUSSCGKSA-N 2 0 388.293 2.958 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCc2sc(Br)cc21)N1CC[NH2+]CC1 ZINC000423404973 563360561 /nfs/dbraw/zinc/36/05/61/563360561.db2.gz YNTWQLQAFWALPH-ZYHUDNBSSA-N 2 0 398.292 2.924 20 0 GFADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429880025 563527368 /nfs/dbraw/zinc/52/73/68/563527368.db2.gz NAJCZBIYPNEAAC-UHFFFAOYSA-N 2 0 394.368 2.640 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000433127047 563604033 /nfs/dbraw/zinc/60/40/33/563604033.db2.gz GCYMMJVDQCQBDT-UHFFFAOYSA-N 2 0 375.847 2.761 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc3cccc(Br)c3n2)CC1 ZINC000433129899 563604225 /nfs/dbraw/zinc/60/42/25/563604225.db2.gz PRVZIMLOEKFCPN-UHFFFAOYSA-N 2 0 391.313 3.139 20 0 GFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC1=Cc2cc(Br)ccc2OC1 ZINC000289554717 563678651 /nfs/dbraw/zinc/67/86/51/563678651.db2.gz YAIDBNKACJGJBI-UHFFFAOYSA-N 2 0 394.357 2.794 20 0 GFADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000414065344 563717223 /nfs/dbraw/zinc/71/72/23/563717223.db2.gz OGSGSNYBQUQQMJ-AWEZNQCLSA-N 2 0 378.314 2.851 20 0 GFADRP COCC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000414981845 563756209 /nfs/dbraw/zinc/75/62/09/563756209.db2.gz XOHCVYWFLFJDIC-AWEZNQCLSA-N 2 0 398.345 2.772 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000449597166 564191186 /nfs/dbraw/zinc/19/11/86/564191186.db2.gz DFMAITUSRKIQTN-LESCRADOSA-N 2 0 399.373 2.929 20 0 GFADRP C[C@H]([NH2+]CCC(F)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540187374 564240481 /nfs/dbraw/zinc/24/04/81/564240481.db2.gz XLVVQXMFXWPHFY-ZDUSSCGKSA-N 2 0 381.464 2.520 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)Cc1c(F)cccc1Cl ZINC000450965977 564257164 /nfs/dbraw/zinc/25/71/64/564257164.db2.gz FONUFLPWFIHBAD-UHFFFAOYSA-N 2 0 393.956 2.514 20 0 GFADRP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000565885974 564300505 /nfs/dbraw/zinc/30/05/05/564300505.db2.gz CZOUIAQTUMKHAE-LBPRGKRZSA-N 2 0 378.929 2.854 20 0 GFADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232108 564454292 /nfs/dbraw/zinc/45/42/92/564454292.db2.gz JYELKKIIMJZPIL-GOEBONIOSA-N 2 0 391.339 2.824 20 0 GFADRP O=C(CC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)N1CC[NH2+]CC1 ZINC000516066021 564492125 /nfs/dbraw/zinc/49/21/25/564492125.db2.gz FNCLZJXZYZIQGP-SFHVURJKSA-N 2 0 380.330 2.702 20 0 GFADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000481061580 564502632 /nfs/dbraw/zinc/50/26/32/564502632.db2.gz PFUQWQHGSDOEHR-WMZOPIPTSA-N 2 0 384.615 2.868 20 0 GFADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCSC1 ZINC000481232504 564506717 /nfs/dbraw/zinc/50/67/17/564506717.db2.gz NTPKZQJBNBTTOS-CRAIPNDOSA-N 2 0 382.599 2.622 20 0 GFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000570827338 564523215 /nfs/dbraw/zinc/52/32/15/564523215.db2.gz QLVNXCUFXCGVLR-KGLIPLIRSA-N 2 0 389.359 2.861 20 0 GFADRP O=S1(=O)CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cc(Br)ccc21 ZINC000573831167 564656233 /nfs/dbraw/zinc/65/62/33/564656233.db2.gz UOPWFMWTBPXOLD-CWRNSKLLSA-N 2 0 399.354 2.645 20 0 GFADRP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000574069973 564667222 /nfs/dbraw/zinc/66/72/22/564667222.db2.gz NQIHYEDPQSVUQP-RCCFBDPRSA-N 2 0 385.961 2.519 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000552088668 564676189 /nfs/dbraw/zinc/67/61/89/564676189.db2.gz OYMTUZTZXVZBNZ-YRGRVCCFSA-N 2 0 394.368 2.590 20 0 GFADRP C[C@H]1C[N@H+](CCOc2cccc(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490983272 564784444 /nfs/dbraw/zinc/78/44/44/564784444.db2.gz BTXZGERAXIQFHY-LPHOPBHVSA-N 2 0 396.373 2.786 20 0 GFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000582296310 564839554 /nfs/dbraw/zinc/83/95/54/564839554.db2.gz DNLFXTHCFIPMFP-OAGGEKHMSA-N 2 0 389.309 2.790 20 0 GFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc2ccc(Br)cc2o1 ZINC000463118523 564869538 /nfs/dbraw/zinc/86/95/38/564869538.db2.gz YEJWBSMFMPPFMP-UHFFFAOYSA-N 2 0 381.318 2.660 20 0 GFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000583644292 564900550 /nfs/dbraw/zinc/90/05/50/564900550.db2.gz XPUZZJMOKWOJJQ-DOTOQJQBSA-N 2 0 380.374 2.922 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1C ZINC000531381810 564908770 /nfs/dbraw/zinc/90/87/70/564908770.db2.gz BGARLSIFCAOAGX-HYVNUMGLSA-N 2 0 385.346 2.993 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000584173255 564924486 /nfs/dbraw/zinc/92/44/86/564924486.db2.gz GADJOBBFBSJRMF-HOTGVXAUSA-N 2 0 394.357 2.729 20 0 GFADRP CN1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638682105 565206451 /nfs/dbraw/zinc/20/64/51/565206451.db2.gz QKYGCMOGZQCURH-ROUUACIJSA-N 2 0 396.373 2.631 20 0 GFADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698713 565382226 /nfs/dbraw/zinc/38/22/26/565382226.db2.gz LNDSLEBNODYAGW-MRXNPFEDSA-N 2 0 375.460 2.618 20 0 GFADRP O=S1(=O)CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2cc(Br)ccc21 ZINC000643510613 565434328 /nfs/dbraw/zinc/43/43/28/565434328.db2.gz ZDDIILWJYQHBJD-DOMZBBRYSA-N 2 0 387.343 2.647 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595005469 565440750 /nfs/dbraw/zinc/44/07/50/565440750.db2.gz ZRJLEAOXRFLXJD-QGZVFWFLSA-N 2 0 399.320 2.506 20 0 GFADRP CC(C)(C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000644631944 565486132 /nfs/dbraw/zinc/48/61/32/565486132.db2.gz GSHWRVTXXMIUFS-MRXNPFEDSA-N 2 0 385.346 2.900 20 0 GFADRP CN(CCC[NH2+]Cc1ccc(Br)c2cccnc12)CC[NH+](C)C ZINC000623087970 565495539 /nfs/dbraw/zinc/49/55/39/565495539.db2.gz RAOYKTZUFKDONN-UHFFFAOYSA-N 2 0 379.346 2.970 20 0 GFADRP CC[C@H](CCc1ccc(Br)cc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290609 565496184 /nfs/dbraw/zinc/49/61/84/565496184.db2.gz DWLOGVZAKCBIPO-CQSZACIVSA-N 2 0 379.302 2.904 20 0 GFADRP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1c1cccc(Br)c1 ZINC000647795258 565676724 /nfs/dbraw/zinc/67/67/24/565676724.db2.gz MNASOFVIOHPPPB-YOKBYHGQSA-N 2 0 378.314 2.532 20 0 GFADRP CS(=O)(=O)c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C(F)(F)F)c1 ZINC000647796583 565677209 /nfs/dbraw/zinc/67/72/09/565677209.db2.gz FPTOIYZOMCLDMA-UMVBOHGHSA-N 2 0 376.444 2.587 20 0 GFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(I)s1 ZINC000602549533 565854258 /nfs/dbraw/zinc/85/42/58/565854258.db2.gz DJATWFCZUUKXMB-LBPRGKRZSA-N 2 0 394.322 2.679 20 0 GFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631066170 565936798 /nfs/dbraw/zinc/93/67/98/565936798.db2.gz ZMONTLFZITYTCG-UHFFFAOYSA-N 2 0 389.769 2.861 20 0 GFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631084631 565940527 /nfs/dbraw/zinc/94/05/27/565940527.db2.gz VUEHGMOTYWWIJM-UHFFFAOYSA-N 2 0 375.742 2.613 20 0 GFADRP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000736135116 598285985 /nfs/dbraw/zinc/28/59/85/598285985.db2.gz MYTKMVMTPMVOQI-OAHLLOKOSA-N 2 0 395.486 2.608 20 0 GFADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)C[C@H](C)O1 ZINC000820759103 606210110 /nfs/dbraw/zinc/21/01/10/606210110.db2.gz HDZJVTDKFDOYND-GASCZTMLSA-N 2 0 398.536 2.827 20 0 GFADRP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820411255 607209277 /nfs/dbraw/zinc/20/92/77/607209277.db2.gz HNLLSXIPMJKOGL-UTKZUKDTSA-N 2 0 391.523 2.506 20 0 GFADRP C[C@H](C[NH2+][C@@H](c1nc(Br)cs1)C1CC1)CN1CC[NH+](C)CC1 ZINC000817577116 660201203 /nfs/dbraw/zinc/20/12/03/660201203.db2.gz DOAGDHWYNBDGBD-IUODEOHRSA-N 2 0 387.391 2.830 20 0 GFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2nc(Br)cs2)CC1 ZINC000834566511 660825099 /nfs/dbraw/zinc/82/50/99/660825099.db2.gz OAGPPLYSOXKFPY-OLZOCXBDSA-N 2 0 375.380 2.830 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(Br)ccc1F ZINC000048402260 654706230 /nfs/dbraw/zinc/70/62/30/654706230.db2.gz YYLYJEYXLDYLDY-UHFFFAOYSA-N 2 0 388.325 2.934 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(Br)c1 ZINC000132545274 654940965 /nfs/dbraw/zinc/94/09/65/654940965.db2.gz HEOGGEWNTSQYKL-UHFFFAOYSA-N 2 0 375.286 2.545 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000119361678 655300744 /nfs/dbraw/zinc/30/07/44/655300744.db2.gz SODCTSMTCMSWEW-WBVHZDCISA-N 2 0 387.615 2.641 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000119371008 655301265 /nfs/dbraw/zinc/30/12/65/655301265.db2.gz MXQWZTGRNODPPO-ZMSDIMECSA-N 2 0 387.615 2.639 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000265859403 655492139 /nfs/dbraw/zinc/49/21/39/655492139.db2.gz JOZKCXFFPYBNSF-UHFFFAOYSA-N 2 0 379.245 2.597 20 0 GFADRP [NH3+]CCCCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000579107003 655494030 /nfs/dbraw/zinc/49/40/30/655494030.db2.gz AJPNIFRAOZVHBP-UHFFFAOYSA-N 2 0 398.345 2.538 20 0 GFADRP NC1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000841104397 661233278 /nfs/dbraw/zinc/23/32/78/661233278.db2.gz QEMMSMKCXMRFSQ-CEXWTWQISA-N 2 0 377.623 2.949 20 0 GFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842678039 661348646 /nfs/dbraw/zinc/34/86/46/661348646.db2.gz RZKCQPHOOQHBOA-UHFFFAOYSA-N 2 0 389.769 2.861 20 0 GFADRP [NH3+][C@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cccc(Br)c1 ZINC000867986144 662590675 /nfs/dbraw/zinc/59/06/75/662590675.db2.gz XXMKDFVLBUBRNV-SJORKVTESA-N 2 0 390.281 2.749 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c(ccnc3Cl)s2)C[C@H]1C[NH+](C)C ZINC000870016083 662671285 /nfs/dbraw/zinc/67/12/85/662671285.db2.gz BJZXTERUMYBHPR-CHWSQXEVSA-N 2 0 380.945 2.761 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)CSCc2cccc(Cl)c2)C[C@H]1C[NH+](C)C ZINC000870024890 662671603 /nfs/dbraw/zinc/67/16/03/662671603.db2.gz WCZNQGHCKKFJIQ-IAGOWNOFSA-N 2 0 383.989 2.771 20 0 GFADRP Cc1c(Br)cccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022229 662671628 /nfs/dbraw/zinc/67/16/28/662671628.db2.gz ZIRCRXBBCCWXFG-HUUCEWRRSA-N 2 0 382.346 2.569 20 0 GFADRP [NH3+][C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000870945905 662710583 /nfs/dbraw/zinc/71/05/83/662710583.db2.gz OYQBOOBAZOFQTM-BBWFWOEESA-N 2 0 392.272 2.541 20 0 GFADRP C[C@@H]([NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000873268415 662804817 /nfs/dbraw/zinc/80/48/17/662804817.db2.gz CGOHVZDAAXDKKO-ZJUUUORDSA-N 2 0 380.341 2.680 20 0 GFADRP CCOP(=O)(CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)OCC ZINC000876781573 662866246 /nfs/dbraw/zinc/86/62/46/662866246.db2.gz IBKZSSXYDSFCSM-QZTJIDSGSA-N 2 0 375.494 2.600 20 0 GFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)c1ccc(Br)cc1 ZINC000878287398 662893156 /nfs/dbraw/zinc/89/31/56/662893156.db2.gz AYPGDCVHJSLMPN-OWSLCNJRSA-N 2 0 383.330 2.666 20 0 GFADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000892541824 663376906 /nfs/dbraw/zinc/37/69/06/663376906.db2.gz HGTRRJUNSJPTIO-UHFFFAOYSA-N 2 0 397.361 2.523 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000893326013 663407506 /nfs/dbraw/zinc/40/75/06/663407506.db2.gz AJMQYVFSEPMFJA-UHFFFAOYSA-N 2 0 397.361 2.525 20 0 GFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c(I)cnn1C ZINC000894181077 663447119 /nfs/dbraw/zinc/44/71/19/663447119.db2.gz UKHMWQSCHRBQTH-ZDUSSCGKSA-N 2 0 390.313 2.769 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+]CC2CC[NH+](C)CC2)cc1Br ZINC000894751754 663479670 /nfs/dbraw/zinc/47/96/70/663479670.db2.gz YSLVDSUIOUWGHM-INIZCTEOSA-N 2 0 385.346 2.540 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496602 663785715 /nfs/dbraw/zinc/78/57/15/663785715.db2.gz VKILWPMTMAUWFM-IIAWOOMASA-N 2 0 382.346 2.713 20 0 GFADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC2(c3ccccc3Br)CC2)cnn1C ZINC000903922968 663811640 /nfs/dbraw/zinc/81/16/40/663811640.db2.gz IMIOKCRUVCJWCK-HNNXBMFYSA-N 2 0 391.357 2.930 20 0 GFADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903923037 663811977 /nfs/dbraw/zinc/81/19/77/663811977.db2.gz KASBQEAEECSEMY-TZMCWYRMSA-N 2 0 396.308 2.825 20 0 GFADRP Brc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903924726 663811992 /nfs/dbraw/zinc/81/19/92/663811992.db2.gz IEHHBPORWAKKQX-WMLDXEAASA-N 2 0 376.302 2.742 20 0 GFADRP [NH3+]CCN1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000904363038 663831284 /nfs/dbraw/zinc/83/12/84/663831284.db2.gz WIGLQHDZUAIPGB-UHFFFAOYSA-N 2 0 378.261 2.563 20 0 GFADRP CCc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1Br ZINC000913436929 664337258 /nfs/dbraw/zinc/33/72/58/664337258.db2.gz ODDMVFUENLHPOV-IAGOWNOFSA-N 2 0 396.373 2.823 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cscc1C(F)F ZINC000913832314 664360216 /nfs/dbraw/zinc/36/02/16/664360216.db2.gz QQGGKPMNCHBXDE-UHFFFAOYSA-N 2 0 383.530 2.580 20 0 GFADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923355227 664628926 /nfs/dbraw/zinc/62/89/26/664628926.db2.gz HZHAAJYEXVYYPN-DOMZBBRYSA-N 2 0 377.710 2.513 20 0 GFADRP O[C@@H](CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000923431477 664630387 /nfs/dbraw/zinc/63/03/87/664630387.db2.gz QJFKEOSPGOQAPF-FCEWJHQRSA-N 2 0 384.351 2.927 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000923445015 664630694 /nfs/dbraw/zinc/63/06/94/664630694.db2.gz WREWUQBLXXRENG-ZIAGYGMSSA-N 2 0 389.323 2.563 20 0 GFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1nc(Br)ccc1F ZINC000925043475 664665994 /nfs/dbraw/zinc/66/59/94/664665994.db2.gz YQNRINDRSSFSAY-STQMWFEESA-N 2 0 385.325 2.802 20 0 GFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000925581799 664673456 /nfs/dbraw/zinc/67/34/56/664673456.db2.gz VHVWUNUGZIBYPU-FFMGESDNSA-N 2 0 376.302 2.840 20 0 GFADRP O=C1O[C@H](C[NH2+][C@H]2CCc3sc(Br)cc32)CC12CC[NH2+]CC2 ZINC000925852026 664676037 /nfs/dbraw/zinc/67/60/37/664676037.db2.gz ZAIGHVPEDQONRA-JQWIXIFHSA-N 2 0 385.327 2.773 20 0 GFADRP CSC[C@@H]1CCC[NH+]([C@H](C)CNC(=O)C[N@H+]2CCC[C@@H](CSC)C2)C1 ZINC000930561069 664773368 /nfs/dbraw/zinc/77/33/68/664773368.db2.gz TZPUVWDAPUUSJY-KZNAEPCWSA-N 2 0 387.659 2.641 20 0 GFADRP C[NH+](C)CC1(O)CC[NH+](CCCCOc2ccc(Br)cc2)CC1 ZINC000931479395 664795965 /nfs/dbraw/zinc/79/59/65/664795965.db2.gz QCBGFPGNJGPJSJ-UHFFFAOYSA-N 2 0 385.346 2.997 20 0 GFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164815217 720197689 /nfs/dbraw/zinc/19/76/89/720197689.db2.gz XDQHSKWZBPZHGI-GGAORHGYSA-N 2 0 384.568 2.862 20 0 GFADRP COC[C@@]12CCCO[C@H]1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164849847 720828596 /nfs/dbraw/zinc/82/85/96/720828596.db2.gz RFGAEFPNLGLAAD-FPOVZHCZSA-N 2 0 375.513 2.577 20 0 GFADRP c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[N@@H+]3C2)c1 ZINC001164871005 721138117 /nfs/dbraw/zinc/13/81/17/721138117.db2.gz CVYPUTMJCOAHRT-YADHBBJMSA-N 2 0 393.535 2.552 20 0 GFADRP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2cccc(N4CCOCC4)[nH+]2)CC3)c1 ZINC001164956228 722020430 /nfs/dbraw/zinc/02/04/30/722020430.db2.gz ZJBFITHDOLQJCL-UHFFFAOYSA-N 2 0 393.535 2.806 20 0 GFADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(N4CC[NH2+]CC4)cn2)C3)c1 ZINC001164997174 722206238 /nfs/dbraw/zinc/20/62/38/722206238.db2.gz WRIAMQYMNGHMKW-HSZRJFAPSA-N 2 0 395.526 2.875 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000155095226 551491155 /nfs/dbraw/zinc/49/11/55/551491155.db2.gz AOTFLFDWPCICKZ-KGLIPLIRSA-N 2 0 387.309 2.578 20 0 GFADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000171658225 551660430 /nfs/dbraw/zinc/66/04/30/551660430.db2.gz ASLINZQDJXNTEQ-UHFFFAOYSA-N 2 0 388.339 2.762 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccc(Br)cc1 ZINC000261935954 553163008 /nfs/dbraw/zinc/16/30/08/553163008.db2.gz CLKXEHOAVFXHFD-SFHVURJKSA-N 2 0 380.330 2.614 20 0 GFADRP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261970167 553163463 /nfs/dbraw/zinc/16/34/63/553163463.db2.gz YWQXSCBPFVYYCR-YOEHRIQHSA-N 2 0 380.330 2.529 20 0 GFADRP O=S(=O)(NCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423096401 563355140 /nfs/dbraw/zinc/35/51/40/563355140.db2.gz HQZIVWKBOPIACX-OIISXLGYSA-N 2 0 385.961 2.519 20 0 GFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423109830 563355371 /nfs/dbraw/zinc/35/53/71/563355371.db2.gz VCSIMVOAHQOJLV-CVEARBPZSA-N 2 0 387.977 2.909 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+]C2CCC(C[NH3+])CC2)cc1Br ZINC000423153516 563357196 /nfs/dbraw/zinc/35/71/96/563357196.db2.gz HMGWGVGJPBQZHX-SIWZUTFBSA-N 2 0 385.346 2.716 20 0 GFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423317494 563359214 /nfs/dbraw/zinc/35/92/14/563359214.db2.gz BNWNCNHMZUEDMR-JTQLQIEISA-N 2 0 380.341 2.681 20 0 GFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423445473 563361319 /nfs/dbraw/zinc/36/13/19/563361319.db2.gz XWJZEMBIESYJGS-RISCZKNCSA-N 2 0 375.332 2.775 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2cc(Br)ccc2F)C2CC2)C1 ZINC000414726792 563750749 /nfs/dbraw/zinc/75/07/49/563750749.db2.gz ADQLYLMMBYVSSR-ZDUSSCGKSA-N 2 0 398.320 2.750 20 0 GFADRP C[N@@H+](Cc1cc(Br)ccc1Cl)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414748956 563751831 /nfs/dbraw/zinc/75/18/31/563751831.db2.gz VMAOCXCWLVWEFK-GFCCVEGCSA-N 2 0 388.737 2.732 20 0 GFADRP C[N@@H+](Cc1ccc(Br)cc1Cl)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414739949 563751905 /nfs/dbraw/zinc/75/19/05/563751905.db2.gz CLYSKVMGXSVKMT-LBPRGKRZSA-N 2 0 388.737 2.732 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000414739944 563752159 /nfs/dbraw/zinc/75/21/59/563752159.db2.gz CLUISXSJZZXWEN-HNNXBMFYSA-N 2 0 394.357 2.826 20 0 GFADRP COCC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC[NH2+]CC1 ZINC000414975913 563756072 /nfs/dbraw/zinc/75/60/72/563756072.db2.gz OSVNHOCZNBLSIQ-AWEZNQCLSA-N 2 0 398.345 2.772 20 0 GFADRP Fc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(Br)c1 ZINC000414995736 563756330 /nfs/dbraw/zinc/75/63/30/563756330.db2.gz WIWLHHAKNTUVCE-ZDUSSCGKSA-N 2 0 384.215 2.514 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)cc1Cl ZINC000508076685 564252765 /nfs/dbraw/zinc/25/27/65/564252765.db2.gz BVWHIZJFZMWEIX-INIZCTEOSA-N 2 0 387.977 2.685 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000453375062 564455750 /nfs/dbraw/zinc/45/57/50/564455750.db2.gz OVLRKAWOPWJRJP-KEYYUXOJSA-N 2 0 385.346 2.539 20 0 GFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1I ZINC000480166591 564462481 /nfs/dbraw/zinc/46/24/81/564462481.db2.gz KFMQRPGTBJTVAP-CQSZACIVSA-N 2 0 387.309 2.579 20 0 GFADRP C[C@H](C(=O)N(CCn1ccnc1)Cc1ccc(Br)o1)N1CC(C)C1 ZINC000572255696 564587286 /nfs/dbraw/zinc/58/72/86/564587286.db2.gz RUXFWILJYJYBEB-CQSZACIVSA-N 2 0 395.301 2.608 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549709463 564602248 /nfs/dbraw/zinc/60/22/48/564602248.db2.gz DXAWLLNEWQUKIP-KRWDZBQOSA-N 2 0 380.374 2.924 20 0 GFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOc3cccc(Br)c3)C2)CC1 ZINC000525779434 564708325 /nfs/dbraw/zinc/70/83/25/564708325.db2.gz JYEJUCACBJRMOQ-SFHVURJKSA-N 2 0 396.373 2.928 20 0 GFADRP COC(=O)C[C@@](C)([NH2+]CCc1cncn1C)c1ccc(Br)cc1 ZINC000459490335 564747101 /nfs/dbraw/zinc/74/71/01/564747101.db2.gz VDFWHZXMVAVVES-QGZVFWFLSA-N 2 0 380.286 2.793 20 0 GFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527641693 564752795 /nfs/dbraw/zinc/75/27/95/564752795.db2.gz XKKHYBHRKUVTQI-GFCCVEGCSA-N 2 0 376.289 2.843 20 0 GFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581484240 564804654 /nfs/dbraw/zinc/80/46/54/564804654.db2.gz YSNNJXJJVIMYJA-BBRMVZONSA-N 2 0 389.309 2.649 20 0 GFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000493977710 564815245 /nfs/dbraw/zinc/81/52/45/564815245.db2.gz PBPUFQFTVRRIRD-KLHKWILBSA-N 2 0 394.357 2.872 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000531118850 564901823 /nfs/dbraw/zinc/90/18/23/564901823.db2.gz IUJJTGMKSAQZAE-UHFFFAOYSA-N 2 0 382.961 2.834 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)s1 ZINC000499511993 564929630 /nfs/dbraw/zinc/92/96/30/564929630.db2.gz CWCKOHHQQCVJFL-ZDUSSCGKSA-N 2 0 388.375 2.999 20 0 GFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000639056215 565222872 /nfs/dbraw/zinc/22/28/72/565222872.db2.gz BBCLMSNDDHBBLH-CYBMUJFWSA-N 2 0 381.318 2.706 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000663504627 565424380 /nfs/dbraw/zinc/42/43/80/565424380.db2.gz ZIAQDFVIXCPXFT-UHFFFAOYSA-N 2 0 386.309 2.668 20 0 GFADRP CN(CCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)CC[NH+](C)C ZINC000623088586 565495380 /nfs/dbraw/zinc/49/53/80/565495380.db2.gz UEWOCLGYUPAPPS-UHFFFAOYSA-N 2 0 394.361 2.608 20 0 GFADRP Ic1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595885281 565496394 /nfs/dbraw/zinc/49/63/94/565496394.db2.gz LRTHWBGIYBYKDA-XJKSGUPXSA-N 2 0 398.288 2.949 20 0 GFADRP O=C(NCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000647788854 565675580 /nfs/dbraw/zinc/67/55/80/565675580.db2.gz SUYFMKPGULGHSX-BFYDXBDKSA-N 2 0 380.330 2.547 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(Cl)c(Cl)c1 ZINC000627099433 565721446 /nfs/dbraw/zinc/72/14/46/565721446.db2.gz QHZUFDNDKBCNFR-OLZOCXBDSA-N 2 0 383.270 2.878 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000627220105 565727502 /nfs/dbraw/zinc/72/75/02/565727502.db2.gz LWNVZXJSOSCARZ-JLZZUVOBSA-N 2 0 385.339 2.990 20 0 GFADRP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000649411766 565760391 /nfs/dbraw/zinc/76/03/91/565760391.db2.gz AAQXQAZMBCYHAM-GJZGRUSLSA-N 2 0 395.345 2.884 20 0 GFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc4c(cc3Br)OCO4)C2)C1 ZINC000650705962 565833187 /nfs/dbraw/zinc/83/31/87/565833187.db2.gz BCUZVLDMNJRXBN-JGGQBBKZSA-N 2 0 397.313 2.896 20 0 GFADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361697 565924359 /nfs/dbraw/zinc/92/43/59/565924359.db2.gz MQBKAFNWIBRWGK-NUEKZKHPSA-N 2 0 385.961 2.721 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679340560 566037738 /nfs/dbraw/zinc/03/77/38/566037738.db2.gz FDNLTIMERGHHKI-LZQZEXGQSA-N 2 0 396.373 2.895 20 0 GFADRP [NH3+][C@@H](c1cn(CCC[NH+]2CCSCC2)nn1)c1ccc(Br)cc1 ZINC000656450491 566126726 /nfs/dbraw/zinc/12/67/26/566126726.db2.gz WDQOQZVIZKWFRG-MRXNPFEDSA-N 2 0 396.358 2.528 20 0 GFADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821808325 599428549 /nfs/dbraw/zinc/42/85/49/599428549.db2.gz DLPTVRHUMXFKIA-IBGZPJMESA-N 2 0 392.507 2.530 20 0 GFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000736530224 599482649 /nfs/dbraw/zinc/48/26/49/599482649.db2.gz GNDZPYIQDRJOHY-UHFFFAOYSA-N 2 0 390.495 2.646 20 0 GFADRP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000824763251 609142532 /nfs/dbraw/zinc/14/25/32/609142532.db2.gz LZIXGRSHYWMYAJ-QGZVFWFLSA-N 2 0 384.528 2.752 20 0 GFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824577506 609340904 /nfs/dbraw/zinc/34/09/04/609340904.db2.gz LFRYWIMOMMVMHB-CQSZACIVSA-N 2 0 381.459 2.968 20 0 GFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576508 660201242 /nfs/dbraw/zinc/20/12/42/660201242.db2.gz SUIGDTVKARBHFE-SWLSCSKDSA-N 2 0 387.391 2.972 20 0 GFADRP COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1S(=O)(=O)C(F)F ZINC000817961384 660212438 /nfs/dbraw/zinc/21/24/38/660212438.db2.gz XYHWEHUMCITFHU-FPMFFAJLSA-N 2 0 376.469 2.860 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1F ZINC000060348667 654828038 /nfs/dbraw/zinc/82/80/38/654828038.db2.gz ZRONXMWSHVEKHT-HNNXBMFYSA-N 2 0 391.940 2.516 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000838673320 661053421 /nfs/dbraw/zinc/05/34/21/661053421.db2.gz XETDSAIAZBARJO-GOEBONIOSA-N 2 0 379.376 2.628 20 0 GFADRP C[NH+](C)CCN1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000102421393 655055129 /nfs/dbraw/zinc/05/51/29/655055129.db2.gz TWTVJXYQGTXTGZ-UHFFFAOYSA-N 2 0 394.357 2.841 20 0 GFADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cc(Br)ncc1F)N1CC[NH+](C)CC1 ZINC000273831752 655160195 /nfs/dbraw/zinc/16/01/95/655160195.db2.gz GDIPPXKCANPLBG-CZUORRHYSA-N 2 0 387.341 2.906 20 0 GFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000839639423 661097640 /nfs/dbraw/zinc/09/76/40/661097640.db2.gz JCDCXQXQIFHFAV-LJQANCHMSA-N 2 0 398.389 2.830 20 0 GFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000274672968 655196700 /nfs/dbraw/zinc/19/67/00/655196700.db2.gz YJBNTRBYWPKNTJ-DNVCBOLYSA-N 2 0 380.374 2.922 20 0 GFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000578523327 655481094 /nfs/dbraw/zinc/48/10/94/655481094.db2.gz XPQBPDJWVXPHAD-YPMHNXCESA-N 2 0 379.726 2.772 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(Cl)sc1Cl ZINC000847418784 661591675 /nfs/dbraw/zinc/59/16/75/661591675.db2.gz KHZDMIGBFRLULO-NSHDSACASA-N 2 0 379.357 2.938 20 0 GFADRP COc1ccc(NC(=S)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1Cl ZINC000865245319 662407601 /nfs/dbraw/zinc/40/76/01/662407601.db2.gz JAPMFBSVUBFKBQ-ZIAGYGMSSA-N 2 0 384.977 2.717 20 0 GFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cccnc2Br)CC1 ZINC000865484005 662424583 /nfs/dbraw/zinc/42/45/83/662424583.db2.gz CASBFNWGOXSBSL-UHFFFAOYSA-N 2 0 397.361 2.560 20 0 GFADRP Cc1cc(C)c(Br)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870019878 662671352 /nfs/dbraw/zinc/67/13/52/662671352.db2.gz UOMNHYUMKDWYAS-HZPDHXFCSA-N 2 0 396.373 2.877 20 0 GFADRP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)cc1Br ZINC000870021450 662671616 /nfs/dbraw/zinc/67/16/16/662671616.db2.gz GALUJYHDKNLYED-HZPDHXFCSA-N 2 0 396.373 2.877 20 0 GFADRP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1Br ZINC000870021385 662671622 /nfs/dbraw/zinc/67/16/22/662671622.db2.gz DTUCQWDXCPLAGL-HZPDHXFCSA-N 2 0 382.346 2.569 20 0 GFADRP COc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)ccc1S(=O)(=O)C(F)F ZINC000873240008 662804535 /nfs/dbraw/zinc/80/45/35/662804535.db2.gz ICOVLACCHJTBEG-OBJOEFQTSA-N 2 0 376.469 2.860 20 0 GFADRP COc1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1Br ZINC000877668643 662881378 /nfs/dbraw/zinc/88/13/78/662881378.db2.gz LVSKKDGSQYBINW-HZPDHXFCSA-N 2 0 384.362 2.629 20 0 GFADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)c1cccs1 ZINC000884177731 663066521 /nfs/dbraw/zinc/06/65/21/663066521.db2.gz RMBBTCLIIGGJBL-DZGCQCFKSA-N 2 0 382.327 2.930 20 0 GFADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000884328500 663069158 /nfs/dbraw/zinc/06/91/58/663069158.db2.gz RHXMCUNAPSMKQE-OLMNPRSZSA-N 2 0 392.341 2.924 20 0 GFADRP [NH3+][C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000884420610 663070475 /nfs/dbraw/zinc/07/04/75/663070475.db2.gz YKJSEMYOIJSLDD-QGZVFWFLSA-N 2 0 380.330 2.687 20 0 GFADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000893105064 663396596 /nfs/dbraw/zinc/39/65/96/663396596.db2.gz CFUZPOCYAXHHNE-UHFFFAOYSA-N 2 0 398.345 2.732 20 0 GFADRP Brc1ccc(C2(c3nc([C@H]4CCC[NH2+]4)no3)CC[NH2+]CC2)cc1 ZINC000900010167 663706484 /nfs/dbraw/zinc/70/64/84/663706484.db2.gz PBJDFDCBHBUOCE-CQSZACIVSA-N 2 0 377.286 2.926 20 0 GFADRP Brc1ccccc1C1(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903923168 663811932 /nfs/dbraw/zinc/81/19/32/663811932.db2.gz NDPBBADXUQDFTH-CQSZACIVSA-N 2 0 390.329 2.787 20 0 GFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000903978881 663814639 /nfs/dbraw/zinc/81/46/39/663814639.db2.gz ODRGHCLSEJSLRL-HUUCEWRRSA-N 2 0 382.346 2.621 20 0 GFADRP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396745 663832788 /nfs/dbraw/zinc/83/27/88/663832788.db2.gz PCFGLMBXADOELX-UHFFFAOYSA-N 2 0 382.339 2.541 20 0 GFADRP CC[NH+]1CCN(CCCC[NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000921529196 664552382 /nfs/dbraw/zinc/55/23/82/664552382.db2.gz YPNNWPDEJRVHBE-UHFFFAOYSA-N 2 0 375.380 2.721 20 0 GFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Cl)cc3Br)C[C@@H]12 ZINC000923331685 664628435 /nfs/dbraw/zinc/62/84/35/664628435.db2.gz HUZWSMITTBBVTI-CQROYNQRSA-N 2 0 389.721 2.511 20 0 GFADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500492 664631362 /nfs/dbraw/zinc/63/13/62/664631362.db2.gz RLOPHSRDTSOWAY-YCPHGPKFSA-N 2 0 382.346 2.713 20 0 GFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCCc4ncc(Br)cc43)C2)CC1 ZINC000925041548 664665909 /nfs/dbraw/zinc/66/59/09/664665909.db2.gz PHZMSASGGJAOTA-KXBFYZLASA-N 2 0 393.373 2.980 20 0 GFADRP [NH3+]C1CCN(CC[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000925811680 664675245 /nfs/dbraw/zinc/67/52/45/664675245.db2.gz JXWAQIBDWWKXEA-ZWKOTPCHSA-N 2 0 382.346 2.682 20 0 GFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849678 664675949 /nfs/dbraw/zinc/67/59/49/664675949.db2.gz JSBBXRXEIHWRPI-CJNGLKHVSA-N 2 0 381.314 2.655 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)CC12CC[NH2+]CC2 ZINC000925852028 664675989 /nfs/dbraw/zinc/67/59/89/664675989.db2.gz ZAIGHVPEDQONRA-ZYHUDNBSSA-N 2 0 385.327 2.773 20 0 GFADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1F ZINC000925853742 664676077 /nfs/dbraw/zinc/67/60/77/664676077.db2.gz QXYMFMSLWBBDBO-AAEUAGOBSA-N 2 0 385.277 2.924 20 0 GFADRP c1csc(C[N@@H+]2CCOC3(CCN(c4ccc5c(n4)CC[NH2+]C5)CC3)C2)c1 ZINC001164696093 719887621 /nfs/dbraw/zinc/88/76/21/719887621.db2.gz WUACUGJBCVTWBD-UHFFFAOYSA-N 2 0 384.549 2.660 20 0 GFADRP Cc1[nH+]c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc2[nH]ccc21 ZINC001164824727 720333748 /nfs/dbraw/zinc/33/37/48/720333748.db2.gz CVLZYMGZQAWSCN-VQTJNVASSA-N 2 0 381.524 2.783 20 0 GFADRP Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)O2)n1 ZINC001164830571 720409783 /nfs/dbraw/zinc/40/97/83/720409783.db2.gz SDQNPETVQJVRHK-QYZOEREBSA-N 2 0 399.495 2.745 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164887734 721417135 /nfs/dbraw/zinc/41/71/35/721417135.db2.gz MUKLLAXXUNJTBB-UNMCSNQZSA-N 2 0 388.556 2.634 20 0 GFADRP c1ccc(C[N@@H+]2CCc3nc(N4CC[NH+](C[C@H]5CCCO5)CC4)ccc3C2)cc1 ZINC001165040104 721906250 /nfs/dbraw/zinc/90/62/50/721906250.db2.gz YJYCMPVXRNOYMA-JOCHJYFZSA-N 2 0 392.547 2.941 20 0 GFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Br)cc1 ZINC000150942387 551404213 /nfs/dbraw/zinc/40/42/13/551404213.db2.gz YOKPJVWOKSMYSG-IBGZPJMESA-N 2 0 398.389 2.880 20 0 GFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000155095296 551491165 /nfs/dbraw/zinc/49/11/65/551491165.db2.gz AOTFLFDWPCICKZ-UONOGXRCSA-N 2 0 387.309 2.578 20 0 GFADRP C[C@H](NCC(=O)NCC(C)(C)N1CCOCC1)c1cccc(Cl)c1Cl ZINC000183756913 552318378 /nfs/dbraw/zinc/31/83/78/552318378.db2.gz AAHSYSMMNKMIBA-ZDUSSCGKSA-N 2 0 388.339 2.871 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Br)cc2)[C@@H](C)C1 ZINC000247057867 553118032 /nfs/dbraw/zinc/11/80/32/553118032.db2.gz OTNXAPQRSAUNLS-ZVZYQTTQSA-N 2 0 385.346 2.851 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000247071269 553118377 /nfs/dbraw/zinc/11/83/77/553118377.db2.gz VTAGPQRUJDCCJL-HOTGVXAUSA-N 2 0 385.599 2.538 20 0 GFADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418584581 563220746 /nfs/dbraw/zinc/22/07/46/563220746.db2.gz CFRIFFVPGKOHPI-WMLDXEAASA-N 2 0 397.361 2.520 20 0 GFADRP CC[C@H]([NH3+])CNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000418715189 563222598 /nfs/dbraw/zinc/22/25/98/563222598.db2.gz QZYWRGPPKLVUJQ-HNNXBMFYSA-N 2 0 397.361 2.792 20 0 GFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000422770393 563349048 /nfs/dbraw/zinc/34/90/48/563349048.db2.gz WMMKGIOWCASHSQ-DOMZBBRYSA-N 2 0 389.359 2.718 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422900798 563350088 /nfs/dbraw/zinc/35/00/88/563350088.db2.gz AWRUHVMCZSJPGN-DLBZAZTESA-N 2 0 398.345 2.827 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1Br ZINC000423451212 563361493 /nfs/dbraw/zinc/36/14/93/563361493.db2.gz IFMBLUFXFYFABL-LSKLOWJMSA-N 2 0 398.320 2.886 20 0 GFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423460421 563361572 /nfs/dbraw/zinc/36/15/72/563361572.db2.gz BCZOKARTASLRMP-GARJFASQSA-N 2 0 380.341 2.809 20 0 GFADRP [NH3+]CCCOC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000430572734 563546171 /nfs/dbraw/zinc/54/61/71/563546171.db2.gz GIHSQODZPXCGBH-UHFFFAOYSA-N 2 0 384.318 2.608 20 0 GFADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637941 563546802 /nfs/dbraw/zinc/54/68/02/563546802.db2.gz DSVKLVSPPXVDHO-ZBFHGGJFSA-N 2 0 380.330 2.654 20 0 GFADRP C[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Oc1ccccc1Br ZINC000433148637 563605099 /nfs/dbraw/zinc/60/50/99/563605099.db2.gz BGQSAVGNSGAPMG-AWEZNQCLSA-N 2 0 398.345 2.536 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000414751746 563752169 /nfs/dbraw/zinc/75/21/69/563752169.db2.gz JEFMHRNVAYMCHV-QGZVFWFLSA-N 2 0 394.357 2.858 20 0 GFADRP COc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc(I)c1OC ZINC000415041406 563757205 /nfs/dbraw/zinc/75/72/05/563757205.db2.gz PVTGWKLIGLJJQW-PWSUYJOCSA-N 2 0 390.265 2.525 20 0 GFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000367244957 563837929 /nfs/dbraw/zinc/83/79/29/563837929.db2.gz URGDHXJIPHCFJR-AXUOBQJMSA-N 2 0 397.357 2.962 20 0 GFADRP CN(CCCc1cncn1C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000565488894 564282923 /nfs/dbraw/zinc/28/29/23/564282923.db2.gz YEIBCPXCIHQVDQ-UHFFFAOYSA-N 2 0 389.301 2.828 20 0 GFADRP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc(I)c1OC ZINC000566230165 564318336 /nfs/dbraw/zinc/31/83/36/564318336.db2.gz NDAREJDTVDVIBD-UWVGGRQHSA-N 2 0 378.254 2.524 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)c(Br)cc1F ZINC000566954533 564350977 /nfs/dbraw/zinc/35/09/77/564350977.db2.gz WYQDREUNQOPXES-UHFFFAOYSA-N 2 0 394.716 2.807 20 0 GFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000567689231 564383591 /nfs/dbraw/zinc/38/35/91/564383591.db2.gz FVZWILMONWURKU-KRWDZBQOSA-N 2 0 385.346 2.900 20 0 GFADRP O=C(CC[NH2+]CCCC[N@H+]1CCC[C@H]1CO)Nc1cccc(Br)c1 ZINC000514673899 564453166 /nfs/dbraw/zinc/45/31/66/564453166.db2.gz UIDOGTGJCKUQGF-KRWDZBQOSA-N 2 0 398.345 2.604 20 0 GFADRP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000516570417 564505985 /nfs/dbraw/zinc/50/59/85/564505985.db2.gz QZAUPRJLIZIDKS-CHWSQXEVSA-N 2 0 387.318 2.915 20 0 GFADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000572088060 564580593 /nfs/dbraw/zinc/58/05/93/564580593.db2.gz KUTLBLBMQOYGKA-CQSZACIVSA-N 2 0 385.350 2.645 20 0 GFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc(I)c1 ZINC000551597154 564657332 /nfs/dbraw/zinc/65/73/32/564657332.db2.gz ZHGYVNVTRLJXQH-HNNXBMFYSA-N 2 0 376.282 2.738 20 0 GFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccc(Br)cc3)C2)CC1 ZINC000524751292 564686019 /nfs/dbraw/zinc/68/60/19/564686019.db2.gz NHPOKNYGHWILHK-GOSISDBHSA-N 2 0 396.373 2.928 20 0 GFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555550146 564797553 /nfs/dbraw/zinc/79/75/53/564797553.db2.gz JQPXOKKFZLNTJL-IAGOWNOFSA-N 2 0 381.358 2.989 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(F)c1Br ZINC000555872437 564806904 /nfs/dbraw/zinc/80/69/04/564806904.db2.gz IZFHRRHSAYRHQC-UHFFFAOYSA-N 2 0 394.716 2.807 20 0 GFADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000562988315 565051064 /nfs/dbraw/zinc/05/10/64/565051064.db2.gz YDXORXZOXJVOBA-KRWDZBQOSA-N 2 0 385.346 2.899 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000663503503 565424599 /nfs/dbraw/zinc/42/45/99/565424599.db2.gz JYQIELRWPPOLDU-UHFFFAOYSA-N 2 0 378.567 2.952 20 0 GFADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cccc(Sc2ccccc2)c1 ZINC000624368797 565553243 /nfs/dbraw/zinc/55/32/43/565553243.db2.gz YDJCMMGGKSJXRT-UHFFFAOYSA-N 2 0 379.551 2.526 20 0 GFADRP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)Nc1ccc(Br)cc1)CCO2 ZINC000646103288 565586663 /nfs/dbraw/zinc/58/66/63/565586663.db2.gz AOJJGQNRUXRGBI-UHFFFAOYSA-N 2 0 396.329 2.574 20 0 GFADRP C[N@H+](CCCn1ccnc1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000625273481 565615059 /nfs/dbraw/zinc/61/50/59/565615059.db2.gz NXDOBVUFPQMUNA-MRXNPFEDSA-N 2 0 377.286 2.921 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)c1ccc(Br)cc1 ZINC000647092890 565636719 /nfs/dbraw/zinc/63/67/19/565636719.db2.gz JNCAGEXVUBWMML-LPHOPBHVSA-N 2 0 394.357 2.860 20 0 GFADRP C[C@@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)N1CC[NH+](C)CC1 ZINC000647180169 565644077 /nfs/dbraw/zinc/64/40/77/565644077.db2.gz JTFQTSTWQWNJDN-LBPRGKRZSA-N 2 0 392.288 2.776 20 0 GFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000626100436 565675362 /nfs/dbraw/zinc/67/53/62/565675362.db2.gz NMQRBOROBZEQFF-QGZVFWFLSA-N 2 0 388.339 2.607 20 0 GFADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799506 565676969 /nfs/dbraw/zinc/67/69/69/565676969.db2.gz IJCZGRIQQVLAAE-XOYOTBSWSA-N 2 0 381.358 2.886 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc4c(cc3Br)OCO4)C2)C1 ZINC000650705964 565832835 /nfs/dbraw/zinc/83/28/35/565832835.db2.gz BCUZVLDMNJRXBN-XPKDYRNWSA-N 2 0 397.313 2.896 20 0 GFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Br)c1O ZINC000650708168 565833115 /nfs/dbraw/zinc/83/31/15/565833115.db2.gz UQUJKPWKQURIMA-JGGQBBKZSA-N 2 0 399.329 2.882 20 0 GFADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361694 565924786 /nfs/dbraw/zinc/92/47/86/565924786.db2.gz MQBKAFNWIBRWGK-BMFZPTHFSA-N 2 0 385.961 2.721 20 0 GFADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccccc1Cl ZINC000655914413 566094969 /nfs/dbraw/zinc/09/49/69/566094969.db2.gz YYGQBTHURSZYPS-UONOGXRCSA-N 2 0 380.842 2.912 20 0 GFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824619667 609327609 /nfs/dbraw/zinc/32/76/09/609327609.db2.gz YKMQSNAMHJBXRQ-AWEZNQCLSA-N 2 0 384.459 2.797 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000819084756 660246094 /nfs/dbraw/zinc/24/60/94/660246094.db2.gz OONSLQJTQPEHKX-KBXCAEBGSA-N 2 0 383.330 2.573 20 0 GFADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2nc(Br)cs2)CC1 ZINC000834508238 660822683 /nfs/dbraw/zinc/82/26/83/660822683.db2.gz JLDSBFBIABTKMP-ZDUSSCGKSA-N 2 0 375.380 2.974 20 0 GFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000124962490 654784794 /nfs/dbraw/zinc/78/47/94/654784794.db2.gz NMAUCCIFMBTFIZ-MRXNPFEDSA-N 2 0 395.345 2.979 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1F ZINC000060348666 654827946 /nfs/dbraw/zinc/82/79/46/654827946.db2.gz ZRONXMWSHVEKHT-OAHLLOKOSA-N 2 0 391.940 2.516 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000553514135 655422599 /nfs/dbraw/zinc/42/25/99/655422599.db2.gz RYMKMBBJBSUESH-UHFFFAOYSA-N 2 0 377.501 2.518 20 0 GFADRP COCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000575040380 655434629 /nfs/dbraw/zinc/43/46/29/655434629.db2.gz VVJLAIHYHVFOHO-MRXNPFEDSA-N 2 0 391.339 2.824 20 0 GFADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261973893 655443389 /nfs/dbraw/zinc/44/33/89/655443389.db2.gz NHGGRNACFORUEI-SGTLLEGYSA-N 2 0 376.298 2.959 20 0 GFADRP C[NH+](C)CCCNC(=S)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762460871 656042765 /nfs/dbraw/zinc/04/27/65/656042765.db2.gz KONLGTWNNVNGJQ-PBHICJAKSA-N 2 0 386.968 2.888 20 0 GFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)cc2)CC1 ZINC000775377423 656633911 /nfs/dbraw/zinc/63/39/11/656633911.db2.gz WYYSKUOSHPTOKS-AQNXPRMDSA-N 2 0 377.623 2.903 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1snc(Cl)c1Cl ZINC000845375228 661468103 /nfs/dbraw/zinc/46/81/03/661468103.db2.gz HCHTZDNEJLVUIL-LLVKDONJSA-N 2 0 379.357 2.938 20 0 GFADRP C[Si](C)(CC[NH+]1CCO[C@@H](CCF)C1)CC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000859908269 662178715 /nfs/dbraw/zinc/17/87/15/662178715.db2.gz DXDPUAQKSPMAHE-ROUUACIJSA-N 2 0 378.580 2.816 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000861646215 662253234 /nfs/dbraw/zinc/25/32/34/662253234.db2.gz OTBVOXUTMNEEAB-UONOGXRCSA-N 2 0 395.281 2.893 20 0 GFADRP CSC1(C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000865573730 662430281 /nfs/dbraw/zinc/43/02/81/662430281.db2.gz LQRYOEAJHGNNTQ-CYBMUJFWSA-N 2 0 381.533 2.952 20 0 GFADRP C[NH+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)c1 ZINC000870919651 662708313 /nfs/dbraw/zinc/70/83/13/662708313.db2.gz CJHGOVURZWQNAA-QGZVFWFLSA-N 2 0 376.298 2.827 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872018921 662753956 /nfs/dbraw/zinc/75/39/56/662753956.db2.gz RCHALQASULEGLQ-IEBWSBKVSA-N 2 0 396.373 2.754 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872033925 662754386 /nfs/dbraw/zinc/75/43/86/662754386.db2.gz KGKXBGJHCVVCOW-SZVBFZGTSA-N 2 0 396.373 2.752 20 0 GFADRP C[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)N1CC[NH+](C)CC1 ZINC000872034694 662754432 /nfs/dbraw/zinc/75/44/32/662754432.db2.gz QQBOYVZILBNIJD-SZVBFZGTSA-N 2 0 396.373 2.752 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872038189 662754465 /nfs/dbraw/zinc/75/44/65/662754465.db2.gz LFSNAEHEQLAODD-RDJZCZTQSA-N 2 0 383.330 2.573 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC000873268284 662804810 /nfs/dbraw/zinc/80/48/10/662804810.db2.gz BQBOXNWMCYWWCJ-IAQYHMDHSA-N 2 0 387.343 2.645 20 0 GFADRP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000879055919 662914990 /nfs/dbraw/zinc/91/49/90/662914990.db2.gz HYIIYYMHEAPGQR-ZBFHGGJFSA-N 2 0 394.357 2.837 20 0 GFADRP [NH3+][C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000884328502 663069119 /nfs/dbraw/zinc/06/91/19/663069119.db2.gz RHXMCUNAPSMKQE-WBAXXEDZSA-N 2 0 392.341 2.924 20 0 GFADRP COCC[NH+](CCOC)C1CCN(c2cc[nH+]c(C)c2Br)CC1 ZINC000893837240 663427672 /nfs/dbraw/zinc/42/76/72/663427672.db2.gz JTGVSLJMQPLVIG-UHFFFAOYSA-N 2 0 386.334 2.716 20 0 GFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000903435902 663784722 /nfs/dbraw/zinc/78/47/22/663784722.db2.gz ZVWSFKRGTIIUJB-HIFRSBDPSA-N 2 0 380.330 2.955 20 0 GFADRP Cc1cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388202 664598125 /nfs/dbraw/zinc/59/81/25/664598125.db2.gz CVVGPDPHFLZRIE-TVFCKZIOSA-N 2 0 382.346 2.722 20 0 GFADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850309 664675889 /nfs/dbraw/zinc/67/58/89/664675889.db2.gz IJVSAYHAUNTMTI-TZMCWYRMSA-N 2 0 399.304 2.794 20 0 GFADRP O=C1O[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC12CC[NH2+]CC2 ZINC000925854185 664676171 /nfs/dbraw/zinc/67/61/71/664676171.db2.gz LHKQLXDAXGQIIH-GOEBONIOSA-N 2 0 379.298 2.711 20 0 GFADRP CN1CC[C@@H]([NH2+]CCOCC[NH+](C)C)C[C@@H]1c1ccc(Br)cc1 ZINC000926251598 664685671 /nfs/dbraw/zinc/68/56/71/664685671.db2.gz BFWPDCPZSVDUSH-QZTJIDSGSA-N 2 0 384.362 2.752 20 0 GFADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)nc1 ZINC001164426064 718919186 /nfs/dbraw/zinc/91/91/86/718919186.db2.gz WDTNGDFXFCFIMB-IRLDBZIGSA-N 2 0 388.556 2.604 20 0 GFADRP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(N5CC[NH2+]CC5)cn4)[C@H]3C2)cc1 ZINC001164631477 719090045 /nfs/dbraw/zinc/09/00/45/719090045.db2.gz YHXGRDLRMSEOGD-IRLDBZIGSA-N 2 0 377.536 2.592 20 0 GFADRP Fc1cccnc1N(c1ccc(C[NH+]2CCCC2)cn1)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164691087 719760355 /nfs/dbraw/zinc/76/03/55/719760355.db2.gz LDXZOHVUUCGYGF-AVRDEDQJSA-N 2 0 397.498 2.871 20 0 GFADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164840945 720667836 /nfs/dbraw/zinc/66/78/36/720667836.db2.gz OCXIKHMYTOCAIG-OAQYLSRUSA-N 2 0 392.547 2.987 20 0 GFADRP Clc1nc2c(c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n1)C[NH2+]CC2 ZINC001164954863 722012490 /nfs/dbraw/zinc/01/24/90/722012490.db2.gz PQXCMLQRDCDNCM-UHFFFAOYSA-N 2 0 398.942 2.663 20 0 GFADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000177878889 552160402 /nfs/dbraw/zinc/16/04/02/552160402.db2.gz INMCIMVVEHEIFD-KRWDZBQOSA-N 2 0 383.330 2.957 20 0 GFADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000246175325 553103949 /nfs/dbraw/zinc/10/39/49/553103949.db2.gz FYCFRXJVGNRSBM-HOTGVXAUSA-N 2 0 385.936 2.655 20 0 GFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000246944406 553115594 /nfs/dbraw/zinc/11/55/94/553115594.db2.gz HVUIGYVOSBEYTL-WMLDXEAASA-N 2 0 382.346 2.889 20 0 GFADRP Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1Br ZINC000261775760 553159003 /nfs/dbraw/zinc/15/90/03/553159003.db2.gz XKYIOGPPJDUPSV-SJLPKXTDSA-N 2 0 394.357 2.838 20 0 GFADRP C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)NCCCC[NH3+])CC1 ZINC000418531112 563219221 /nfs/dbraw/zinc/21/92/21/563219221.db2.gz RLUNMNNKPOPJJG-UHFFFAOYSA-N 2 0 397.361 2.794 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422906258 563350935 /nfs/dbraw/zinc/35/09/35/563350935.db2.gz JJXHYDUSLIEGEX-GUYCJALGSA-N 2 0 398.345 2.698 20 0 GFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422991887 563352226 /nfs/dbraw/zinc/35/22/26/563352226.db2.gz QIHASEZGGOKKOR-WMLDXEAASA-N 2 0 382.346 2.763 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423012345 563353308 /nfs/dbraw/zinc/35/33/08/563353308.db2.gz KJZGCEZSLJGAMT-JKOKRWQUSA-N 2 0 381.826 2.865 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423012347 563353463 /nfs/dbraw/zinc/35/34/63/563353463.db2.gz KJZGCEZSLJGAMT-VHRBIJSZSA-N 2 0 381.826 2.865 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(I)cc1Cl ZINC000423092174 563354577 /nfs/dbraw/zinc/35/45/77/563354577.db2.gz AUTLBNMWVXZCLC-GFCCVEGCSA-N 2 0 382.673 2.788 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423115980 563356334 /nfs/dbraw/zinc/35/63/34/563356334.db2.gz ONDJETRMDRIRSI-LLVKDONJSA-N 2 0 382.673 2.788 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000423165265 563357843 /nfs/dbraw/zinc/35/78/43/563357843.db2.gz UFHNDCHEBSCDSZ-YQQAZPJKSA-N 2 0 385.346 2.716 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CCc2sc(Br)cc21)N1CC[NH2+]CC1 ZINC000423404970 563360498 /nfs/dbraw/zinc/36/04/98/563360498.db2.gz YNTWQLQAFWALPH-CMPLNLGQSA-N 2 0 398.292 2.924 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)oc1C ZINC000424638058 563385040 /nfs/dbraw/zinc/38/50/40/563385040.db2.gz KKNBFRSSOSTFRE-CQSZACIVSA-N 2 0 386.334 2.839 20 0 GFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000375837381 563420836 /nfs/dbraw/zinc/42/08/36/563420836.db2.gz GMLCMBGHNQYRMQ-OAHLLOKOSA-N 2 0 385.599 2.611 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Br)cc1O ZINC000436551042 563673245 /nfs/dbraw/zinc/67/32/45/563673245.db2.gz WJMFPYFLUNOURH-UHFFFAOYSA-N 2 0 386.334 2.500 20 0 GFADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000414204499 563722469 /nfs/dbraw/zinc/72/24/69/563722469.db2.gz WJWXJPZTPUELIU-MRXNPFEDSA-N 2 0 396.373 2.896 20 0 GFADRP Cc1cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)sc1Br ZINC000414995317 563756264 /nfs/dbraw/zinc/75/62/64/563756264.db2.gz WHKHSPZQIFFLQF-LLVKDONJSA-N 2 0 386.281 2.745 20 0 GFADRP C[C@H](C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1cccc(Br)c1 ZINC000415102690 563759011 /nfs/dbraw/zinc/75/90/11/563759011.db2.gz CQVXYRGAKRXPLF-CXAGYDPISA-N 2 0 378.318 2.940 20 0 GFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000367244959 563837747 /nfs/dbraw/zinc/83/77/47/563837747.db2.gz URGDHXJIPHCFJR-FDPIWHGQSA-N 2 0 397.357 2.962 20 0 GFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(I)cc2)CCCO1 ZINC000449281087 564179013 /nfs/dbraw/zinc/17/90/13/564179013.db2.gz CDHNPHXWTGNLTG-CQSZACIVSA-N 2 0 388.293 2.882 20 0 GFADRP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000564826285 564250660 /nfs/dbraw/zinc/25/06/60/564250660.db2.gz KIGXXXRHNVLROT-BRWVUGGUSA-N 2 0 380.330 2.689 20 0 GFADRP C[N@@H+]1CCCC12CCN(C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000542266644 564307912 /nfs/dbraw/zinc/30/79/12/564307912.db2.gz JKJUZLCVIFZCTC-INIZCTEOSA-N 2 0 383.330 2.749 20 0 GFADRP COc1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(Br)c1 ZINC000512044253 564390272 /nfs/dbraw/zinc/39/02/72/564390272.db2.gz DQHYBYJIXNZYJU-UHFFFAOYSA-N 2 0 384.362 2.821 20 0 GFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(OC)cc2Br)CC1 ZINC000512127603 564392805 /nfs/dbraw/zinc/39/28/05/564392805.db2.gz BDSGWUIHKKBBSP-HNNXBMFYSA-N 2 0 384.362 2.821 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000568985257 564443574 /nfs/dbraw/zinc/44/35/74/564443574.db2.gz XCBGEQSBKQEEOY-AEFFLSMTSA-N 2 0 396.329 2.606 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000453384951 564455843 /nfs/dbraw/zinc/45/58/43/564455843.db2.gz UJOPCSWSNDIAND-UKPHBRMFSA-N 2 0 385.346 2.539 20 0 GFADRP CN(CCC[N@H+](C)Cc1cc(Br)cc2c1OCC2)CC[NH+](C)C ZINC000569954678 564485555 /nfs/dbraw/zinc/48/55/55/564485555.db2.gz YBLBVLGJENXFIU-UHFFFAOYSA-N 2 0 384.362 2.699 20 0 GFADRP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000571323200 564546412 /nfs/dbraw/zinc/54/64/12/564546412.db2.gz UHMSNXBSDFNLBY-HNNXBMFYSA-N 2 0 399.377 2.591 20 0 GFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000482884369 564552718 /nfs/dbraw/zinc/55/27/18/564552718.db2.gz CEJWJXLQBNDOMW-RHSMWYFYSA-N 2 0 382.346 2.727 20 0 GFADRP Cc1cc(Br)c(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)s1 ZINC000457561045 564665564 /nfs/dbraw/zinc/66/55/64/564665564.db2.gz SNTFMSSTCPFCSG-UHFFFAOYSA-N 2 0 388.375 2.917 20 0 GFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@@H]2CCC[C@@H]21 ZINC000552275877 564684380 /nfs/dbraw/zinc/68/43/80/564684380.db2.gz CQLLNIGEPABDRU-OTRWWLKZSA-N 2 0 383.330 2.651 20 0 GFADRP Brc1cncc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000524689745 564685721 /nfs/dbraw/zinc/68/57/21/564685721.db2.gz SNHOOIVSYAESQW-UHFFFAOYSA-N 2 0 376.302 2.863 20 0 GFADRP Cn1ccnc1[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581318152 564797333 /nfs/dbraw/zinc/79/73/33/564797333.db2.gz CVDPUBIXFUYNEU-IUODEOHRSA-N 2 0 398.276 2.551 20 0 GFADRP C[C@@]([NH3+])(C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000582723597 564858923 /nfs/dbraw/zinc/85/89/23/564858923.db2.gz MTTDTFGRQHJLCL-HTWSVDAQSA-N 2 0 380.330 2.756 20 0 GFADRP Cc1ccnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000557534706 564866478 /nfs/dbraw/zinc/86/64/78/564866478.db2.gz QWMHWDCLJYVXJI-UHFFFAOYSA-N 2 0 390.329 3.172 20 0 GFADRP Brc1cccc(OCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530239484 564873336 /nfs/dbraw/zinc/87/33/36/564873336.db2.gz GAUKOOZPCYOVLC-SFHVURJKSA-N 2 0 383.330 2.918 20 0 GFADRP Brc1cc2c(c(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c1)OCC2 ZINC000530249742 564874007 /nfs/dbraw/zinc/87/40/07/564874007.db2.gz YNCZITXFUBEBBD-GOSISDBHSA-N 2 0 395.341 2.975 20 0 GFADRP CSC1(C[NH2+]Cc2c(C)nn(C)c2OCC(F)(F)F)CC[NH+](C)CC1 ZINC000583470100 564893198 /nfs/dbraw/zinc/89/31/98/564893198.db2.gz UROXLYSDRBGKAV-UHFFFAOYSA-N 2 0 380.480 2.587 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584173256 564923888 /nfs/dbraw/zinc/92/38/88/564923888.db2.gz GADJOBBFBSJRMF-HZPDHXFCSA-N 2 0 394.357 2.729 20 0 GFADRP CC(C)(C)[NH+]1CCC([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000467406626 564962443 /nfs/dbraw/zinc/96/24/43/564962443.db2.gz PZVJCTXHGPZWSO-UHFFFAOYSA-N 2 0 387.977 2.861 20 0 GFADRP CC1(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC[NH2+]CC1 ZINC000562962721 565049507 /nfs/dbraw/zinc/04/95/07/565049507.db2.gz PWRVZLSEKARAJZ-CQSZACIVSA-N 2 0 387.343 2.647 20 0 GFADRP Brc1cnc2c(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cnn2c1 ZINC000638184568 565187942 /nfs/dbraw/zinc/18/79/42/565187942.db2.gz YSDHNAWZSQETBD-CXAGYDPISA-N 2 0 390.329 2.941 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000639112295 565226288 /nfs/dbraw/zinc/22/62/88/565226288.db2.gz AZMWEEATHNPOQA-QGZVFWFLSA-N 2 0 396.373 2.853 20 0 GFADRP C[N@@H+]1CC[C@]2(C1)CCCN([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661775 565288336 /nfs/dbraw/zinc/28/83/36/565288336.db2.gz GHLKXGMWBDSPAM-MJGOQNOKSA-N 2 0 392.341 2.972 20 0 GFADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662457407 565370234 /nfs/dbraw/zinc/37/02/34/565370234.db2.gz NFUNDQXURSDOIK-UHFFFAOYSA-N 2 0 379.595 2.875 20 0 GFADRP Cc1c(Cl)cccc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000642375584 565412318 /nfs/dbraw/zinc/41/23/18/565412318.db2.gz DWIGGLKWHROWFL-UHFFFAOYSA-N 2 0 375.966 2.543 20 0 GFADRP C[N@H+](CCCn1ccnc1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625273476 565614915 /nfs/dbraw/zinc/61/49/15/565614915.db2.gz NXDOBVUFPQMUNA-INIZCTEOSA-N 2 0 377.286 2.921 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(F)cncc1Br ZINC000668155081 565629656 /nfs/dbraw/zinc/62/96/56/565629656.db2.gz DHZVPWLURGDTCY-UHFFFAOYSA-N 2 0 375.330 2.689 20 0 GFADRP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2=O)ccc1Br ZINC000647795346 565676651 /nfs/dbraw/zinc/67/66/51/565676651.db2.gz NZKBVMJBFGXMBC-BORJPKMPSA-N 2 0 392.341 2.841 20 0 GFADRP C[C@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C[NH2+]1 ZINC000627196812 565726395 /nfs/dbraw/zinc/72/63/95/565726395.db2.gz VUSFLTSOLBEFRS-YOEHRIQHSA-N 2 0 397.361 2.663 20 0 GFADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000600709046 565745635 /nfs/dbraw/zinc/74/56/35/565745635.db2.gz NUQKNSDXROPIAV-ZDUSSCGKSA-N 2 0 388.293 2.710 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[N@H+](C)C1CCC1 ZINC000629974169 565877924 /nfs/dbraw/zinc/87/79/24/565877924.db2.gz XAHVHJGNKAHQEL-UHFFFAOYSA-N 2 0 382.346 2.824 20 0 GFADRP Cc1cc(Br)ccc1NC(=O)CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655725428 566084296 /nfs/dbraw/zinc/08/42/96/566084296.db2.gz TURUUGGKSLIBIK-INIZCTEOSA-N 2 0 396.329 2.539 20 0 GFADRP COc1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc(Br)c1OC ZINC000655724832 566084704 /nfs/dbraw/zinc/08/47/04/566084704.db2.gz HRTXFWMBSBFMCF-OAHLLOKOSA-N 2 0 399.329 2.809 20 0 GFADRP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000635007305 566187817 /nfs/dbraw/zinc/18/78/17/566187817.db2.gz VYJUZUIWCKEBOJ-QMROVXIMSA-N 2 0 377.326 2.834 20 0 GFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736858904 598561904 /nfs/dbraw/zinc/56/19/04/598561904.db2.gz VPPLBTBRQNAJJG-GOSISDBHSA-N 2 0 392.507 2.877 20 0 GFADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826157944 608378440 /nfs/dbraw/zinc/37/84/40/608378440.db2.gz SGWQILMUFXNZTH-KRWDZBQOSA-N 2 0 386.544 2.998 20 0 GFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824577505 609340978 /nfs/dbraw/zinc/34/09/78/609340978.db2.gz LFRYWIMOMMVMHB-AWEZNQCLSA-N 2 0 381.459 2.968 20 0 GFADRP CN1CC[NH+](CCCC[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817575304 660201237 /nfs/dbraw/zinc/20/12/37/660201237.db2.gz HDTIMQMTERMSNE-HNNXBMFYSA-N 2 0 387.391 2.974 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000819172579 660248552 /nfs/dbraw/zinc/24/85/52/660248552.db2.gz DTGKAVQBQPZEOG-CEXWTWQISA-N 2 0 397.357 2.840 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1c(F)cc(Br)cc1F ZINC000132518770 654939960 /nfs/dbraw/zinc/93/99/60/654939960.db2.gz XVSNKLUYIAGBBH-UHFFFAOYSA-N 2 0 393.276 2.684 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1I ZINC000268885229 654990098 /nfs/dbraw/zinc/99/00/98/654990098.db2.gz NRNIOVLRDHPAJF-KGLIPLIRSA-N 2 0 387.309 2.578 20 0 GFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269054693 654996283 /nfs/dbraw/zinc/99/62/83/654996283.db2.gz IXAHQNAOIJNYNX-HIFRSBDPSA-N 2 0 378.485 2.690 20 0 GFADRP Cc1cc(Br)cn2c(C[NH2+][C@H](C)CCN3CC[NH+](C)CC3)cnc12 ZINC000274581683 655193799 /nfs/dbraw/zinc/19/37/99/655193799.db2.gz KZOGKKUPWNIUDA-OAHLLOKOSA-N 2 0 394.361 2.521 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000119751559 655313601 /nfs/dbraw/zinc/31/36/01/655313601.db2.gz YRPFMEXQJRYJQM-UHFFFAOYSA-N 2 0 378.851 2.899 20 0 GFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000788487852 657728524 /nfs/dbraw/zinc/72/85/24/657728524.db2.gz JGHPPOVFHNWYJM-OAHLLOKOSA-N 2 0 395.345 2.836 20 0 GFADRP Brc1cnn(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000796512593 658921103 /nfs/dbraw/zinc/92/11/03/658921103.db2.gz FUMYUDMISQEZQE-UHFFFAOYSA-N 2 0 393.329 2.910 20 0 GFADRP C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1CCC([NH3+])CC1 ZINC000843353619 661378397 /nfs/dbraw/zinc/37/83/97/661378397.db2.gz FNOIMZBYJQFVTB-UHFFFAOYSA-N 2 0 376.245 2.868 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363599 661378524 /nfs/dbraw/zinc/37/85/24/661378524.db2.gz BARDERMQKIGFRP-OAHLLOKOSA-N 2 0 394.357 2.872 20 0 GFADRP COc1cc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)ccc1S(=O)(=O)C(F)F ZINC000844924224 661449521 /nfs/dbraw/zinc/44/95/21/661449521.db2.gz JQWDOQPENRWKOE-GFCCVEGCSA-N 2 0 376.469 2.732 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000870913459 662707912 /nfs/dbraw/zinc/70/79/12/662707912.db2.gz BFVKTPAIBBBYBX-VYDXJSESSA-N 2 0 380.330 2.687 20 0 GFADRP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Br)c1 ZINC000876979318 662869118 /nfs/dbraw/zinc/86/91/18/662869118.db2.gz AZIWDTBFSZPMPS-YOEHRIQHSA-N 2 0 380.330 2.687 20 0 GFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnn3cc(Br)cnc13)CC2 ZINC000877684144 662881800 /nfs/dbraw/zinc/88/18/00/662881800.db2.gz IHAQXFBPLFBEAP-UHFFFAOYSA-N 2 0 378.318 2.800 20 0 GFADRP C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000879055917 662914942 /nfs/dbraw/zinc/91/49/42/662914942.db2.gz HYIIYYMHEAPGQR-GOEBONIOSA-N 2 0 394.357 2.837 20 0 GFADRP [NH3+][C@@H](CCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)Cc1ccccc1 ZINC000884456968 663071055 /nfs/dbraw/zinc/07/10/55/663071055.db2.gz RYOHWRYOPNDOEP-DLBZAZTESA-N 2 0 376.298 2.525 20 0 GFADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000892563599 663377458 /nfs/dbraw/zinc/37/74/58/663377458.db2.gz SNMGBAKKWFYIOR-UHFFFAOYSA-N 2 0 397.361 2.525 20 0 GFADRP CSC1(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC[NH+](C)CC1 ZINC000894793800 663482082 /nfs/dbraw/zinc/48/20/82/663482082.db2.gz IXYWLQPFIQTRBP-UHFFFAOYSA-N 2 0 391.006 2.550 20 0 GFADRP C[NH2+]C[C@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)C1 ZINC000911634497 664250884 /nfs/dbraw/zinc/25/08/84/664250884.db2.gz NNDDAFPLCJFURJ-OAHLLOKOSA-N 2 0 394.357 2.528 20 0 GFADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccnc3Br)C2)[C@@H]1C(C)C ZINC000922392086 664598828 /nfs/dbraw/zinc/59/88/28/664598828.db2.gz CSJZGSXGUKWEAA-XLMAVXFVSA-N 2 0 382.346 2.804 20 0 GFADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1Br ZINC000925850827 664675957 /nfs/dbraw/zinc/67/59/57/664675957.db2.gz BVRJMBVWRNXJIF-AAEUAGOBSA-N 2 0 385.277 2.924 20 0 GFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000579582433 677673446 /nfs/dbraw/zinc/67/34/46/677673446.db2.gz ASGQSGWKFJLXGZ-KRWDZBQOSA-N 2 0 385.346 2.900 20 0 GFADRP Cc1noc([C@@H]2C[C@@H]3CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@@H]3O2)n1 ZINC001164656759 719301291 /nfs/dbraw/zinc/30/12/91/719301291.db2.gz YPWDGYVUFDUHSK-SNRMKQJTSA-N 2 0 399.495 2.603 20 0 GFADRP c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)cn2)c1 ZINC001164724402 720481280 /nfs/dbraw/zinc/48/12/80/720481280.db2.gz FYTIEVCJXAMKIY-FGZHOGPDSA-N 2 0 393.535 2.708 20 0 GFADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834441 720504692 /nfs/dbraw/zinc/50/46/92/720504692.db2.gz GMRFXGLBOJTXGJ-VAMGGRTRSA-N 2 0 397.571 2.815 20 0 GFADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000151826522 551421781 /nfs/dbraw/zinc/42/17/81/551421781.db2.gz CQOVGYYUZMFFLL-KRWDZBQOSA-N 2 0 383.330 2.957 20 0 GFADRP C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000153767009 551460308 /nfs/dbraw/zinc/46/03/08/551460308.db2.gz DLYRZZKDKZSHIB-HNNXBMFYSA-N 2 0 399.377 2.515 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000155095144 551491139 /nfs/dbraw/zinc/49/11/39/551491139.db2.gz AOTFLFDWPCICKZ-KBPBESRZSA-N 2 0 387.309 2.578 20 0 GFADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171823149 551664507 /nfs/dbraw/zinc/66/45/07/551664507.db2.gz XFZMTUKRRFZWJZ-CQSZACIVSA-N 2 0 382.346 2.900 20 0 GFADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)CC1 ZINC000186596110 552391932 /nfs/dbraw/zinc/39/19/32/552391932.db2.gz AWNAPMUATDPYJT-UHFFFAOYSA-N 2 0 389.341 2.881 20 0 GFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000187204613 552409467 /nfs/dbraw/zinc/40/94/67/552409467.db2.gz CQWXQSNWOYWIAF-OAHLLOKOSA-N 2 0 384.362 2.821 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cn2cc(Br)cn2)[C@H](C)C1 ZINC000248157917 553127880 /nfs/dbraw/zinc/12/78/80/553127880.db2.gz RRAOKPACQXSWIC-INMHGKMJSA-N 2 0 387.366 2.761 20 0 GFADRP C[C@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000261745091 553157797 /nfs/dbraw/zinc/15/77/97/553157797.db2.gz MDGLQRZAJFLXDT-LBTNJELSSA-N 2 0 382.346 2.860 20 0 GFADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000418697680 563222975 /nfs/dbraw/zinc/22/29/75/563222975.db2.gz MEUIWZXRYNYJMR-ZIAGYGMSSA-N 2 0 397.361 2.791 20 0 GFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772164 563348853 /nfs/dbraw/zinc/34/88/53/563348853.db2.gz YYYNBSMWNDMVDB-NEPJUHHUSA-N 2 0 377.348 2.717 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2csc(Br)c2)CC[NH2+]CC1 ZINC000422861156 563349718 /nfs/dbraw/zinc/34/97/18/563349718.db2.gz MIRJPXCGOSDALF-LLVKDONJSA-N 2 0 375.332 2.922 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000423092706 563354757 /nfs/dbraw/zinc/35/47/57/563354757.db2.gz DBYLFRZCOKOEDQ-CJNGLKHVSA-N 2 0 390.309 2.956 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CCCOc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423390943 563360297 /nfs/dbraw/zinc/36/02/97/563360297.db2.gz OWAYESDRJLOCEE-GOEBONIOSA-N 2 0 377.838 2.979 20 0 GFADRP COc1cc([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1SC ZINC000423377730 563360400 /nfs/dbraw/zinc/36/04/00/563360400.db2.gz FGDQGQOADDKQCP-LRDDRELGSA-N 2 0 377.476 2.904 20 0 GFADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)s1 ZINC000423391052 563360434 /nfs/dbraw/zinc/36/04/34/563360434.db2.gz PCSLNQVPVDXQCU-GXSJLCMTSA-N 2 0 386.281 2.997 20 0 GFADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)cs1 ZINC000423372810 563360484 /nfs/dbraw/zinc/36/04/84/563360484.db2.gz BJTVNRGDVFWXMB-BXKDBHETSA-N 2 0 386.281 2.997 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Br)ccc1F ZINC000423467550 563361226 /nfs/dbraw/zinc/36/12/26/563361226.db2.gz XQPTVCMRWBHUIH-ONUMYQOESA-N 2 0 398.320 2.886 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431015639 563551516 /nfs/dbraw/zinc/55/15/16/563551516.db2.gz WFQIFOSYIMGINQ-OAHLLOKOSA-N 2 0 394.357 2.872 20 0 GFADRP C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433862778 563620986 /nfs/dbraw/zinc/62/09/86/563620986.db2.gz BTAQAZCSVZAKNS-UHFFFAOYSA-N 2 0 381.567 2.562 20 0 GFADRP Cc1cc(Br)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)s1 ZINC000333177154 563623367 /nfs/dbraw/zinc/62/33/67/563623367.db2.gz RBZBADJNWXAOFP-CJNGLKHVSA-N 2 0 386.359 2.555 20 0 GFADRP O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2cn3ccc(Br)cc3n2)CC1 ZINC000289400671 563673700 /nfs/dbraw/zinc/67/37/00/563673700.db2.gz AHTYFJZMNJUTFE-SJORKVTESA-N 2 0 393.329 2.564 20 0 GFADRP COCC1(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]CC1 ZINC000414978928 563756212 /nfs/dbraw/zinc/75/62/12/563756212.db2.gz UFEKKABTFGRFEJ-UHFFFAOYSA-N 2 0 393.329 2.741 20 0 GFADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000444737919 563836715 /nfs/dbraw/zinc/83/67/15/563836715.db2.gz SQZNYZVEQYJEEX-ZDUSSCGKSA-N 2 0 380.330 2.843 20 0 GFADRP CC[NH+]1CCC([NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)CC1 ZINC000449677399 564194787 /nfs/dbraw/zinc/19/47/87/564194787.db2.gz AWBXJGLXXOYYRZ-CQSZACIVSA-N 2 0 385.346 2.683 20 0 GFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000567680445 564382370 /nfs/dbraw/zinc/38/23/70/564382370.db2.gz YXDYPMURULLXIU-MRXNPFEDSA-N 2 0 389.309 2.790 20 0 GFADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567674718 564382521 /nfs/dbraw/zinc/38/25/21/564382521.db2.gz YYTIOIFAAQWRRW-NSHDSACASA-N 2 0 396.308 2.894 20 0 GFADRP CC[NH+]1CCC(CC[NH2+]Cc2ncc(I)s2)CC1 ZINC000512069098 564391295 /nfs/dbraw/zinc/39/12/95/564391295.db2.gz VEKAVGQLYDAHDC-UHFFFAOYSA-N 2 0 379.311 2.959 20 0 GFADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000568926877 564440611 /nfs/dbraw/zinc/44/06/11/564440611.db2.gz APAWBKUPLBQSTA-LSDHHAIUSA-N 2 0 386.353 2.992 20 0 GFADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569095246 564448669 /nfs/dbraw/zinc/44/86/69/564448669.db2.gz OLODMGVCWKHSEO-LBTNJELSSA-N 2 0 385.936 2.683 20 0 GFADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000481061577 564502353 /nfs/dbraw/zinc/50/23/53/564502353.db2.gz PFUQWQHGSDOEHR-AEFFLSMTSA-N 2 0 384.615 2.868 20 0 GFADRP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000516570422 564505825 /nfs/dbraw/zinc/50/58/25/564505825.db2.gz QZAUPRJLIZIDKS-QWHCGFSZSA-N 2 0 387.318 2.915 20 0 GFADRP C[NH+](C)[C@]1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCSC1 ZINC000481232506 564506872 /nfs/dbraw/zinc/50/68/72/564506872.db2.gz NTPKZQJBNBTTOS-QAPCUYQASA-N 2 0 382.599 2.622 20 0 GFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000570827339 564523181 /nfs/dbraw/zinc/52/31/81/564523181.db2.gz QLVNXCUFXCGVLR-UONOGXRCSA-N 2 0 389.359 2.861 20 0 GFADRP CSC1(C[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC[NH+](C)CC1 ZINC000519484339 564579190 /nfs/dbraw/zinc/57/91/90/564579190.db2.gz GZCAOYIUQLGWPT-UHFFFAOYSA-N 2 0 383.924 2.977 20 0 GFADRP CN1CC[NH+](CC2CCN(Cc3cccc(O)c3Br)CC2)CC1 ZINC000459555977 564750366 /nfs/dbraw/zinc/75/03/66/564750366.db2.gz HMJAOAGNXQZUOY-UHFFFAOYSA-N 2 0 382.346 2.614 20 0 GFADRP CC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000561405707 564993863 /nfs/dbraw/zinc/99/38/63/564993863.db2.gz IWNWZEZKMFCFBF-UHFFFAOYSA-N 2 0 378.318 2.851 20 0 GFADRP COc1cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc(Br)c1O ZINC000657574289 565109916 /nfs/dbraw/zinc/10/99/16/565109916.db2.gz VMJRQCUUCMNGDL-ZDUSSCGKSA-N 2 0 388.350 2.525 20 0 GFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)cn3)cc2)C1 ZINC000657596850 565111836 /nfs/dbraw/zinc/11/18/36/565111836.db2.gz ZSAMWHVOTCCHFD-GOSISDBHSA-N 2 0 376.298 2.701 20 0 GFADRP C[C@H]1CC[N@H+](Cc2cnn3cc(Br)cnc23)C[C@@H]1n1ccnc1 ZINC000638172051 565188015 /nfs/dbraw/zinc/18/80/15/565188015.db2.gz NHONFOWVBOIZMV-WFASDCNBSA-N 2 0 375.274 2.771 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000639360506 565242005 /nfs/dbraw/zinc/24/20/05/565242005.db2.gz MDHRBQHJFROFMD-CGTJXYLNSA-N 2 0 379.342 2.912 20 0 GFADRP C[NH+](C)[C@@H](CNC(=O)[C@@H](N)c1ccccc1Br)c1cccs1 ZINC000662347516 565361514 /nfs/dbraw/zinc/36/15/14/565361514.db2.gz GMGCOWHQMILMFP-ZFWWWQNUSA-N 2 0 382.327 2.930 20 0 GFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000662594464 565379108 /nfs/dbraw/zinc/37/91/08/565379108.db2.gz TWZYVJKVPOGKQA-ACJLOTCBSA-N 2 0 382.346 2.860 20 0 GFADRP Brc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)[C@H]2CCCO2)cc1 ZINC000643496344 565434272 /nfs/dbraw/zinc/43/42/72/565434272.db2.gz BAMAJSASGDFOMC-QZTJIDSGSA-N 2 0 382.346 2.554 20 0 GFADRP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000626041126 565672726 /nfs/dbraw/zinc/67/27/26/565672726.db2.gz QYUSCUMHTGHXIF-NVXWUHKLSA-N 2 0 394.357 2.791 20 0 GFADRP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000647799925 565677063 /nfs/dbraw/zinc/67/70/63/565677063.db2.gz UIKDXLNCGZHJIS-ZJIFWQFVSA-N 2 0 385.321 2.717 20 0 GFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000669681482 565699120 /nfs/dbraw/zinc/69/91/20/565699120.db2.gz NJLIJBVWEYSRIB-UHFFFAOYSA-N 2 0 376.289 2.845 20 0 GFADRP C[C@H](CCc1ccc(I)cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000600709036 565745796 /nfs/dbraw/zinc/74/57/96/565745796.db2.gz NUQKNSDXROPIAV-CYBMUJFWSA-N 2 0 388.293 2.710 20 0 GFADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628969803 565817701 /nfs/dbraw/zinc/81/77/01/565817701.db2.gz ZHDYTBHFLDJAGQ-CXAGYDPISA-N 2 0 388.339 2.681 20 0 GFADRP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629531843 565857332 /nfs/dbraw/zinc/85/73/32/565857332.db2.gz ABDXPUJOWGXKMP-VBQJREDUSA-N 2 0 378.314 2.634 20 0 GFADRP Cc1[nH+]c2ccc(Br)cc2c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1C ZINC000651452753 565864301 /nfs/dbraw/zinc/86/43/01/565864301.db2.gz XYYQKLGGJCMQAE-OAHLLOKOSA-N 2 0 376.298 2.869 20 0 GFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821197146 606847227 /nfs/dbraw/zinc/84/72/27/606847227.db2.gz GSURWHXDJOONIQ-HXUWFJFHSA-N 2 0 380.496 2.532 20 0 GFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820705035 606914984 /nfs/dbraw/zinc/91/49/84/606914984.db2.gz RQHKVEQICCGNDB-UTKZUKDTSA-N 2 0 398.555 2.877 20 0 GFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826157805 608378420 /nfs/dbraw/zinc/37/84/20/608378420.db2.gz MWJHRVPHZMKZEL-UHFFFAOYSA-N 2 0 390.507 2.576 20 0 GFADRP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000826518819 608531012 /nfs/dbraw/zinc/53/10/12/608531012.db2.gz YUVWSNFIVHWEQW-UHFFFAOYSA-N 2 0 394.527 2.602 20 0 GFADRP COc1cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1S(=O)(=O)C(F)F ZINC000817961386 660212493 /nfs/dbraw/zinc/21/24/93/660212493.db2.gz XYHWEHUMCITFHU-UBHSHLNASA-N 2 0 376.469 2.860 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000819172939 660248598 /nfs/dbraw/zinc/24/85/98/660248598.db2.gz HRRMIBDAWIUARW-GBESFXJTSA-N 2 0 397.357 2.840 20 0 GFADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2Br)ccn1 ZINC000819197107 660249823 /nfs/dbraw/zinc/24/98/23/660249823.db2.gz XKISCTKVCQVQAT-QGZVFWFLSA-N 2 0 394.313 2.608 20 0 GFADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1Br ZINC000120787883 655344110 /nfs/dbraw/zinc/34/41/10/655344110.db2.gz KRQSELVRXLSIIB-LSDHHAIUSA-N 2 0 384.362 2.992 20 0 GFADRP C[N@H+](CCCC[NH2+]Cc1cn(-c2ccccc2Br)nn1)C1CC1 ZINC000453601770 655411811 /nfs/dbraw/zinc/41/18/11/655411811.db2.gz VQSZYXGAFDYJJJ-UHFFFAOYSA-N 2 0 378.318 2.994 20 0 GFADRP O=c1ccn(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c2c(Br)cccc12 ZINC000726867167 655539217 /nfs/dbraw/zinc/53/92/17/655539217.db2.gz AKZACGMOBIGMEP-UHFFFAOYSA-N 2 0 399.292 2.939 20 0 GFADRP C[C@@H](Sc1nc2ccccc2s1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000762982439 656067726 /nfs/dbraw/zinc/06/77/26/656067726.db2.gz VPQBUJSVUYQDFV-CQSZACIVSA-N 2 0 380.583 2.729 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000765043594 656127392 /nfs/dbraw/zinc/12/73/92/656127392.db2.gz XWPSBXLBJWMAQN-KRWDZBQOSA-N 2 0 390.355 2.759 20 0 GFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842676575 661348601 /nfs/dbraw/zinc/34/86/01/661348601.db2.gz AEINZULSZSOGSL-UHFFFAOYSA-N 2 0 375.742 2.615 20 0 GFADRP COc1cc(C[NH2+]C2CCC([NH3+])CC2)cc(I)c1OC ZINC000843104091 661368398 /nfs/dbraw/zinc/36/83/98/661368398.db2.gz GFGLRJMUDIGEHL-UHFFFAOYSA-N 2 0 390.265 2.668 20 0 GFADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)c1cccs1 ZINC000870854657 662703527 /nfs/dbraw/zinc/70/35/27/662703527.db2.gz QYWWEXJCWJUHMA-ZFWWWQNUSA-N 2 0 382.327 2.930 20 0 GFADRP [NH3+][C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc(Br)c1 ZINC000870894407 662707198 /nfs/dbraw/zinc/70/71/98/662707198.db2.gz SBXNQKSQTYLZKS-RHSMWYFYSA-N 2 0 380.330 2.783 20 0 GFADRP [NH3+][C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000870910272 662707645 /nfs/dbraw/zinc/70/76/45/662707645.db2.gz NCKPZXDVVGCEGL-JLSDUUJJSA-N 2 0 392.341 2.924 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000870913456 662707898 /nfs/dbraw/zinc/70/78/98/662707898.db2.gz BFVKTPAIBBBYBX-INMHGKMJSA-N 2 0 380.330 2.687 20 0 GFADRP COCC[N@@H+](Cc1cn2cc(Br)ccc2n1)CC1CC[NH+](C)CC1 ZINC000879123980 662917878 /nfs/dbraw/zinc/91/78/78/662917878.db2.gz OEUKWRCOUJDNCH-UHFFFAOYSA-N 2 0 395.345 2.887 20 0 GFADRP COCC[C@H]([NH3+])C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000884308131 663068576 /nfs/dbraw/zinc/06/85/76/663068576.db2.gz GJOZXKKXFXZPIF-KRWDZBQOSA-N 2 0 388.339 2.782 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000884394789 663070170 /nfs/dbraw/zinc/07/01/70/663070170.db2.gz NIPSQGZTXVOUTE-DOTOQJQBSA-N 2 0 380.330 2.687 20 0 GFADRP O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903737195 663805567 /nfs/dbraw/zinc/80/55/67/663805567.db2.gz QHFCTGWBSLWKHI-CQSZACIVSA-N 2 0 395.345 2.884 20 0 GFADRP C[C@H]([NH2+]C1CCN(CC[NH3+])CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000904369304 663831788 /nfs/dbraw/zinc/83/17/88/663831788.db2.gz SIGGMSYLRMSVTL-LBPRGKRZSA-N 2 0 394.317 2.573 20 0 GFADRP C[C@H](NC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000911725733 664254317 /nfs/dbraw/zinc/25/43/17/664254317.db2.gz PFPKGFKDMFRYOC-LSDHHAIUSA-N 2 0 394.357 2.575 20 0 GFADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000911867555 664259975 /nfs/dbraw/zinc/25/99/75/664259975.db2.gz KZQBXWOXFWUMFM-KRWDZBQOSA-N 2 0 396.373 2.902 20 0 GFADRP Cc1cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388200 664598230 /nfs/dbraw/zinc/59/82/30/664598230.db2.gz CVVGPDPHFLZRIE-BDXSIMOUSA-N 2 0 382.346 2.722 20 0 GFADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923284517 664627394 /nfs/dbraw/zinc/62/73/94/664627394.db2.gz OMRFVMCJLYJVNU-RISCZKNCSA-N 2 0 391.737 2.901 20 0 GFADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923284515 664627473 /nfs/dbraw/zinc/62/74/73/664627473.db2.gz OMRFVMCJLYJVNU-BXUZGUMPSA-N 2 0 391.737 2.901 20 0 GFADRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000923289630 664627611 /nfs/dbraw/zinc/62/76/11/664627611.db2.gz RFOZCLJGTJFJJG-OSMZGAPFSA-N 2 0 377.710 2.511 20 0 GFADRP [NH3+]CCCOC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923299168 664627843 /nfs/dbraw/zinc/62/78/43/664627843.db2.gz YMHMMKLWCGWGAF-AWEZNQCLSA-N 2 0 377.312 2.563 20 0 GFADRP C[NH2+]CCC1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000923328798 664628292 /nfs/dbraw/zinc/62/82/92/664628292.db2.gz VTCKXULPCPDDQW-INIZCTEOSA-N 2 0 389.309 2.649 20 0 GFADRP C[NH2+]CCC1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000923328799 664628348 /nfs/dbraw/zinc/62/83/48/664628348.db2.gz VTCKXULPCPDDQW-MRXNPFEDSA-N 2 0 389.309 2.649 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H](O)COc1ccc(Cl)cc1Cl)CC2 ZINC000923446091 664630672 /nfs/dbraw/zinc/63/06/72/664630672.db2.gz ZPDMCXFBVVLEPA-HUUCEWRRSA-N 2 0 389.323 2.563 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2sccc2Br)CC[NH2+]CC1 ZINC000925761868 664674378 /nfs/dbraw/zinc/67/43/78/664674378.db2.gz DRCDBNFCTBIINJ-GFCCVEGCSA-N 2 0 389.359 2.964 20 0 GFADRP Cc1cccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1Br ZINC000929951719 664760211 /nfs/dbraw/zinc/76/02/11/664760211.db2.gz FMCPPNFZXXHTJX-UHFFFAOYSA-N 2 0 382.346 2.647 20 0 GFADRP Fc1cccnc1N(c1ncccc1C[NH+]1CCCC1)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164691049 719761529 /nfs/dbraw/zinc/76/15/29/719761529.db2.gz KOCUJSTWWIRJMF-PGRDOPGGSA-N 2 0 397.498 2.871 20 0 GFADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(N3CCCC3)cc[nH+]2)CC1 ZINC001164833355 720328473 /nfs/dbraw/zinc/32/84/73/720328473.db2.gz WAPRUZSDPRPKLB-SFTDATJTSA-N 2 0 397.567 2.593 20 0 GFADRP Cc1[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc2[nH]ccc21 ZINC001164740514 720843155 /nfs/dbraw/zinc/84/31/55/720843155.db2.gz CFIGPSDSGOCRPY-BBTUJRGHSA-N 2 0 391.523 2.842 20 0 GFADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164985509 722130537 /nfs/dbraw/zinc/13/05/37/722130537.db2.gz ZRJXBKIRFQOACY-UNMCSNQZSA-N 2 0 393.535 2.804 20 0 GFADRP C[NH+](C)CCOCC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394516801 563530073 /nfs/dbraw/zinc/53/00/73/563530073.db2.gz FCFVWKWXQRGZFY-UHFFFAOYSA-N 2 0 380.124 2.879 20 0 GFADRP O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047970425 551155358 /nfs/dbraw/zinc/15/53/58/551155358.db2.gz JMSUKXJODCFKJD-SFHVURJKSA-N 2 0 397.357 2.997 20 0 GFADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124700602 551316796 /nfs/dbraw/zinc/31/67/96/551316796.db2.gz CNGWPPBLDQBTTG-INIZCTEOSA-N 2 0 398.393 2.574 20 0 GFADRP C[C@H]([NH2+]Cc1cccs1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000156538652 551524702 /nfs/dbraw/zinc/52/47/02/551524702.db2.gz DJZCALRDUCOYQF-HNNXBMFYSA-N 2 0 381.567 2.829 20 0 GFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261788976 553159416 /nfs/dbraw/zinc/15/94/16/553159416.db2.gz PYBLBOKPDCDZPJ-KBXCAEBGSA-N 2 0 382.346 2.860 20 0 GFADRP CCC[NH2+]CCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418472639 563217838 /nfs/dbraw/zinc/21/78/38/563217838.db2.gz MKTYZUQTXKAVDH-UHFFFAOYSA-N 2 0 385.350 2.522 20 0 GFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000295248429 563238414 /nfs/dbraw/zinc/23/84/14/563238414.db2.gz FMBKTMYELCKPRS-LJQANCHMSA-N 2 0 398.389 2.830 20 0 GFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000422770395 563348922 /nfs/dbraw/zinc/34/89/22/563348922.db2.gz WMMKGIOWCASHSQ-SWLSCSKDSA-N 2 0 389.359 2.718 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(Br)ccc2F)CC[NH2+]CC1 ZINC000422815957 563349643 /nfs/dbraw/zinc/34/96/43/563349643.db2.gz YUOVGOWHHWTQJJ-LBPRGKRZSA-N 2 0 387.293 2.999 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422888578 563349943 /nfs/dbraw/zinc/34/99/43/563349943.db2.gz CZTRVZRJSYGCEO-SFHVURJKSA-N 2 0 384.362 2.757 20 0 GFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000422903327 563350159 /nfs/dbraw/zinc/35/01/59/563350159.db2.gz FKTABZONPIYRQM-WMLDXEAASA-N 2 0 382.346 2.775 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2nc(C)c(Br)s2)CC[NH2+]CC1 ZINC000423162849 563357812 /nfs/dbraw/zinc/35/78/12/563357812.db2.gz UJHOJDRCSZOAEJ-LLVKDONJSA-N 2 0 390.347 2.625 20 0 GFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423317500 563359576 /nfs/dbraw/zinc/35/95/76/563359576.db2.gz BNWNCNHMZUEDMR-SNVBAGLBSA-N 2 0 380.341 2.681 20 0 GFADRP OC1(C[NH2+]Cc2cncc(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397655677 563532969 /nfs/dbraw/zinc/53/29/69/563532969.db2.gz YHAJBNQUVGBAMG-UHFFFAOYSA-N 2 0 390.325 2.961 20 0 GFADRP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430604233 563546482 /nfs/dbraw/zinc/54/64/82/563546482.db2.gz PTDLJVUABONWLY-HUUCEWRRSA-N 2 0 380.330 2.654 20 0 GFADRP CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431027863 563552120 /nfs/dbraw/zinc/55/21/20/563552120.db2.gz LFPJVPPAIPDPLL-UHFFFAOYSA-N 2 0 386.359 2.545 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000414695416 563750133 /nfs/dbraw/zinc/75/01/33/563750133.db2.gz AOFNMNTWZFYMAR-AWEZNQCLSA-N 2 0 380.330 2.615 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)C1 ZINC000414753345 563751785 /nfs/dbraw/zinc/75/17/85/563751785.db2.gz MAIIGZZKJMSBHZ-GUYCJALGSA-N 2 0 398.320 2.922 20 0 GFADRP CC[NH2+][C@H](C)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414937795 563754541 /nfs/dbraw/zinc/75/45/41/563754541.db2.gz CKEMIFGGOMFVTC-CQSZACIVSA-N 2 0 382.346 2.950 20 0 GFADRP Brc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(N2CCOCC2)c1 ZINC000414965665 563755200 /nfs/dbraw/zinc/75/52/00/563755200.db2.gz NQHRRPSXOMQKMG-KRWDZBQOSA-N 2 0 382.346 2.908 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292232172 563779331 /nfs/dbraw/zinc/77/93/31/563779331.db2.gz VXRJWMBTBKMAAC-DNVCBOLYSA-N 2 0 394.357 2.824 20 0 GFADRP CS[C@@H]1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000415948944 563801388 /nfs/dbraw/zinc/80/13/88/563801388.db2.gz FDEINCNFJZFVTM-ZIAGYGMSSA-N 2 0 376.448 2.673 20 0 GFADRP Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1sccc1C[NH+](C)C ZINC000447441992 563881893 /nfs/dbraw/zinc/88/18/93/563881893.db2.gz OUUJKVLGFFETAC-AWEZNQCLSA-N 2 0 378.567 2.827 20 0 GFADRP C[C@H](C[NH2+]Cc1ccnc2c(Br)cccc12)N1CC[NH+](C)CC1 ZINC000449134855 563907522 /nfs/dbraw/zinc/90/75/22/563907522.db2.gz LVDZCJWDMZVYQO-CQSZACIVSA-N 2 0 377.330 2.723 20 0 GFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000537960418 564178315 /nfs/dbraw/zinc/17/83/15/564178315.db2.gz VDNXFQRBFKBZPH-PBHICJAKSA-N 2 0 382.346 2.716 20 0 GFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000537960419 564178381 /nfs/dbraw/zinc/17/83/81/564178381.db2.gz VDNXFQRBFKBZPH-RHSMWYFYSA-N 2 0 382.346 2.716 20 0 GFADRP CO[C@@H](C[NH3+])CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000564935199 564258038 /nfs/dbraw/zinc/25/80/38/564258038.db2.gz QIIWJTFUURBILP-OAHLLOKOSA-N 2 0 388.339 2.782 20 0 GFADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000511168203 564361310 /nfs/dbraw/zinc/36/13/10/564361310.db2.gz VRGRZDKKAQEVLZ-UHFFFAOYSA-N 2 0 394.368 2.640 20 0 GFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000479295877 564435493 /nfs/dbraw/zinc/43/54/93/564435493.db2.gz XUGGWEGEPSCDKG-HOCLYGCPSA-N 2 0 382.346 2.557 20 0 GFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000517733086 564541130 /nfs/dbraw/zinc/54/11/30/564541130.db2.gz WVBYCYJNEMHOJY-WBVHZDCISA-N 2 0 385.346 2.899 20 0 GFADRP C[C@H]1CC[N@H+](CC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000571819108 564567968 /nfs/dbraw/zinc/56/79/68/564567968.db2.gz PEMTXDABFKRAKO-HNNXBMFYSA-N 2 0 394.357 2.872 20 0 GFADRP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000582839731 564864263 /nfs/dbraw/zinc/86/42/63/564864263.db2.gz JCCZHAPRWHWIMD-ZACQAIPSSA-N 2 0 380.330 2.689 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1SCCc2sccc21 ZINC000463627262 564885053 /nfs/dbraw/zinc/88/50/53/564885053.db2.gz JGDAMDVTAQSPNH-QAPCUYQASA-N 2 0 381.611 2.953 20 0 GFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000470001849 565034934 /nfs/dbraw/zinc/03/49/34/565034934.db2.gz DTKZTYGHOWEVLP-DOTOQJQBSA-N 2 0 394.357 2.696 20 0 GFADRP CN1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638682106 565206634 /nfs/dbraw/zinc/20/66/34/565206634.db2.gz QKYGCMOGZQCURH-ZWKOTPCHSA-N 2 0 396.373 2.631 20 0 GFADRP Fc1ccc(I)c(F)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591281813 565220808 /nfs/dbraw/zinc/22/08/08/565220808.db2.gz LLJNZLIKWCGFPN-LBPRGKRZSA-N 2 0 378.204 2.801 20 0 GFADRP O=C(c1sc2c(c1Br)CNC2)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000662337733 565361412 /nfs/dbraw/zinc/36/14/12/565361412.db2.gz DXGJRFLSOSLNBM-GFCCVEGCSA-N 2 0 384.343 2.718 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000662590501 565378319 /nfs/dbraw/zinc/37/83/19/565378319.db2.gz AILIPIIBFDSYBE-DNVCBOLYSA-N 2 0 394.357 2.861 20 0 GFADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698239 565382000 /nfs/dbraw/zinc/38/20/00/565382000.db2.gz JWVWXRHINOQBKA-XJKSGUPXSA-N 2 0 375.460 2.618 20 0 GFADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698230 565382499 /nfs/dbraw/zinc/38/24/99/565382499.db2.gz JWVWXRHINOQBKA-CJNGLKHVSA-N 2 0 375.460 2.618 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(Br)c2)CC1 ZINC000663504458 565423874 /nfs/dbraw/zinc/42/38/74/565423874.db2.gz XWKGZWOCBACHNZ-UHFFFAOYSA-N 2 0 398.345 2.538 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2sc(C)cc2Br)CC1 ZINC000663507182 565423996 /nfs/dbraw/zinc/42/39/96/565423996.db2.gz ZPVDQMRISNUWSG-UHFFFAOYSA-N 2 0 388.375 2.899 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(Br)c(C)c2)CC1 ZINC000663504579 565424068 /nfs/dbraw/zinc/42/40/68/565424068.db2.gz YDQLSMBGBGVSHB-UHFFFAOYSA-N 2 0 382.346 2.838 20 0 GFADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1sccc1Br ZINC000643530265 565435322 /nfs/dbraw/zinc/43/53/22/565435322.db2.gz SHGAPTLFAKNSOG-MWLCHTKSSA-N 2 0 386.281 2.997 20 0 GFADRP C[C@H](C[NH2+][C@H]1CCc2ccc(I)cc21)N1CC[NH+](C)CC1 ZINC000595012815 565442570 /nfs/dbraw/zinc/44/25/70/565442570.db2.gz OSGNYNSRRJOYIQ-DYVFJYSZSA-N 2 0 399.320 2.504 20 0 GFADRP C[C@@H](CCNc1ncnc(NCC[C@H](C)[NH+](C)C)c1Br)[NH+](C)C ZINC000664246606 565456561 /nfs/dbraw/zinc/45/65/61/565456561.db2.gz VQPQSUIQVPFXKR-STQMWFEESA-N 3 0 387.370 2.743 20 0 GFADRP CN(CCC[NH2+]Cc1ccnc2c(Br)cccc12)CC[NH+](C)C ZINC000623087376 565495548 /nfs/dbraw/zinc/49/55/48/565495548.db2.gz OHQAUPDDLKZKML-UHFFFAOYSA-N 2 0 379.346 2.970 20 0 GFADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000645195639 565517073 /nfs/dbraw/zinc/51/70/73/565517073.db2.gz QWFVLTUZCBCPCZ-GFCCVEGCSA-N 2 0 398.320 2.982 20 0 GFADRP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000623888537 565533965 /nfs/dbraw/zinc/53/39/65/565533965.db2.gz KEUWGNFTHKLYEQ-CHWSQXEVSA-N 2 0 378.870 2.910 20 0 GFADRP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1cc(Br)ccc1F ZINC000647798113 565676976 /nfs/dbraw/zinc/67/69/76/565676976.db2.gz LMGKXJRLKDRHHC-UICACZKSSA-N 2 0 385.321 2.717 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000648272264 565699536 /nfs/dbraw/zinc/69/95/36/565699536.db2.gz XZGNDOQQFVAPIO-UHFFFAOYSA-N 2 0 399.308 2.635 20 0 GFADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]CCOCCC[NH3+] ZINC000600708963 565745661 /nfs/dbraw/zinc/74/56/61/565745661.db2.gz IZVPDXFZBUGWSH-ZDUSSCGKSA-N 2 0 376.282 2.567 20 0 GFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000629654338 565865273 /nfs/dbraw/zinc/86/52/73/565865273.db2.gz PLNZYGYCNKSLOP-UHFFFAOYSA-N 2 0 380.124 2.879 20 0 GFADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+](C)CCOCC[NH3+] ZINC000629665870 565866211 /nfs/dbraw/zinc/86/62/11/565866211.db2.gz QLDYFCJNDSMKPR-UHFFFAOYSA-N 2 0 381.318 2.659 20 0 GFADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346631 565922839 /nfs/dbraw/zinc/92/28/39/565922839.db2.gz BVUMQKAWTZKKPD-DZKIICNBSA-N 2 0 385.961 2.578 20 0 GFADRP COc1cc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(F)cc1Br ZINC000631064859 565936305 /nfs/dbraw/zinc/93/63/05/565936305.db2.gz TTXFAMNPAXKCSK-ZDUSSCGKSA-N 2 0 388.325 2.570 20 0 GFADRP Brc1cnccc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000631056932 565936919 /nfs/dbraw/zinc/93/69/19/565936919.db2.gz PHAAMWWYZUZAGK-UHFFFAOYSA-N 2 0 390.329 2.541 20 0 GFADRP COc1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)c(F)cc1Br ZINC000631084046 565940008 /nfs/dbraw/zinc/94/00/08/565940008.db2.gz QOPJOABWWCILMF-UHFFFAOYSA-N 2 0 388.325 2.712 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679341878 566038528 /nfs/dbraw/zinc/03/85/28/566038528.db2.gz YUKXXSUHSYOFPP-IRXDYDNUSA-N 2 0 383.330 2.716 20 0 GFADRP [NH3+]C[C@@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(F)(F)F ZINC000655911878 566095021 /nfs/dbraw/zinc/09/50/21/566095021.db2.gz ICOZJTITCQBLMR-UONOGXRCSA-N 2 0 378.826 2.666 20 0 GFADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736453982 598899033 /nfs/dbraw/zinc/89/90/33/598899033.db2.gz VRVILBDKUHMGDF-UHFFFAOYSA-N 2 0 399.543 2.639 20 0 GFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735857779 599484003 /nfs/dbraw/zinc/48/40/03/599484003.db2.gz ZBCBXNIKYQXCID-UHFFFAOYSA-N 2 0 390.495 2.644 20 0 GFADRP c1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826514042 607750739 /nfs/dbraw/zinc/75/07/39/607750739.db2.gz FMDCTVIJNVGRIG-UHFFFAOYSA-N 2 0 384.528 2.834 20 0 GFADRP c1sc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1-c1nn[nH]n1 ZINC000826521733 608135834 /nfs/dbraw/zinc/13/58/34/608135834.db2.gz XATKJRQNQINBET-IPELMVKDSA-N 2 0 380.521 2.928 20 0 GFADRP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826518547 608738086 /nfs/dbraw/zinc/73/80/86/608738086.db2.gz RBBBUQDEZCGCCM-UHFFFAOYSA-N 2 0 394.527 2.602 20 0 GFADRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)c3ccccc3Br)CC2)CC1 ZINC000818988123 660241968 /nfs/dbraw/zinc/24/19/68/660241968.db2.gz KVLQEFCSJAMUOH-LJQANCHMSA-N 2 0 396.373 2.631 20 0 GFADRP COc1cc2[nH+]ccc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c2cc1Br ZINC000819910875 660274379 /nfs/dbraw/zinc/27/43/79/660274379.db2.gz BVGUGZRWAREVME-STQMWFEESA-N 2 0 392.297 2.703 20 0 GFADRP COc1cc2[nH+]ccc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c2cc1Br ZINC000819910873 660274488 /nfs/dbraw/zinc/27/44/88/660274488.db2.gz BVGUGZRWAREVME-QWHCGFSZSA-N 2 0 392.297 2.703 20 0 GFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@@H+]1C ZINC000127072053 654824022 /nfs/dbraw/zinc/82/40/22/654824022.db2.gz JXDNFXDGDNROFQ-HOTGVXAUSA-N 2 0 385.599 2.538 20 0 GFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000127974585 654839206 /nfs/dbraw/zinc/83/92/06/654839206.db2.gz KTRFCJIYFJXUCE-YOEHRIQHSA-N 2 0 380.330 2.613 20 0 GFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@H](O)c2cccc(Br)c2)CC1 ZINC000839639422 661097816 /nfs/dbraw/zinc/09/78/16/661097816.db2.gz JCDCXQXQIFHFAV-IBGZPJMESA-N 2 0 398.389 2.830 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000566056249 655424386 /nfs/dbraw/zinc/42/43/86/655424386.db2.gz FLSZLUAIOBFJSE-XVSDVWIESA-N 2 0 394.357 2.789 20 0 GFADRP C[N@@H+]1CCC[C@H]2CN(Cn3nc(Br)c(=O)c4ccccc43)CC[C@H]21 ZINC000245749319 655428533 /nfs/dbraw/zinc/42/85/33/655428533.db2.gz XEJLJECEGUYMRL-DZGCQCFKSA-N 2 0 391.313 2.533 20 0 GFADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000261737805 655442014 /nfs/dbraw/zinc/44/20/14/655442014.db2.gz NRZOXCAUCJYMBY-CQSZACIVSA-N 2 0 382.346 2.948 20 0 GFADRP COc1cc(C[NH2+]CCCCCC[NH3+])cc(I)c1OC ZINC000843128302 661370316 /nfs/dbraw/zinc/37/03/16/661370316.db2.gz VLJQYKCTQCNVDY-UHFFFAOYSA-N 2 0 392.281 2.917 20 0 GFADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)c1cccs1 ZINC000870854654 662703563 /nfs/dbraw/zinc/70/35/63/662703563.db2.gz QYWWEXJCWJUHMA-DZGCQCFKSA-N 2 0 382.327 2.930 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000870951848 662711279 /nfs/dbraw/zinc/71/12/79/662711279.db2.gz WWEIWNXKFACOIS-NVXWUHKLSA-N 2 0 380.330 2.687 20 0 GFADRP C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC000873270857 662804819 /nfs/dbraw/zinc/80/48/19/662804819.db2.gz BQBOXNWMCYWWCJ-NHYWBVRUSA-N 2 0 387.343 2.645 20 0 GFADRP [NH3+][C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000884227305 663067272 /nfs/dbraw/zinc/06/72/72/663067272.db2.gz MLWMEPWHVFSATP-WMLDXEAASA-N 2 0 380.330 2.783 20 0 GFADRP [NH3+][C@@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccc(Br)cc1 ZINC000884409863 663070333 /nfs/dbraw/zinc/07/03/33/663070333.db2.gz UUANZISPNDJWSG-DLBZAZTESA-N 2 0 390.281 2.749 20 0 GFADRP CC1CC[NH+](CCCC[NH2+]Cc2cn(C)nc2I)CC1 ZINC000894180194 663447112 /nfs/dbraw/zinc/44/71/12/663447112.db2.gz FGBMBOZSTHDSTR-UHFFFAOYSA-N 2 0 390.313 2.626 20 0 GFADRP C[C@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000894933028 663489575 /nfs/dbraw/zinc/48/95/75/663489575.db2.gz QASUWABXLHXGJM-MJGOQNOKSA-N 2 0 394.357 2.647 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2ccc(Br)c(F)c2)cnn1C ZINC000903914363 663811136 /nfs/dbraw/zinc/81/11/36/663811136.db2.gz TWMVACBJQGKXFP-CQSZACIVSA-N 2 0 383.309 2.880 20 0 GFADRP [NH3+][C@H](CC(=O)Nc1ccc2c(c1)C[NH2+]CC2)Cc1ccc(Br)cc1 ZINC000911808908 664256920 /nfs/dbraw/zinc/25/69/20/664256920.db2.gz DJCRHCOEULFEBW-KRWDZBQOSA-N 2 0 388.309 2.993 20 0 GFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000922501818 664604589 /nfs/dbraw/zinc/60/45/89/664604589.db2.gz BOLKPMJXAHGWKW-UHFFFAOYSA-N 2 0 385.961 2.874 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)C1 ZINC000923389749 664629404 /nfs/dbraw/zinc/62/94/04/664629404.db2.gz WEPKYGMBWTXNPI-DDBAPUKQSA-N 2 0 383.330 2.701 20 0 GFADRP [NH3+]C1CCN(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000925812400 664675261 /nfs/dbraw/zinc/67/52/61/664675261.db2.gz PKQZERXYZGRDOZ-LJQANCHMSA-N 2 0 396.373 2.930 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC12CC[NH2+]CC2 ZINC000925854184 664676207 /nfs/dbraw/zinc/67/62/07/664676207.db2.gz LHKQLXDAXGQIIH-GDBMZVCRSA-N 2 0 379.298 2.711 20 0 GFADRP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(OC5CC[NH2+]CC5)nn4)[C@H]3C2)cc1 ZINC001164629009 719099012 /nfs/dbraw/zinc/09/90/12/719099012.db2.gz PUEHUSXUQKTNHH-CTNGQTDRSA-N 2 0 393.535 2.708 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164827177 720323005 /nfs/dbraw/zinc/32/30/05/720323005.db2.gz HBOCBGCMROCUQA-PMACEKPBSA-N 2 0 386.540 2.780 20 0 GFADRP c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[N@@H+]3C2)c1 ZINC001164871003 721138888 /nfs/dbraw/zinc/13/88/88/721138888.db2.gz CVYPUTMJCOAHRT-VXKWHMMOSA-N 2 0 393.535 2.552 20 0 GFADRP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc(OCC3CC[NH2+]CC3)nn2)c1 ZINC001164937703 721914435 /nfs/dbraw/zinc/91/44/35/721914435.db2.gz PDHUQCZHARMEBW-HDICACEKSA-N 2 0 399.564 2.770 20 0 GFADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(N4CC[NH2+]CC4)cn2)C3)c1 ZINC001164997176 722205765 /nfs/dbraw/zinc/20/57/65/722205765.db2.gz WRIAMQYMNGHMKW-QHCPKHFHSA-N 2 0 395.526 2.875 20 0 GFADRP Clc1ccc(I)c(C[NH2+]CCCN2CCOCC2)c1 ZINC000236068748 553068620 /nfs/dbraw/zinc/06/86/20/553068620.db2.gz SZZYNJMNZQHFCI-UHFFFAOYSA-N 2 0 394.684 2.757 20 0 GFADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162565444 551609870 /nfs/dbraw/zinc/60/98/70/551609870.db2.gz TXCXAJNDHHUJKO-AWEZNQCLSA-N 2 0 381.318 2.764 20 0 GFADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000168918564 551634575 /nfs/dbraw/zinc/63/45/75/551634575.db2.gz QVOTVZAIWIWDDL-GOSISDBHSA-N 2 0 383.989 2.857 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1c[nH]cn1 ZINC000192972274 552978958 /nfs/dbraw/zinc/97/89/58/552978958.db2.gz CPKBLJLIHAODKR-UHFFFAOYSA-N 2 0 379.302 2.695 20 0 GFADRP O=C(C[C@H]1CSCC[NH2+]1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000237877099 553083559 /nfs/dbraw/zinc/08/35/59/553083559.db2.gz WAUUDRBIFLKZAU-KRWDZBQOSA-N 2 0 381.973 2.763 20 0 GFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261885033 553161673 /nfs/dbraw/zinc/16/16/73/553161673.db2.gz ZPWKHAQOBXVNLR-SJLPKXTDSA-N 2 0 382.346 2.956 20 0 GFADRP C[NH2+]CCC1CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000261983629 553164271 /nfs/dbraw/zinc/16/42/71/553164271.db2.gz JCBMYDBBLRVJEC-UHFFFAOYSA-N 2 0 388.375 2.791 20 0 GFADRP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423496385 563361146 /nfs/dbraw/zinc/36/11/46/563361146.db2.gz WTEZBKUIYMIFKI-CJNGLKHVSA-N 2 0 388.293 2.580 20 0 GFADRP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000295170197 563232328 /nfs/dbraw/zinc/23/23/28/563232328.db2.gz LJUJVTPIMXDCGQ-CABCVRRESA-N 2 0 384.293 2.505 20 0 GFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000370573190 563248860 /nfs/dbraw/zinc/24/88/60/563248860.db2.gz AJNDGYMTLKMKAL-MRXNPFEDSA-N 2 0 385.599 2.755 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422906804 563350464 /nfs/dbraw/zinc/35/04/64/563350464.db2.gz KKVSCRCJXXRDOW-RHSMWYFYSA-N 2 0 382.346 2.905 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(F)ccc2Br)CC[NH2+]CC1 ZINC000422945766 563351407 /nfs/dbraw/zinc/35/14/07/563351407.db2.gz NUHFEAMQNIKIHD-LBPRGKRZSA-N 2 0 387.293 2.999 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000423106391 563355444 /nfs/dbraw/zinc/35/54/44/563355444.db2.gz ZTIWWNRJOZCABD-MRCXROJRSA-N 2 0 394.684 2.787 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423329884 563359495 /nfs/dbraw/zinc/35/94/95/563359495.db2.gz BOZHFSIUZZRXTK-UHFFFAOYSA-N 2 0 392.341 2.871 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CCc2c1cccc2Br)N1CC[NH2+]CC1 ZINC000423387007 563360552 /nfs/dbraw/zinc/36/05/52/563360552.db2.gz LVSYKGLWXTUDGJ-LSDHHAIUSA-N 2 0 392.263 2.862 20 0 GFADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Br ZINC000423383563 563360625 /nfs/dbraw/zinc/36/06/25/563360625.db2.gz JNFHVCSJBYOZNT-RISCZKNCSA-N 2 0 380.252 2.936 20 0 GFADRP COc1cc2[nH+]ccc(N3CCC([NH2+]CCO)CC3)c2cc1Br ZINC000425249791 563415071 /nfs/dbraw/zinc/41/50/71/563415071.db2.gz USHZCRVYEMEAEU-UHFFFAOYSA-N 2 0 380.286 2.557 20 0 GFADRP COc1cc2[nH+]ccc(N3C[C@H](C)[N@H+](CCO)C[C@H]3C)c2cc1Br ZINC000425265443 563415823 /nfs/dbraw/zinc/41/58/23/563415823.db2.gz DPYOYGNRVBVIMZ-QWHCGFSZSA-N 2 0 394.313 2.897 20 0 GFADRP Cc1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1Br ZINC000286421411 563559299 /nfs/dbraw/zinc/55/92/99/563559299.db2.gz PUHXSKKOZGZDQF-AGUYFDCRSA-N 2 0 381.318 2.648 20 0 GFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2cn3ccc(Br)cc3n2)CC1 ZINC000289400660 563673907 /nfs/dbraw/zinc/67/39/07/563673907.db2.gz AHTYFJZMNJUTFE-IAGOWNOFSA-N 2 0 393.329 2.564 20 0 GFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2cn3ccc(Br)cc3n2)CC1 ZINC000289400656 563673948 /nfs/dbraw/zinc/67/39/48/563673948.db2.gz AHTYFJZMNJUTFE-DLBZAZTESA-N 2 0 393.329 2.564 20 0 GFADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)nc1 ZINC000289762806 563685590 /nfs/dbraw/zinc/68/55/90/563685590.db2.gz NCIYVQOJARVPFM-CQSZACIVSA-N 2 0 390.329 2.842 20 0 GFADRP C[C@H](C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739669 563751678 /nfs/dbraw/zinc/75/16/78/563751678.db2.gz JDDWAUFMPMFTNV-KGLIPLIRSA-N 2 0 388.339 2.890 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000414940807 563755233 /nfs/dbraw/zinc/75/52/33/563755233.db2.gz KLYPZAPAFHADOH-RDTXWAMCSA-N 2 0 394.357 2.950 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]CC2(c3ccc(Br)cc3)CCC2)C1 ZINC000415082467 563758439 /nfs/dbraw/zinc/75/84/39/563758439.db2.gz OKVXCNMMZLUYHZ-HNNXBMFYSA-N 2 0 394.357 2.658 20 0 GFADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)s1 ZINC000444768410 563836950 /nfs/dbraw/zinc/83/69/50/563836950.db2.gz WPJAWVVYLTUEQC-NSHDSACASA-N 2 0 386.359 2.904 20 0 GFADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000418021970 563895722 /nfs/dbraw/zinc/89/57/22/563895722.db2.gz KLAAADOMSXQTOV-HNNXBMFYSA-N 2 0 394.317 2.689 20 0 GFADRP [NH3+]C1(CNC(=O)c2cc(Br)c[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000564828369 564250958 /nfs/dbraw/zinc/25/09/58/564250958.db2.gz VIHDDQFPZNBKHR-UHFFFAOYSA-N 2 0 391.313 2.501 20 0 GFADRP O=S1(=O)CC[C@H]([NH2+]CCC2=CC[NH2+]CC2)c2cc(Br)ccc21 ZINC000566092094 564308363 /nfs/dbraw/zinc/30/83/63/564308363.db2.gz CWRWLLBJPGNNSU-HNNXBMFYSA-N 2 0 385.327 2.567 20 0 GFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510656123 564342375 /nfs/dbraw/zinc/34/23/75/564342375.db2.gz KPYMZLZDVQYCNK-WMLDXEAASA-N 2 0 380.330 2.613 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(I)cc2)[C@@H](C)C1 ZINC000511053826 564354582 /nfs/dbraw/zinc/35/45/82/564354582.db2.gz ZNJRDXJDAWZIQQ-BBRMVZONSA-N 2 0 388.293 2.990 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000451997409 564378449 /nfs/dbraw/zinc/37/84/49/564378449.db2.gz ZLODCNBAIRMIIE-UHFFFAOYSA-N 2 0 387.355 2.938 20 0 GFADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000567891643 564394498 /nfs/dbraw/zinc/39/44/98/564394498.db2.gz NGTHHJNHIYHGQY-BDVYOWHSSA-N 2 0 385.346 2.899 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453090243 564445849 /nfs/dbraw/zinc/44/58/49/564445849.db2.gz BVRRVEFTDHZZRS-DNVCBOLYSA-N 2 0 380.374 2.996 20 0 GFADRP C[C@@]([NH3+])(C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000571998447 564576397 /nfs/dbraw/zinc/57/63/97/564576397.db2.gz KJVLAENUVAHFRV-SFHVURJKSA-N 2 0 380.330 2.614 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)COc1cccc(Br)c1 ZINC000521996603 564641494 /nfs/dbraw/zinc/64/14/94/564641494.db2.gz YBKJKCSSFCXLTK-QGZVFWFLSA-N 2 0 383.330 2.795 20 0 GFADRP COCCN(C)C[C@H](O)C[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000575326789 564696925 /nfs/dbraw/zinc/69/69/25/564696925.db2.gz FTVBIABGWQUJHY-MRXNPFEDSA-N 2 0 387.362 2.607 20 0 GFADRP Cc1cc(Br)cc2c1[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)CC2 ZINC000493977358 564814977 /nfs/dbraw/zinc/81/49/77/564814977.db2.gz NMHOGJAMTCOUSC-DOTOQJQBSA-N 2 0 394.357 2.922 20 0 GFADRP Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)ccc1Br ZINC000582546920 564850934 /nfs/dbraw/zinc/85/09/34/564850934.db2.gz SXATWVKOTBQQSX-QGZVFWFLSA-N 2 0 380.330 2.716 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Br)c(Cl)c1F ZINC000582585293 564853165 /nfs/dbraw/zinc/85/31/65/564853165.db2.gz VKZRJVPOPFBVIY-UHFFFAOYSA-N 2 0 394.716 2.807 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000530881351 564896751 /nfs/dbraw/zinc/89/67/51/564896751.db2.gz WVLOMUFKFFALDI-UHFFFAOYSA-N 2 0 399.308 2.635 20 0 GFADRP COc1nsc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)c1Br ZINC000638811036 565213224 /nfs/dbraw/zinc/21/32/24/565213224.db2.gz GUJMIZLLYYXADC-UHFFFAOYSA-N 2 0 398.330 2.673 20 0 GFADRP Brc1cccc(OC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662280355 565357398 /nfs/dbraw/zinc/35/73/98/565357398.db2.gz OLELMOQSKSCONB-KRWDZBQOSA-N 2 0 381.314 2.813 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)[C@@H](N)c1ccccc1Br)Cc1ccccc1 ZINC000662344562 565361689 /nfs/dbraw/zinc/36/16/89/565361689.db2.gz CAUUVUNDTCUONY-YJBOKZPZSA-N 2 0 390.325 2.738 20 0 GFADRP O=C(c1sc2c(c1Br)CNC2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662336669 565361912 /nfs/dbraw/zinc/36/19/12/565361912.db2.gz HKFVBOQWNGOPJK-JQWIXIFHSA-N 2 0 384.343 2.718 20 0 GFADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2sc3c(c2Br)CNC3)C1 ZINC000662589790 565378376 /nfs/dbraw/zinc/37/83/76/565378376.db2.gz FCACXYPBAGGOEL-SNVBAGLBSA-N 2 0 386.359 2.964 20 0 GFADRP C[C@]([NH3+])(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000662834763 565387481 /nfs/dbraw/zinc/38/74/81/565387481.db2.gz JZHCRLUQAOLLMB-JFIYKMOQSA-N 2 0 380.330 2.756 20 0 GFADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)COc1cccc(Br)c1 ZINC000663374057 565416707 /nfs/dbraw/zinc/41/67/07/565416707.db2.gz CGAAQZGNFMVXHA-GOSISDBHSA-N 2 0 397.357 2.900 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000663497356 565422618 /nfs/dbraw/zinc/42/26/18/565422618.db2.gz FPLSPPJNEQDTOI-UHFFFAOYSA-N 2 0 392.341 2.704 20 0 GFADRP C[N@@H+]1CC[C@@]2(CCN([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446879 565631301 /nfs/dbraw/zinc/63/13/01/565631301.db2.gz WHUOKSOEGDEOGB-SJLPKXTDSA-N 2 0 378.314 2.730 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccsc1 ZINC000626934171 565715890 /nfs/dbraw/zinc/71/58/90/565715890.db2.gz CFFIMRQZRGKOCY-HZSPNIEDSA-N 2 0 378.464 2.520 20 0 GFADRP C[C@H](CCc1ccc(I)cc1)[NH2+]CCOCCC[NH3+] ZINC000600708962 565745932 /nfs/dbraw/zinc/74/59/32/565745932.db2.gz IZVPDXFZBUGWSH-CYBMUJFWSA-N 2 0 376.282 2.567 20 0 GFADRP C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000671766687 565785503 /nfs/dbraw/zinc/78/55/03/565785503.db2.gz TWUVEDOBXBNAJY-LBPRGKRZSA-N 2 0 394.368 2.592 20 0 GFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Br)c1O ZINC000650708169 565833322 /nfs/dbraw/zinc/83/33/22/565833322.db2.gz UQUJKPWKQURIMA-NOLJZWGESA-N 2 0 399.329 2.882 20 0 GFADRP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000652352604 565922658 /nfs/dbraw/zinc/92/26/58/565922658.db2.gz DHWORYWZTTYGHA-XCRHUMRWSA-N 2 0 378.314 2.615 20 0 GFADRP [NH3+]C[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(F)(F)F ZINC000655911877 566095459 /nfs/dbraw/zinc/09/54/59/566095459.db2.gz ICOZJTITCQBLMR-KGLIPLIRSA-N 2 0 378.826 2.666 20 0 GFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ncc(Br)cc1F ZINC000635011218 566188640 /nfs/dbraw/zinc/18/86/40/566188640.db2.gz YHRPGRGLPKKBBE-NSHDSACASA-N 2 0 380.265 2.961 20 0 GFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000825981744 607494344 /nfs/dbraw/zinc/49/43/44/607494344.db2.gz XLJFRYWGMRRFHM-UHFFFAOYSA-N 2 0 377.496 2.606 20 0 GFADRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826193717 607750592 /nfs/dbraw/zinc/75/05/92/607750592.db2.gz MSDWJZNMDGKXHJ-UHFFFAOYSA-N 2 0 384.528 2.963 20 0 GFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824929388 608282540 /nfs/dbraw/zinc/28/25/40/608282540.db2.gz WYWQLMJJRFAXOM-VQIMIIECSA-N 2 0 384.528 2.878 20 0 GFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C[C@H](C)O1 ZINC000824983725 608505395 /nfs/dbraw/zinc/50/53/95/608505395.db2.gz BZFUKCHUCXVYEL-GQIGUUNPSA-N 2 0 384.528 2.723 20 0 GFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000824625447 609407847 /nfs/dbraw/zinc/40/78/47/609407847.db2.gz IHPLJSWPZXKOKD-HRAATJIYSA-N 2 0 392.507 2.674 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Br)s1 ZINC000040214967 654620971 /nfs/dbraw/zinc/62/09/71/654620971.db2.gz WJTGLAPLNRZNGR-UHFFFAOYSA-N 2 0 376.364 2.856 20 0 GFADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@@H]1c1cccc(Cl)c1 ZINC000133894672 654976711 /nfs/dbraw/zinc/97/67/11/654976711.db2.gz FJHYBRKQSYULOE-SUMDDJOVSA-N 2 0 381.973 2.934 20 0 GFADRP Cc1ccc(Cl)cc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000071887271 655001597 /nfs/dbraw/zinc/00/15/97/655001597.db2.gz VEDVUKHKIFUGSH-UHFFFAOYSA-N 2 0 375.966 2.543 20 0 GFADRP C[NH+](C)CC1CC[NH+](CN2CC[C@H](c3cccc(Br)c3)C2=O)CC1 ZINC000840001319 661123028 /nfs/dbraw/zinc/12/30/28/661123028.db2.gz ZWFASOFNQXAMOV-GOSISDBHSA-N 2 0 394.357 2.996 20 0 GFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000578523326 655481158 /nfs/dbraw/zinc/48/11/58/655481158.db2.gz XPQBPDJWVXPHAD-WCQYABFASA-N 2 0 379.726 2.772 20 0 GFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccccc1I ZINC000757947114 655919533 /nfs/dbraw/zinc/91/95/33/655919533.db2.gz UTODXHLINXMCKH-UHFFFAOYSA-N 2 0 376.282 2.739 20 0 GFADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Br)nc1 ZINC000810209383 659966386 /nfs/dbraw/zinc/96/63/86/659966386.db2.gz PZGSCFSLRDUXBW-AWEZNQCLSA-N 2 0 390.329 2.842 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(Br)c1 ZINC000849098177 661691858 /nfs/dbraw/zinc/69/18/58/661691858.db2.gz FZQQOJDHJPVXSK-DZGCQCFKSA-N 2 0 383.334 2.815 20 0 GFADRP C[NH+](C)C[C@@H]1CN(c2ncc(Br)cc2Cl)C[C@H]1C[NH+](C)C ZINC000866009976 662456238 /nfs/dbraw/zinc/45/62/38/662456238.db2.gz BSZDODPSARJAFH-VXGBXAGGSA-N 2 0 375.742 2.673 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(Br)c1 ZINC000870917741 662708296 /nfs/dbraw/zinc/70/82/96/662708296.db2.gz ZAVFGMMLWGZKOP-QGZVFWFLSA-N 2 0 380.330 2.926 20 0 GFADRP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1Br ZINC000877041137 662870082 /nfs/dbraw/zinc/87/00/82/662870082.db2.gz IOYKKOJMUGUMTO-OAHLLOKOSA-N 2 0 399.329 2.562 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2COc3cccc(Br)c3C2)CC1 ZINC000877758514 662882951 /nfs/dbraw/zinc/88/29/51/662882951.db2.gz GKFYSKBKIVRWAM-CQSZACIVSA-N 2 0 383.330 2.578 20 0 GFADRP c1csc([C@@H]2CC[NH+](CCOCC[N@@H+]3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319225 662957927 /nfs/dbraw/zinc/95/79/27/662957927.db2.gz CZVYHLNBGNNMOO-IYBDPMFKSA-N 2 0 378.567 2.895 20 0 GFADRP [NH3+][C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000884227304 663067214 /nfs/dbraw/zinc/06/72/14/663067214.db2.gz MLWMEPWHVFSATP-RHSMWYFYSA-N 2 0 380.330 2.783 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000884394651 663070179 /nfs/dbraw/zinc/07/01/79/663070179.db2.gz KMQFBSRUEGWXHD-RDJZCZTQSA-N 2 0 380.330 2.687 20 0 GFADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000891786918 663350364 /nfs/dbraw/zinc/35/03/64/663350364.db2.gz PPLAILRFKIJYBF-MAUKXSAKSA-N 2 0 388.394 2.576 20 0 GFADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000892950237 663390705 /nfs/dbraw/zinc/39/07/05/663390705.db2.gz AUOFPRFGVCSFSN-KRWDZBQOSA-N 2 0 398.345 2.734 20 0 GFADRP Cn1ncc(I)c1C[NH2+]CCCCCCC[NH+](C)C ZINC000894207926 663448847 /nfs/dbraw/zinc/44/88/47/663448847.db2.gz BCYABXYSTMVYPH-UHFFFAOYSA-N 2 0 378.302 2.626 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)[C@@H](C)C1 ZINC000903477488 663785306 /nfs/dbraw/zinc/78/53/06/663785306.db2.gz CNKLEILWXUNLOB-JYJNAYRXSA-N 2 0 399.377 2.687 20 0 GFADRP C[N@H+](CCc1ccc(Br)cc1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903891048 663810313 /nfs/dbraw/zinc/81/03/13/663810313.db2.gz IQYRXJZRDVLADG-MRXNPFEDSA-N 2 0 378.318 2.640 20 0 GFADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc2ccc(F)c(Br)c2)cnn1C ZINC000903923479 663811938 /nfs/dbraw/zinc/81/19/38/663811938.db2.gz VEIIPDSJPRGGOV-WFASDCNBSA-N 2 0 397.336 2.968 20 0 GFADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncc(Br)c3)C2)[C@@H]1C(C)C ZINC000922395153 664599387 /nfs/dbraw/zinc/59/93/87/664599387.db2.gz UJHGHYZWIVMYOW-BDXSIMOUSA-N 2 0 382.346 2.804 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCC(=O)Nc1cccc(Br)c1)CC2 ZINC000923448458 664630729 /nfs/dbraw/zinc/63/07/29/664630729.db2.gz CIHOXBPYINXBNJ-MRXNPFEDSA-N 2 0 396.329 2.608 20 0 GFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924629081 664659077 /nfs/dbraw/zinc/65/90/77/664659077.db2.gz MOSAAXLSSDIJFD-KRWDZBQOSA-N 2 0 381.362 2.837 20 0 GFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000925217344 664668741 /nfs/dbraw/zinc/66/87/41/664668741.db2.gz YDDRJPYSOUFHTJ-KRWDZBQOSA-N 2 0 381.362 2.837 20 0 GFADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1(Br)CC1 ZINC000925440076 664672259 /nfs/dbraw/zinc/67/22/59/664672259.db2.gz YWPAZPAGUZFRIU-OAHLLOKOSA-N 2 0 394.357 2.918 20 0 GFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000925802060 664675043 /nfs/dbraw/zinc/67/50/43/664675043.db2.gz DASBSGXCLRBPBG-JMSVASOKSA-N 2 0 387.343 2.503 20 0 GFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000925803563 664675093 /nfs/dbraw/zinc/67/50/93/664675093.db2.gz RCBNVJLWDJLCRS-GMTAPVOTSA-N 2 0 380.341 2.537 20 0 GFADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(N3CCCC3)cc[nH+]2)CC1 ZINC001164833349 720329048 /nfs/dbraw/zinc/32/90/48/720329048.db2.gz WAPRUZSDPRPKLB-LEWJYISDSA-N 2 0 397.567 2.593 20 0 GFADRP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2)CC1 ZINC001164725323 720472266 /nfs/dbraw/zinc/47/22/66/720472266.db2.gz JOYIALITIRMLHC-FGZHOGPDSA-N 2 0 393.535 2.803 20 0 GFADRP c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)cn2)c1 ZINC001164724400 720481181 /nfs/dbraw/zinc/48/11/81/720481181.db2.gz FYTIEVCJXAMKIY-FCHUYYIVSA-N 2 0 393.535 2.708 20 0 GFADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)[C@@H]2C ZINC001164863582 720990465 /nfs/dbraw/zinc/99/04/65/720990465.db2.gz WVNWCTNZNYQMDJ-QGZVFWFLSA-N 3 0 397.571 2.627 20 0 GFADRP C[N@H+](Cc1ccc(N2CC[NH+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164873532 721158669 /nfs/dbraw/zinc/15/86/69/721158669.db2.gz INHIJPPKBYLYEU-VXKWHMMOSA-N 2 0 393.535 2.551 20 0 GFADRP Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(-n5ccnc5)cc[nH+]4)CC[N@@H+]3C2)c1 ZINC001164903094 721560805 /nfs/dbraw/zinc/56/08/05/721560805.db2.gz AIECJTZBVNOACL-QUCCMNQESA-N 2 0 379.439 2.748 20 0 GFADRP FC1(F)CCN(c2ccc3c(n2)CC[NH2+]C3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907978 721586819 /nfs/dbraw/zinc/58/68/19/721586819.db2.gz XQLVUNRSFYNWSE-NRFANRHFSA-N 2 0 399.489 2.860 20 0 GFADRP c1ccc(OCC[NH+]2CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)cc1 ZINC001165044046 721958609 /nfs/dbraw/zinc/95/86/09/721958609.db2.gz DLGYTMATWCJGFC-UHFFFAOYSA-N 2 0 396.535 2.757 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164980460 722124279 /nfs/dbraw/zinc/12/42/79/722124279.db2.gz RFBIYJFBUUSJHX-WIYYLYMNSA-N 2 0 377.492 2.994 20 0 GFADRP C[C@@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000127482542 551341256 /nfs/dbraw/zinc/34/12/56/551341256.db2.gz CAHVDTMWQVVFKG-WMLDXEAASA-N 2 0 382.346 2.888 20 0 GFADRP C[C@H](Cc1ccccc1Br)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000152613064 551436469 /nfs/dbraw/zinc/43/64/69/551436469.db2.gz WYUNTRKZTYKPEL-OAHLLOKOSA-N 2 0 399.377 2.515 20 0 GFADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000181689275 552265477 /nfs/dbraw/zinc/26/54/77/552265477.db2.gz AOISQGMDLVPFDO-CABCVRRESA-N 2 0 384.362 2.992 20 0 GFADRP Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1Br ZINC000261775758 553159281 /nfs/dbraw/zinc/15/92/81/553159281.db2.gz XKYIOGPPJDUPSV-AEFFLSMTSA-N 2 0 394.357 2.838 20 0 GFADRP O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420374082 563262865 /nfs/dbraw/zinc/26/28/65/563262865.db2.gz NCESXKJRWJYQSO-AWEZNQCLSA-N 2 0 386.323 2.516 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000422770293 563349042 /nfs/dbraw/zinc/34/90/42/563349042.db2.gz VWQXFQVNXFHEED-LBPRGKRZSA-N 2 0 387.293 2.999 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422797354 563349923 /nfs/dbraw/zinc/34/99/23/563349923.db2.gz MEYRYDKGSAVAAX-BNEJOLLZSA-N 2 0 383.330 2.963 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422938657 563351421 /nfs/dbraw/zinc/35/14/21/563351421.db2.gz DUMQLUSOQGCXHT-ZWKOPEQDSA-N 2 0 379.245 2.892 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]CCOc2cccc(Br)c2)CC[NH2+]CC1 ZINC000422944577 563351919 /nfs/dbraw/zinc/35/19/19/563351919.db2.gz MNCZGBIOSXYXDL-AWEZNQCLSA-N 2 0 399.329 2.739 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(Br)cc2OC)CC[NH2+]CC1 ZINC000423061758 563353641 /nfs/dbraw/zinc/35/36/41/563353641.db2.gz LLYQORQSIUOXDQ-ZDUSSCGKSA-N 2 0 399.329 2.869 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1Br ZINC000423154882 563357140 /nfs/dbraw/zinc/35/71/40/563357140.db2.gz KHIIKVSVDWOXDA-UAGQMJEPSA-N 2 0 385.346 2.858 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1Br ZINC000423161995 563357940 /nfs/dbraw/zinc/35/79/40/563357940.db2.gz ONMHRKCPVJMTKV-QRTARXTBSA-N 2 0 385.346 2.586 20 0 GFADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)s1 ZINC000423391055 563360610 /nfs/dbraw/zinc/36/06/10/563360610.db2.gz PCSLNQVPVDXQCU-ONGXEEELSA-N 2 0 386.281 2.997 20 0 GFADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(Br)cc1F)CC[NH2+]CC2 ZINC000424297554 563376285 /nfs/dbraw/zinc/37/62/85/563376285.db2.gz SXCTWORADKZRNC-LBPRGKRZSA-N 2 0 384.293 2.991 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[N@H+](CCO)[C@@H](C)C3)c2cc1Br ZINC000425243789 563414181 /nfs/dbraw/zinc/41/41/81/563414181.db2.gz QTIQKFKKCZUMNX-LBPRGKRZSA-N 2 0 380.286 2.509 20 0 GFADRP C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430604234 563546795 /nfs/dbraw/zinc/54/67/95/563546795.db2.gz PTDLJVUABONWLY-LSDHHAIUSA-N 2 0 380.330 2.654 20 0 GFADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412420295 563657135 /nfs/dbraw/zinc/65/71/35/563657135.db2.gz RPANIGAKUNJLKF-GOSISDBHSA-N 2 0 381.611 2.856 20 0 GFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)CC[NH2+]1 ZINC000414759593 563752884 /nfs/dbraw/zinc/75/28/84/563752884.db2.gz FHUNRUYHZVZTGA-UONOGXRCSA-N 2 0 378.318 2.850 20 0 GFADRP C[C@@H](C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Br)c1 ZINC000414971965 563755307 /nfs/dbraw/zinc/75/53/07/563755307.db2.gz JDZJFDCHPSAPDJ-WFASDCNBSA-N 2 0 394.279 2.978 20 0 GFADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H]1c1cccs1 ZINC000416017225 563802279 /nfs/dbraw/zinc/80/22/79/563802279.db2.gz XXDVFPUVLFZAHW-KWCYVHTRSA-N 2 0 378.464 2.710 20 0 GFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)cc1I ZINC000417962786 563892806 /nfs/dbraw/zinc/89/28/06/563892806.db2.gz CPWUNQHBPDARFJ-CQSZACIVSA-N 2 0 394.272 2.877 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473917419 564256077 /nfs/dbraw/zinc/25/60/77/564256077.db2.gz XODYOHMDPIBXNJ-CQSZACIVSA-N 2 0 394.006 2.747 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]21 ZINC000566562199 564332486 /nfs/dbraw/zinc/33/24/86/564332486.db2.gz OKWKKVIJSBOONJ-BASLNEPJSA-N 2 0 378.314 2.614 20 0 GFADRP O=C(C[N@@H+]1CCC[C@@]2(CCSC2)C1)N1CCN(Cc2cccs2)CC1 ZINC000451967282 564373074 /nfs/dbraw/zinc/37/30/74/564373074.db2.gz QPMAULBAOYLHPN-LJQANCHMSA-N 2 0 379.595 2.611 20 0 GFADRP C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C(C)(C)C[NH+](C)C ZINC000567689090 564383306 /nfs/dbraw/zinc/38/33/06/564383306.db2.gz CBQCGTGQEADLLL-SWLSCSKDSA-N 2 0 391.325 2.894 20 0 GFADRP COc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c(Br)c1 ZINC000511989506 564388703 /nfs/dbraw/zinc/38/87/03/564388703.db2.gz LWJGAEMEMLAFST-UHFFFAOYSA-N 2 0 384.362 2.963 20 0 GFADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569095247 564449098 /nfs/dbraw/zinc/44/90/98/564449098.db2.gz OLODMGVCWKHSEO-QWQRMKEZSA-N 2 0 385.936 2.683 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000569273142 564456613 /nfs/dbraw/zinc/45/66/13/564456613.db2.gz RLZIZQYQHLWTMX-UHFFFAOYSA-N 2 0 394.361 2.560 20 0 GFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000480209120 564463706 /nfs/dbraw/zinc/46/37/06/564463706.db2.gz LWVWGDFJVMUZMM-OAHLLOKOSA-N 2 0 387.343 2.599 20 0 GFADRP COc1cc(Br)ccc1CCC[NH+]1CCN(c2ncc[nH]2)CC1 ZINC000569587920 564470528 /nfs/dbraw/zinc/47/05/28/564470528.db2.gz DKZWWBIDZZEWIY-UHFFFAOYSA-N 2 0 379.302 2.936 20 0 GFADRP CSCc1cnc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)s1 ZINC000550174432 564616311 /nfs/dbraw/zinc/61/63/11/564616311.db2.gz INXLILUKKXRTDV-UHFFFAOYSA-N 2 0 384.615 2.722 20 0 GFADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000486066112 564638016 /nfs/dbraw/zinc/63/80/16/564638016.db2.gz UMRSVJGTJKPCCO-YOEHRIQHSA-N 2 0 382.346 2.537 20 0 GFADRP COCCN(C)C[C@H](O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000574766820 564688439 /nfs/dbraw/zinc/68/84/39/564688439.db2.gz SLNDOVCMWLYOPZ-SFHVURJKSA-N 2 0 385.346 2.568 20 0 GFADRP COc1cc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1S(C)(=O)=O ZINC000576990681 564722832 /nfs/dbraw/zinc/72/28/32/564722832.db2.gz PGMSTRAJAUELSH-CQSZACIVSA-N 2 0 386.583 2.577 20 0 GFADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCc1cccc(Cl)c1Cl ZINC000580714890 564770908 /nfs/dbraw/zinc/77/09/08/564770908.db2.gz NFDWNJZJSVDECK-CVEARBPZSA-N 2 0 384.351 2.974 20 0 GFADRP CSC1(C[NH2+]Cc2ncc(I)s2)CC[NH+](C)CC1 ZINC000554982033 564780232 /nfs/dbraw/zinc/78/02/32/564780232.db2.gz KQOVQKNNJOKFRL-UHFFFAOYSA-N 2 0 397.351 2.665 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCc2cccc(Br)c2C1)CN1CC[NH+](C)CC1 ZINC000555537740 564796802 /nfs/dbraw/zinc/79/68/02/564796802.db2.gz VRTZKZXRZLNHQI-NVXWUHKLSA-N 2 0 380.374 2.780 20 0 GFADRP CC(C)c1ccc(Cl)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000556360214 564820748 /nfs/dbraw/zinc/82/07/48/564820748.db2.gz LUKZMJFSNVZVFG-UHFFFAOYSA-N 2 0 375.966 2.577 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000529390265 564832851 /nfs/dbraw/zinc/83/28/51/564832851.db2.gz YEKFVJKPBXAPHO-FUHWJXTLSA-N 2 0 385.339 2.991 20 0 GFADRP O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000583736462 564905350 /nfs/dbraw/zinc/90/53/50/564905350.db2.gz ZPZBYUFMGNLOGY-UHFFFAOYSA-N 2 0 386.323 2.516 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1C ZINC000531381809 564908497 /nfs/dbraw/zinc/90/84/97/564908497.db2.gz BGARLSIFCAOAGX-BHYGNILZSA-N 2 0 385.346 2.993 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000532044400 564928187 /nfs/dbraw/zinc/92/81/87/564928187.db2.gz YUBKZLVLAJLLEG-UHFFFAOYSA-N 2 0 383.945 2.607 20 0 GFADRP Cc1c(Br)cncc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000657337599 565098579 /nfs/dbraw/zinc/09/85/79/565098579.db2.gz AXISEUYASKLMRP-UHFFFAOYSA-N 2 0 381.362 2.801 20 0 GFADRP C[C@]([NH3+])(C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000663004806 565392602 /nfs/dbraw/zinc/39/26/02/565392602.db2.gz RSBQOBZQFUPRDR-DNVCBOLYSA-N 2 0 394.357 2.861 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)sc2Br)CC1 ZINC000641724224 565396396 /nfs/dbraw/zinc/39/63/96/565396396.db2.gz BEDKHZKLGGZPDA-UHFFFAOYSA-N 2 0 398.164 2.819 20 0 GFADRP C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)NC/C=C/C[NH3+])CC1 ZINC000641862316 565401135 /nfs/dbraw/zinc/40/11/35/565401135.db2.gz MDMOWQLZPMQFIJ-SNAWJCMRSA-N 2 0 395.345 2.570 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000663503996 565423835 /nfs/dbraw/zinc/42/38/35/565423835.db2.gz PGRNQLHDOIHPFI-UHFFFAOYSA-N 2 0 378.567 2.952 20 0 GFADRP Cc1cc(Br)c(CNC(=O)NCCN(C)CCC[NH+](C)C)s1 ZINC000666637425 565545690 /nfs/dbraw/zinc/54/56/90/565545690.db2.gz HCYCXTJSFNTMKU-UHFFFAOYSA-N 2 0 391.379 2.502 20 0 GFADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000645745637 565557601 /nfs/dbraw/zinc/55/76/01/565557601.db2.gz FHRGKEMSGRCKMH-HNNXBMFYSA-N 2 0 388.339 2.652 20 0 GFADRP C[C@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)N1CC[NH+](C)CC1 ZINC000647180168 565644313 /nfs/dbraw/zinc/64/43/13/565644313.db2.gz JTFQTSTWQWNJDN-GFCCVEGCSA-N 2 0 392.288 2.776 20 0 GFADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000629568006 565859150 /nfs/dbraw/zinc/85/91/50/565859150.db2.gz RIHOMJVVWHYLLE-OLZOCXBDSA-N 2 0 376.328 2.727 20 0 GFADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccccc1Cl ZINC000655914414 566095151 /nfs/dbraw/zinc/09/51/51/566095151.db2.gz YYGQBTHURSZYPS-ZIAGYGMSSA-N 2 0 380.842 2.912 20 0 GFADRP Brc1cccc2c1C[C@@H]1[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)[C@H]21 ZINC000635003218 566188629 /nfs/dbraw/zinc/18/86/29/566188629.db2.gz HCWWWVTWEVVBPI-NIWCSRKUSA-N 2 0 377.326 2.834 20 0 GFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000825870457 608502304 /nfs/dbraw/zinc/50/23/04/608502304.db2.gz NANJVLJCNDEVHJ-OAQYLSRUSA-N 2 0 392.507 2.974 20 0 GFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824983787 609330887 /nfs/dbraw/zinc/33/08/87/609330887.db2.gz CSOYRIGGIPIQSB-ZNMIVQPWSA-N 2 0 376.480 2.546 20 0 GFADRP O=C(CC[C@H]1CC1(Cl)Cl)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000824895410 660404436 /nfs/dbraw/zinc/40/44/36/660404436.db2.gz WMWGXDRBQCGZDV-HNNXBMFYSA-N 2 0 385.339 2.684 20 0 GFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000127974857 654839071 /nfs/dbraw/zinc/83/90/71/654839071.db2.gz KTRFCJIYFJXUCE-WMLDXEAASA-N 2 0 380.330 2.613 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000133619851 654968576 /nfs/dbraw/zinc/96/85/76/654968576.db2.gz VODAWBKSWNIRMF-UHFFFAOYSA-N 2 0 378.851 2.899 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178415185 655303150 /nfs/dbraw/zinc/30/31/50/655303150.db2.gz AEBUAHACQFPJPN-QGZVFWFLSA-N 2 0 382.346 2.890 20 0 GFADRP O[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000726070833 655531256 /nfs/dbraw/zinc/53/12/56/655531256.db2.gz PZGXIRBTXRSQFP-IBGZPJMESA-N 2 0 397.357 2.917 20 0 GFADRP C[NH+](C)CCNC(=S)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000743580743 655730096 /nfs/dbraw/zinc/73/00/96/655730096.db2.gz AAWXUZGIPPYLDO-UHFFFAOYSA-N 2 0 376.492 2.505 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(Br)o1 ZINC000750735580 655816747 /nfs/dbraw/zinc/81/67/47/655816747.db2.gz YXLYKOIWSDKMGE-HQPKTYMTSA-N 2 0 398.345 2.930 20 0 GFADRP C[NH+]1CCC(CNC(=S)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000760488050 655982565 /nfs/dbraw/zinc/98/25/65/655982565.db2.gz WQVVZJYGQFPORP-UHFFFAOYSA-N 2 0 384.659 2.544 20 0 GFADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)cc2)CC1 ZINC000775377422 656633592 /nfs/dbraw/zinc/63/35/92/656633592.db2.gz WYYSKUOSHPTOKS-AABGKKOBSA-N 2 0 377.623 2.903 20 0 GFADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)/C=C\c1ccccc1Cl ZINC000780849053 657032847 /nfs/dbraw/zinc/03/28/47/657032847.db2.gz JBJDSWLNTIJZJW-GDNBJRDFSA-N 2 0 385.961 2.598 20 0 GFADRP Cc1cc(Br)cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000816620983 660163099 /nfs/dbraw/zinc/16/30/99/660163099.db2.gz UIMXSQZBEDTXAB-UHFFFAOYSA-N 2 0 382.346 2.839 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872033922 662754389 /nfs/dbraw/zinc/75/43/89/662754389.db2.gz KGKXBGJHCVVCOW-AYBZRNKSSA-N 2 0 396.373 2.752 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872038190 662754454 /nfs/dbraw/zinc/75/44/54/662754454.db2.gz LFSNAEHEQLAODD-WBVHZDCISA-N 2 0 383.330 2.573 20 0 GFADRP CCOP(=O)(CCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)OCC ZINC000876697665 662864937 /nfs/dbraw/zinc/86/49/37/662864937.db2.gz WKGFWUZEHYSUNH-GOSISDBHSA-N 2 0 375.494 2.745 20 0 GFADRP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Br)c1 ZINC000876979316 662869129 /nfs/dbraw/zinc/86/91/29/662869129.db2.gz AZIWDTBFSZPMPS-RHSMWYFYSA-N 2 0 380.330 2.687 20 0 GFADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000892950238 663390975 /nfs/dbraw/zinc/39/09/75/663390975.db2.gz AUOFPRFGVCSFSN-QGZVFWFLSA-N 2 0 398.345 2.734 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)cnn1C ZINC000903936327 663812794 /nfs/dbraw/zinc/81/27/94/663812794.db2.gz ZGIYFZBQLGXCGE-YJQAKTFBSA-N 2 0 389.341 2.536 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903967076 663814020 /nfs/dbraw/zinc/81/40/20/663814020.db2.gz GMVBGYYNIAPTRM-CABCVRRESA-N 2 0 394.357 2.807 20 0 GFADRP Cn1nc(Br)cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904473369 663835474 /nfs/dbraw/zinc/83/54/74/663835474.db2.gz QEOIDCRQXFMJQT-RHSMWYFYSA-N 2 0 377.286 2.528 20 0 GFADRP C[C@H]([NH3+])C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923284516 664627440 /nfs/dbraw/zinc/62/74/40/664627440.db2.gz OMRFVMCJLYJVNU-FZMZJTMJSA-N 2 0 391.737 2.901 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)C1 ZINC000923389747 664629401 /nfs/dbraw/zinc/62/94/01/664629401.db2.gz WEPKYGMBWTXNPI-BGTYHANMSA-N 2 0 383.330 2.701 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(I)cc1)CC2 ZINC000923455401 664630885 /nfs/dbraw/zinc/63/08/85/664630885.db2.gz UBZFCAKBWUJMMN-HNNXBMFYSA-N 2 0 386.277 2.621 20 0 GFADRP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923456956 664630892 /nfs/dbraw/zinc/63/08/92/664630892.db2.gz SNFZKZOKDYQDJR-XJKSGUPXSA-N 2 0 396.329 2.606 20 0 GFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000925802063 664675033 /nfs/dbraw/zinc/67/50/33/664675033.db2.gz DASBSGXCLRBPBG-LALPHHSUSA-N 2 0 387.343 2.503 20 0 GFADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)c(Br)c1 ZINC000925850821 664675897 /nfs/dbraw/zinc/67/58/97/664675897.db2.gz BRMVYWLFELXJIJ-DGCLKSJQSA-N 2 0 385.277 2.924 20 0 GFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849676 664675938 /nfs/dbraw/zinc/67/59/38/664675938.db2.gz JSBBXRXEIHWRPI-BBRMVZONSA-N 2 0 381.314 2.655 20 0 GFADRP O[C@@H](CN1CCC([N@@H+]2CCCOCC2)CC1)c1ccc(Br)cc1 ZINC000931284008 664790537 /nfs/dbraw/zinc/79/05/37/664790537.db2.gz KVBNQKHFHARQEA-SFHVURJKSA-N 2 0 383.330 2.669 20 0 GFADRP CC(C)N(c1cccc(OCC[NH+]2CCCC2)n1)c1ncnc2c1CC[NH2+]CC2 ZINC001164659883 719344904 /nfs/dbraw/zinc/34/49/04/719344904.db2.gz FZDXNRHJQJGWJZ-UHFFFAOYSA-N 2 0 396.539 2.581 20 0 GFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCCC3)[nH+]c(C)n1)C2 ZINC001164805924 720077794 /nfs/dbraw/zinc/07/77/94/720077794.db2.gz AVEMAAPEVADFHS-UGKGYDQZSA-N 2 0 385.556 2.570 20 0 GFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164820210 720155578 /nfs/dbraw/zinc/15/55/78/720155578.db2.gz ZSYSUMONQMSZJF-IIBYNOLFSA-N 2 0 390.959 2.565 20 0 GFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C[NH+](C)C3CC3)cn1)C2 ZINC001164817515 720179639 /nfs/dbraw/zinc/17/96/39/720179639.db2.gz PQOQBJAGGSKSDO-OFNKIYASSA-N 2 0 384.568 2.861 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164751080 720833014 /nfs/dbraw/zinc/83/30/14/720833014.db2.gz YIWIQAJMVVTINC-WAOWUJCRSA-N 2 0 391.523 2.842 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CCC(=O)N4CC4CC4)CC3)c2)CC1 ZINC001164777237 721307281 /nfs/dbraw/zinc/30/72/81/721307281.db2.gz SBMXLYWJRQAUOG-UHFFFAOYSA-N 2 0 398.551 2.926 20 0 GFADRP Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164899560 721514625 /nfs/dbraw/zinc/51/46/25/721514625.db2.gz KVHBNNOMFQLBDH-UYAOXDASSA-N 2 0 397.498 2.866 20 0 GFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(Br)cc3)CC[C@@H]21 ZINC000162819403 551613212 /nfs/dbraw/zinc/61/32/12/551613212.db2.gz CHOBRQITMZYPQT-HFTRVMKXSA-N 2 0 383.330 2.605 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000178771383 552174841 /nfs/dbraw/zinc/17/48/41/552174841.db2.gz ZJKVWMCRPHGBDO-RHSMWYFYSA-N 2 0 382.346 2.888 20 0 GFADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ncc(Br)s2)CC1 ZINC000179203918 552186834 /nfs/dbraw/zinc/18/68/34/552186834.db2.gz VRBZFMMNFZCGPY-ZDUSSCGKSA-N 2 0 375.380 2.974 20 0 GFADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261779386 553159197 /nfs/dbraw/zinc/15/91/97/553159197.db2.gz PEOMBYGGPVUUSX-SFHVURJKSA-N 2 0 382.346 2.954 20 0 GFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261788979 553159206 /nfs/dbraw/zinc/15/92/06/553159206.db2.gz PYBLBOKPDCDZPJ-KDOFPFPSSA-N 2 0 382.346 2.860 20 0 GFADRP O=C(CC[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000262079822 553165297 /nfs/dbraw/zinc/16/52/97/553165297.db2.gz KPMFRONTHLQAEX-HNNXBMFYSA-N 2 0 386.323 2.659 20 0 GFADRP Cc1ccc(Br)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000370573703 563248475 /nfs/dbraw/zinc/24/84/75/563248475.db2.gz JKABPZPAKLOGGV-INIZCTEOSA-N 2 0 394.357 2.998 20 0 GFADRP Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422700644 563348546 /nfs/dbraw/zinc/34/85/46/563348546.db2.gz ANABCTZMIQJLIO-GDAAHCPNSA-N 2 0 394.357 2.775 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1Br ZINC000423154884 563356890 /nfs/dbraw/zinc/35/68/90/563356890.db2.gz KHIIKVSVDWOXDA-USXIJHARSA-N 2 0 385.346 2.858 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1Br ZINC000423161994 563357892 /nfs/dbraw/zinc/35/78/92/563357892.db2.gz ONMHRKCPVJMTKV-KMFMINBZSA-N 2 0 385.346 2.586 20 0 GFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000423481930 563360996 /nfs/dbraw/zinc/36/09/96/563360996.db2.gz XDEWBAKHQBGRCW-LNSITVRQSA-N 2 0 387.343 2.775 20 0 GFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423460418 563361189 /nfs/dbraw/zinc/36/11/89/563361189.db2.gz BCZOKARTASLRMP-AXFHLTTASA-N 2 0 380.341 2.809 20 0 GFADRP COc1cc2[nH+]ccc(N3CCC[N@@H+]([C@@H](C)CO)CC3)c2cc1Br ZINC000425250797 563414771 /nfs/dbraw/zinc/41/47/71/563414771.db2.gz DLRSVSNUKIAZCM-ZDUSSCGKSA-N 2 0 394.313 2.899 20 0 GFADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/c3csc(Br)c3)C2)CC1 ZINC000377793903 563487297 /nfs/dbraw/zinc/48/72/97/563487297.db2.gz IZWVYSUMZXPFKS-HSWBROFVSA-N 2 0 398.370 2.809 20 0 GFADRP OC1(C[NH2+]Cc2ccc(Br)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000397645530 563532413 /nfs/dbraw/zinc/53/24/13/563532413.db2.gz VAFFXRUJHUOAOC-UHFFFAOYSA-N 2 0 390.325 2.961 20 0 GFADRP O=C([C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1)N1CC[NH2+]CC1 ZINC000430637407 563546412 /nfs/dbraw/zinc/54/64/12/563546412.db2.gz BCCKLSFTGHOTGO-CQSZACIVSA-N 2 0 386.323 2.516 20 0 GFADRP CC(=O)Nc1ccc(Br)cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433160258 563604948 /nfs/dbraw/zinc/60/49/48/563604948.db2.gz UTLKXUSSXDOFJN-UHFFFAOYSA-N 2 0 397.317 2.549 20 0 GFADRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)CC1 ZINC000411460783 563620368 /nfs/dbraw/zinc/62/03/68/563620368.db2.gz SCTJHKXSXHDKFI-UHFFFAOYSA-N 2 0 380.330 2.628 20 0 GFADRP FC(F)Oc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000414985640 563756019 /nfs/dbraw/zinc/75/60/19/563756019.db2.gz NFWUMMPOLKCVBP-CYBMUJFWSA-N 2 0 387.780 2.867 20 0 GFADRP Ic1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000511038151 564355127 /nfs/dbraw/zinc/35/51/27/564355127.db2.gz NVKIZUVJSAMYHG-GJZGRUSLSA-N 2 0 386.277 2.886 20 0 GFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000567689232 564383616 /nfs/dbraw/zinc/38/36/16/564383616.db2.gz FVZWILMONWURKU-QGZVFWFLSA-N 2 0 385.346 2.900 20 0 GFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000514680573 564453263 /nfs/dbraw/zinc/45/32/63/564453263.db2.gz AZQVPAKERKFJAX-QGZVFWFLSA-N 2 0 380.374 2.922 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453339440 564454165 /nfs/dbraw/zinc/45/41/65/564454165.db2.gz BVIHKJRZIWXAAB-JKIFEVAISA-N 2 0 385.346 2.681 20 0 GFADRP Cc1cc(Br)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)s1 ZINC000453562461 564457651 /nfs/dbraw/zinc/45/76/51/564457651.db2.gz LBYLJCARSRHTQV-UHFFFAOYSA-N 2 0 388.375 2.709 20 0 GFADRP O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000517567456 564536697 /nfs/dbraw/zinc/53/66/97/564536697.db2.gz PHCDRZQMRHNLMA-KRWDZBQOSA-N 2 0 385.339 2.692 20 0 GFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000572393431 564592985 /nfs/dbraw/zinc/59/29/85/564592985.db2.gz JTDCDEVTUIWHSX-XJKSGUPXSA-N 2 0 389.309 2.649 20 0 GFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000572665063 564604659 /nfs/dbraw/zinc/60/46/59/564604659.db2.gz DBYBLNGZGGBTKD-KRWDZBQOSA-N 2 0 380.374 2.924 20 0 GFADRP CN(CCC[N@H+](C)Cc1nc2cc(Br)ccc2o1)CC[NH+](C)C ZINC000554744241 564772621 /nfs/dbraw/zinc/77/26/21/564772621.db2.gz WOPZPGLXTNLRSS-UHFFFAOYSA-N 2 0 383.334 2.906 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000529390267 564833042 /nfs/dbraw/zinc/83/30/42/564833042.db2.gz YEKFVJKPBXAPHO-WMZOPIPTSA-N 2 0 385.339 2.991 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000529386359 564833391 /nfs/dbraw/zinc/83/33/91/564833391.db2.gz MXXRSVRUSIXMCP-COXVUDFISA-N 2 0 385.339 2.990 20 0 GFADRP Cc1[nH+]c2ccc(Br)cc2c(NC[C@@H]2C[N@@H+](C)CCN2C)c1C ZINC000462839163 564859658 /nfs/dbraw/zinc/85/96/58/564859658.db2.gz UJOPWHNCJDWKOG-OAHLLOKOSA-N 2 0 377.330 2.694 20 0 GFADRP C[NH+]1CCC(CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000584286637 564928796 /nfs/dbraw/zinc/92/87/96/564928796.db2.gz ASJUNKNPIUOJRH-UHFFFAOYSA-N 2 0 389.359 2.544 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c(N)c1Cl ZINC000469662001 565023926 /nfs/dbraw/zinc/02/39/26/565023926.db2.gz LAAUAYQSAWNLHB-UHFFFAOYSA-N 2 0 375.344 2.921 20 0 GFADRP CCn1cc(Br)cc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000588641436 565135556 /nfs/dbraw/zinc/13/55/56/565135556.db2.gz MHXPQWJRBGJCLI-UHFFFAOYSA-N 2 0 392.301 2.670 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000638425689 565197150 /nfs/dbraw/zinc/19/71/50/565197150.db2.gz HBKZVJUTZSLIPO-CQSZACIVSA-N 2 0 391.339 2.558 20 0 GFADRP C[NH+](C)Cc1cc(C[NH2+]Cc2cnn3cc(Br)cnc23)ccc1F ZINC000638634806 565206030 /nfs/dbraw/zinc/20/60/30/565206030.db2.gz OYFLDIZDMXRCGL-UHFFFAOYSA-N 2 0 392.276 2.982 20 0 GFADRP NC(=O)[C@H](c1ccc(Br)cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639706220 565255423 /nfs/dbraw/zinc/25/54/23/565255423.db2.gz WVKZPOJMKWIJDQ-KRWDZBQOSA-N 2 0 389.297 2.583 20 0 GFADRP CN1CCO[C@@H](CSC[C@H](CSC[C@@H]2CN(C)CCO2)C(C)(C)C)C1 ZINC000592359289 565270869 /nfs/dbraw/zinc/27/08/69/565270869.db2.gz RRWRNSJZJRUHCF-NNZMDNLPSA-N 2 0 390.659 2.776 20 0 GFADRP C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)NC/C=C\C[NH3+])CC1 ZINC000641862314 565401161 /nfs/dbraw/zinc/40/11/61/565401161.db2.gz MDMOWQLZPMQFIJ-PLNGDYQASA-N 2 0 395.345 2.570 20 0 GFADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466025 565423293 /nfs/dbraw/zinc/42/32/93/565423293.db2.gz NDBNINFGEIDZME-ZBFHGGJFSA-N 2 0 382.346 2.711 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2OC)CC1 ZINC000663503488 565424264 /nfs/dbraw/zinc/42/42/64/565424264.db2.gz JOFHVZUORVWTBH-UHFFFAOYSA-N 2 0 398.345 2.538 20 0 GFADRP Cc1c(Br)ccc(NC(=O)NCCN(C)CCC[NH+](C)C)c1F ZINC000666938135 565563255 /nfs/dbraw/zinc/56/32/55/565563255.db2.gz ONVWLXJVXSTSQO-UHFFFAOYSA-N 2 0 389.313 2.902 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ncc(Br)cc1F ZINC000628277454 565782071 /nfs/dbraw/zinc/78/20/71/565782071.db2.gz SRXLKMOVKSKPJE-UHFFFAOYSA-N 2 0 375.330 2.689 20 0 GFADRP COc1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(F)cc1Br ZINC000631039777 565934658 /nfs/dbraw/zinc/93/46/58/565934658.db2.gz ZEYLXHRFSJYTQE-UHFFFAOYSA-N 2 0 388.325 2.712 20 0 GFADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1-c1nn[nH]n1 ZINC000821808614 599422489 /nfs/dbraw/zinc/42/24/89/599422489.db2.gz JLMPWYUXHPUTJN-UHFFFAOYSA-N 2 0 398.536 2.939 20 0 GFADRP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826182360 607750423 /nfs/dbraw/zinc/75/04/23/607750423.db2.gz HVXAINJGWYPNDT-UHFFFAOYSA-N 2 0 384.528 2.963 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000817896733 660211661 /nfs/dbraw/zinc/21/16/61/660211661.db2.gz QQENIVYVHVLCJS-MLGOLLRUSA-N 2 0 389.323 2.938 20 0 GFADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000819083593 660245813 /nfs/dbraw/zinc/24/58/13/660245813.db2.gz BRKYWWWJVAQOBL-KSSFIOAISA-N 2 0 383.330 2.573 20 0 GFADRP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000823755127 660379396 /nfs/dbraw/zinc/37/93/96/660379396.db2.gz BZCHOPBICOPSKD-UHFFFAOYSA-N 2 0 379.452 2.699 20 0 GFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2nc(Br)cs2)CC1 ZINC000834566513 660825045 /nfs/dbraw/zinc/82/50/45/660825045.db2.gz OAGPPLYSOXKFPY-QWHCGFSZSA-N 2 0 375.380 2.830 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000834898756 660837320 /nfs/dbraw/zinc/83/73/20/660837320.db2.gz GKCKZNRPIRKARK-XYTVBORESA-N 2 0 397.357 2.824 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000123972528 654767617 /nfs/dbraw/zinc/76/76/17/654767617.db2.gz RQWKKPCXLBKPNR-QGZVFWFLSA-N 2 0 382.346 2.890 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000060348622 654828054 /nfs/dbraw/zinc/82/80/54/654828054.db2.gz VDQJFLSPXQWFDB-CQSZACIVSA-N 2 0 391.940 2.516 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CC1(Cl)Cl ZINC000838673325 661053390 /nfs/dbraw/zinc/05/33/90/661053390.db2.gz XETDSAIAZBARJO-ZBFHGGJFSA-N 2 0 379.376 2.628 20 0 GFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000274031775 655169765 /nfs/dbraw/zinc/16/97/65/655169765.db2.gz BFBJHXGGSZOYEX-UHFFFAOYSA-N 2 0 383.330 2.709 20 0 GFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000751997982 655838216 /nfs/dbraw/zinc/83/82/16/655838216.db2.gz KFXXJIYDOOANIT-QAPCUYQASA-N 2 0 385.346 2.915 20 0 GFADRP C[NH+]1CCC(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CC1 ZINC000788488252 657728200 /nfs/dbraw/zinc/72/82/00/657728200.db2.gz OBYSWYJYRZQJDG-UHFFFAOYSA-N 2 0 395.345 2.836 20 0 GFADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Br)cc1F ZINC000843363843 661378557 /nfs/dbraw/zinc/37/85/57/661378557.db2.gz DSFKFLRDUAFAEG-UHFFFAOYSA-N 2 0 384.293 2.992 20 0 GFADRP C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000878644510 662901494 /nfs/dbraw/zinc/90/14/94/662901494.db2.gz XHEVKCUKLVKDHB-GOSISDBHSA-N 2 0 394.357 2.873 20 0 GFADRP [NH3+][C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000884328499 663069172 /nfs/dbraw/zinc/06/91/72/663069172.db2.gz RHXMCUNAPSMKQE-JLSDUUJJSA-N 2 0 392.341 2.924 20 0 GFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000894451166 663462415 /nfs/dbraw/zinc/46/24/15/663462415.db2.gz DHICWUUHMSLRIP-FUHWJXTLSA-N 2 0 388.394 2.720 20 0 GFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2C[C@]2(C)Br)CC1 ZINC000894451168 663462486 /nfs/dbraw/zinc/46/24/86/663462486.db2.gz DHICWUUHMSLRIP-WMZOPIPTSA-N 2 0 388.394 2.720 20 0 GFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000903435754 663784714 /nfs/dbraw/zinc/78/47/14/663784714.db2.gz YOUOOHLCGCXPGL-HIFRSBDPSA-N 2 0 380.330 2.955 20 0 GFADRP O=C(CC[N@@H+]1CC[NH2+]CCC12CCOCC2)Nc1ccc(Br)cc1 ZINC000903814637 663807588 /nfs/dbraw/zinc/80/75/88/663807588.db2.gz FUZKZKRWZRTKKN-UHFFFAOYSA-N 2 0 396.329 2.622 20 0 GFADRP Brc1ccccc1C1(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903923167 663812067 /nfs/dbraw/zinc/81/20/67/663812067.db2.gz NDPBBADXUQDFTH-AWEZNQCLSA-N 2 0 390.329 2.787 20 0 GFADRP O=C(Nc1cccc(Br)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905295713 663864489 /nfs/dbraw/zinc/86/44/89/663864489.db2.gz WYOBWNZTOBWROB-CALCHBBNSA-N 2 0 393.329 2.882 20 0 GFADRP Brc1c[nH]c(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000921561142 664553381 /nfs/dbraw/zinc/55/33/81/664553381.db2.gz URUUWZHAPUFNQP-UHFFFAOYSA-N 2 0 392.345 2.864 20 0 GFADRP [NH3+]CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923282096 664627308 /nfs/dbraw/zinc/62/73/08/664627308.db2.gz QBTGBWOXKAWRRF-ZDUSSCGKSA-N 2 0 377.710 2.513 20 0 GFADRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000923289628 664627585 /nfs/dbraw/zinc/62/75/85/664627585.db2.gz RFOZCLJGTJFJJG-MPKXVKKWSA-N 2 0 377.710 2.511 20 0 GFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924672135 664659351 /nfs/dbraw/zinc/65/93/51/664659351.db2.gz SJJCUUCJOJPYEJ-RHSMWYFYSA-N 2 0 381.362 2.837 20 0 GFADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1Br ZINC000925850828 664675874 /nfs/dbraw/zinc/67/58/74/664675874.db2.gz BVRJMBVWRNXJIF-DGCLKSJQSA-N 2 0 385.277 2.924 20 0 GFADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1F ZINC000925853743 664676041 /nfs/dbraw/zinc/67/60/41/664676041.db2.gz QXYMFMSLWBBDBO-DGCLKSJQSA-N 2 0 385.277 2.924 20 0 GFADRP C[NH+]1CCN(c2cccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164629944 719086959 /nfs/dbraw/zinc/08/69/59/719086959.db2.gz ULTXLFMMDSFHAK-YADHBBJMSA-N 2 0 391.563 2.934 20 0 GFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164820207 720155239 /nfs/dbraw/zinc/15/52/39/720155239.db2.gz ZSYSUMONQMSZJF-IERDGZPVSA-N 2 0 390.959 2.565 20 0 GFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C[NH+](C)C3CC3)cn1)C2 ZINC001164817513 720178852 /nfs/dbraw/zinc/17/88/52/720178852.db2.gz PQOQBJAGGSKSDO-NZQKXSOJSA-N 2 0 384.568 2.861 20 0 GFADRP c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001164726341 720421372 /nfs/dbraw/zinc/42/13/72/720421372.db2.gz BNKMXEGDBXZXRE-NHCUHLMSSA-N 2 0 393.535 2.804 20 0 GFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CC[NH2+]C4)C[C@H]21 ZINC001165019651 721803568 /nfs/dbraw/zinc/80/35/68/721803568.db2.gz DKUWNWJFFNJYGF-SYYKKAFVSA-N 2 0 377.536 2.859 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164980454 722124541 /nfs/dbraw/zinc/12/45/41/722124541.db2.gz RFBIYJFBUUSJHX-GHTZIAJQSA-N 2 0 377.492 2.994 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000106485444 551200153 /nfs/dbraw/zinc/20/01/53/551200153.db2.gz OEMGDEJIBOVFFO-GFCCVEGCSA-N 2 0 392.288 2.776 20 0 GFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccccc1Br ZINC000168962023 551634971 /nfs/dbraw/zinc/63/49/71/551634971.db2.gz ZXWVWZMSFMRLDA-LJQANCHMSA-N 2 0 398.389 2.880 20 0 GFADRP C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171823143 551664391 /nfs/dbraw/zinc/66/43/91/551664391.db2.gz XFZMTUKRRFZWJZ-AWEZNQCLSA-N 2 0 382.346 2.900 20 0 GFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ncc(Br)s1 ZINC000179225466 552187878 /nfs/dbraw/zinc/18/78/78/552187878.db2.gz KMMKHEHALMYBMI-GFCCVEGCSA-N 2 0 375.380 2.830 20 0 GFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000191604049 552532837 /nfs/dbraw/zinc/53/28/37/552532837.db2.gz FDJKTEJOHXYRRX-IBGZPJMESA-N 2 0 398.389 2.830 20 0 GFADRP C[N@H+](CC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCSC1 ZINC000245608938 553093659 /nfs/dbraw/zinc/09/36/59/553093659.db2.gz KTSNLSFBSDMMNA-SFHVURJKSA-N 2 0 381.973 2.812 20 0 GFADRP C[C@]([NH3+])(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Br)cc1 ZINC000261761055 553158515 /nfs/dbraw/zinc/15/85/15/553158515.db2.gz NMFUMXDIGGIBTB-MAUKXSAKSA-N 2 0 380.330 2.756 20 0 GFADRP C[C@H]([NH2+]CCC(C)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000297241221 563320841 /nfs/dbraw/zinc/32/08/41/563320841.db2.gz INGKHTGLQVQETO-AWEZNQCLSA-N 2 0 377.501 2.613 20 0 GFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422780336 563349907 /nfs/dbraw/zinc/34/99/07/563349907.db2.gz CYCMEEAJPYBCLU-DLBZAZTESA-N 2 0 385.599 2.715 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422871440 563350120 /nfs/dbraw/zinc/35/01/20/563350120.db2.gz CVWVZETVISOPPF-STQMWFEESA-N 2 0 380.842 2.676 20 0 GFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000422903328 563350565 /nfs/dbraw/zinc/35/05/65/563350565.db2.gz FKTABZONPIYRQM-YOEHRIQHSA-N 2 0 382.346 2.775 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(Br)ccc2OC)CC[NH2+]CC1 ZINC000422951167 563351231 /nfs/dbraw/zinc/35/12/31/563351231.db2.gz ZREBNKUFVREVKB-ZDUSSCGKSA-N 2 0 399.329 2.869 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCNc2cccc(Br)c2)CC[NH2+]CC1 ZINC000422965092 563352572 /nfs/dbraw/zinc/35/25/72/563352572.db2.gz NQETUZUQSYGTTJ-CQSZACIVSA-N 2 0 398.345 2.772 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423094714 563354708 /nfs/dbraw/zinc/35/47/08/563354708.db2.gz KPDMETVFBQHAGK-BXUZGUMPSA-N 2 0 399.251 2.845 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424386353 563377511 /nfs/dbraw/zinc/37/75/11/563377511.db2.gz XJGBVVSKGGXAEI-QCZZGDTMSA-N 2 0 394.684 2.787 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000282101008 563397660 /nfs/dbraw/zinc/39/76/60/563397660.db2.gz SNTOZUIBYBXWPZ-UHFFFAOYSA-N 2 0 376.289 2.845 20 0 GFADRP COCC[NH+]1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)CC1 ZINC000425208322 563411270 /nfs/dbraw/zinc/41/12/70/563411270.db2.gz MUIHKEBHHQLMSL-UHFFFAOYSA-N 2 0 380.286 2.774 20 0 GFADRP COc1cc2[nH+]ccc(N3CCC[N@H+](CCO)CC3)c2cc1Br ZINC000425228083 563413377 /nfs/dbraw/zinc/41/33/77/563413377.db2.gz PMCGRDHXISDMQA-UHFFFAOYSA-N 2 0 380.286 2.510 20 0 GFADRP CC[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2ccc(Br)cc2)CC1 ZINC000411333372 563615375 /nfs/dbraw/zinc/61/53/75/563615375.db2.gz AIYJYHZELKSAQV-UHFFFAOYSA-N 2 0 382.346 2.874 20 0 GFADRP COCC[N@H+](C)CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000363061138 563713284 /nfs/dbraw/zinc/71/32/84/563713284.db2.gz IJPKHHICMCTAKT-UHFFFAOYSA-N 2 0 387.977 2.698 20 0 GFADRP C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000439444010 563725594 /nfs/dbraw/zinc/72/55/94/563725594.db2.gz BGSHVEAVEUXADS-BBRMVZONSA-N 2 0 389.309 2.602 20 0 GFADRP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)sc2Cl)(N2CCOCC2)CC1 ZINC000414481913 563744242 /nfs/dbraw/zinc/74/42/42/563744242.db2.gz LEMPTFUPAGVHTD-UHFFFAOYSA-N 2 0 378.369 2.941 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000414676044 563750156 /nfs/dbraw/zinc/75/01/56/563750156.db2.gz HCZFKPBIFZINBX-IFXJQAMLSA-N 2 0 375.563 2.954 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414693814 563750173 /nfs/dbraw/zinc/75/01/73/563750173.db2.gz NCBYLDGHCRYWLL-SUMWQHHRSA-N 2 0 386.323 2.564 20 0 GFADRP CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414759386 563752908 /nfs/dbraw/zinc/75/29/08/563752908.db2.gz ODXTYNGIDJTODI-GOEBONIOSA-N 2 0 394.357 2.783 20 0 GFADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292232178 563779512 /nfs/dbraw/zinc/77/95/12/563779512.db2.gz VXRJWMBTBKMAAC-KXBFYZLASA-N 2 0 394.357 2.824 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1sccc1Br ZINC000448968764 563904045 /nfs/dbraw/zinc/90/40/45/563904045.db2.gz HLYPBBMTFMECCW-UHFFFAOYSA-N 2 0 390.391 2.785 20 0 GFADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1cc(Br)ccc1F ZINC000449600970 564192096 /nfs/dbraw/zinc/19/20/96/564192096.db2.gz QAUGCQZSGCBGEL-JQFCIGGWSA-N 2 0 385.321 2.956 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000449680710 564195766 /nfs/dbraw/zinc/19/57/66/564195766.db2.gz KMZYWNODBHKQHV-MPGHIAIKSA-N 2 0 399.373 2.929 20 0 GFADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683854 564196063 /nfs/dbraw/zinc/19/60/63/564196063.db2.gz OCSNFWJKCYRKCQ-JYJNAYRXSA-N 2 0 385.321 2.956 20 0 GFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1I ZINC000480166588 564462236 /nfs/dbraw/zinc/46/22/36/564462236.db2.gz KFMQRPGTBJTVAP-AWEZNQCLSA-N 2 0 387.309 2.579 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)c(F)cc1Br ZINC000569543761 564468043 /nfs/dbraw/zinc/46/80/43/564468043.db2.gz ZPUBZZJYAYVACX-UHFFFAOYSA-N 2 0 394.716 2.807 20 0 GFADRP CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000517554232 564536325 /nfs/dbraw/zinc/53/63/25/564536325.db2.gz VVPCELTVIAGEOT-USXIJHARSA-N 2 0 385.961 2.677 20 0 GFADRP Cc1cc(Br)cn2cc(CNC(=O)N(C)C[C@H]3CCC[N@@H+]3C)nc12 ZINC000571156120 564537911 /nfs/dbraw/zinc/53/79/11/564537911.db2.gz YIRWLPBCLVNJFE-OAHLLOKOSA-N 2 0 394.317 2.641 20 0 GFADRP C[C@H](CC[NH+](C)C)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000519450738 564577801 /nfs/dbraw/zinc/57/78/01/564577801.db2.gz JEBRMZRUNGMBQU-OAHLLOKOSA-N 2 0 399.377 2.863 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000552089560 564676217 /nfs/dbraw/zinc/67/62/17/564676217.db2.gz NMUSBVCVLYBRCN-OCCSQVGLSA-N 2 0 394.368 2.592 20 0 GFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@H]2CCC[C@H]21 ZINC000552275875 564684181 /nfs/dbraw/zinc/68/41/81/564684181.db2.gz CQLLNIGEPABDRU-HDEZJCGLSA-N 2 0 383.330 2.651 20 0 GFADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527636368 564752012 /nfs/dbraw/zinc/75/20/12/564752012.db2.gz NLIYNUPPWPHLEK-UHFFFAOYSA-N 2 0 376.289 2.843 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000530656312 564889834 /nfs/dbraw/zinc/88/98/34/564889834.db2.gz HHPDMOUVAJHDML-SJLPKXTDSA-N 2 0 384.977 2.679 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000530656309 564889867 /nfs/dbraw/zinc/88/98/67/564889867.db2.gz HHPDMOUVAJHDML-AEFFLSMTSA-N 2 0 384.977 2.679 20 0 GFADRP Cc1c(Br)cncc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000657420253 565099312 /nfs/dbraw/zinc/09/93/12/565099312.db2.gz BZHVBVBVNJCHTE-UHFFFAOYSA-N 2 0 379.302 2.778 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000638831455 565213942 /nfs/dbraw/zinc/21/39/42/565213942.db2.gz LQCCYIHFRBKJOQ-CABCVRRESA-N 2 0 375.460 2.519 20 0 GFADRP Fc1ccc(I)c(F)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591281812 565221160 /nfs/dbraw/zinc/22/11/60/565221160.db2.gz LLJNZLIKWCGFPN-GFCCVEGCSA-N 2 0 378.204 2.801 20 0 GFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000639056216 565222715 /nfs/dbraw/zinc/22/27/15/565222715.db2.gz BBCLMSNDDHBBLH-ZDUSSCGKSA-N 2 0 381.318 2.706 20 0 GFADRP CCCn1ccnc1CCC[N@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639177621 565230245 /nfs/dbraw/zinc/23/02/45/565230245.db2.gz WKNQEXCNSFUHBL-UHFFFAOYSA-N 2 0 384.933 2.659 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000639360505 565242266 /nfs/dbraw/zinc/24/22/66/565242266.db2.gz MDHRBQHJFROFMD-BPQIPLTHSA-N 2 0 379.342 2.912 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000663506468 565423808 /nfs/dbraw/zinc/42/38/08/565423808.db2.gz RPHBTDAIAJWBNI-OAHLLOKOSA-N 2 0 396.373 2.960 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789788 565675956 /nfs/dbraw/zinc/67/59/56/565675956.db2.gz LKPDWBIWSFILCP-DJIMGWMZSA-N 2 0 394.357 2.775 20 0 GFADRP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C(F)(F)F ZINC000647795179 565677286 /nfs/dbraw/zinc/67/72/86/565677286.db2.gz JLPCNJAJFZUDAL-BFHYXJOUSA-N 2 0 376.444 2.587 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccsc1 ZINC000626934173 565715868 /nfs/dbraw/zinc/71/58/68/565715868.db2.gz CFFIMRQZRGKOCY-MGPQQGTHSA-N 2 0 378.464 2.520 20 0 GFADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628969809 565816974 /nfs/dbraw/zinc/81/69/74/565816974.db2.gz ZHDYTBHFLDJAGQ-DYVFJYSZSA-N 2 0 388.339 2.681 20 0 GFADRP C[NH2+]Cc1ccccc1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000653214541 565959415 /nfs/dbraw/zinc/95/94/15/565959415.db2.gz ZPOSIJYEHPNMHK-GOSISDBHSA-N 2 0 376.298 2.659 20 0 GFADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)CC1 ZINC000824954866 607753534 /nfs/dbraw/zinc/75/35/34/607753534.db2.gz LMWPQIPXYPLJMV-UHFFFAOYSA-N 2 0 394.527 2.647 20 0 GFADRP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826168720 608374405 /nfs/dbraw/zinc/37/44/05/608374405.db2.gz WCUSDWGOZFJYRB-UHFFFAOYSA-N 2 0 384.528 2.963 20 0 GFADRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)c3ccccc3Br)CC2)CC1 ZINC000818988121 660241896 /nfs/dbraw/zinc/24/18/96/660241896.db2.gz KVLQEFCSJAMUOH-IBGZPJMESA-N 2 0 396.373 2.631 20 0 GFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269054707 654996288 /nfs/dbraw/zinc/99/62/88/654996288.db2.gz IXAHQNAOIJNYNX-UKRRQHHQSA-N 2 0 378.485 2.690 20 0 GFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000102422379 655055171 /nfs/dbraw/zinc/05/51/71/655055171.db2.gz XRKCXZJXJSGACA-HNNXBMFYSA-N 2 0 394.357 2.841 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1Br ZINC000119888927 655319895 /nfs/dbraw/zinc/31/98/95/655319895.db2.gz ANPHNKUBSJMZMY-UHFFFAOYSA-N 2 0 375.286 2.545 20 0 GFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261943980 655443243 /nfs/dbraw/zinc/44/32/43/655443243.db2.gz NDLAXZDPYJFIIH-OAHLLOKOSA-N 2 0 382.346 2.847 20 0 GFADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261973881 655443374 /nfs/dbraw/zinc/44/33/74/655443374.db2.gz NHGGRNACFORUEI-KPZWWZAWSA-N 2 0 376.298 2.959 20 0 GFADRP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000579834966 655504565 /nfs/dbraw/zinc/50/45/65/655504565.db2.gz MYSXTGFXVUWQBB-HDMKZQKVSA-N 2 0 392.341 2.876 20 0 GFADRP O[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000751970247 655836886 /nfs/dbraw/zinc/83/68/86/655836886.db2.gz YCQZPHANWQEQHV-IBGZPJMESA-N 2 0 397.357 2.917 20 0 GFADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000870994150 662712365 /nfs/dbraw/zinc/71/23/65/662712365.db2.gz NWKDONDUQDSTAQ-ZWKOTPCHSA-N 2 0 382.346 2.847 20 0 GFADRP COc1cc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)ccc1S(=O)(=O)C(F)F ZINC000873268707 662804762 /nfs/dbraw/zinc/80/47/62/662804762.db2.gz YZHVUCOSXJQUBL-VXGBXAGGSA-N 2 0 376.469 2.730 20 0 GFADRP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000873274409 662804826 /nfs/dbraw/zinc/80/48/26/662804826.db2.gz DDHLHDOMUNVUFI-BVPSZOQCSA-N 2 0 377.326 2.834 20 0 GFADRP C[NH+](C)C[C@@H]1CN(Cc2nc(Cl)ccc2Br)C[C@H]1C[NH+](C)C ZINC000877671402 662881369 /nfs/dbraw/zinc/88/13/69/662881369.db2.gz XGWMCDWYHOOODR-CHWSQXEVSA-N 2 0 389.769 2.669 20 0 GFADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ncc(Br)cc2O)cc1 ZINC000892611643 663378524 /nfs/dbraw/zinc/37/85/24/663378524.db2.gz YKHDOPHFXWTTEM-UHFFFAOYSA-N 2 0 380.286 2.780 20 0 GFADRP C[N@H+](CCc1ccc(Br)cc1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903891047 663810376 /nfs/dbraw/zinc/81/03/76/663810376.db2.gz IQYRXJZRDVLADG-INIZCTEOSA-N 2 0 378.318 2.640 20 0 GFADRP Brc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903924725 663811947 /nfs/dbraw/zinc/81/19/47/663811947.db2.gz IEHHBPORWAKKQX-RHSMWYFYSA-N 2 0 376.302 2.742 20 0 GFADRP CCCC[C@H](C[NH3+])NC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000911879726 664260475 /nfs/dbraw/zinc/26/04/75/664260475.db2.gz HVTUTUFRNYNJOU-MRXNPFEDSA-N 2 0 382.346 2.704 20 0 GFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923300263 664627880 /nfs/dbraw/zinc/62/78/80/664627880.db2.gz PHXTWBXWJXLYLV-SWLSCSKDSA-N 2 0 379.726 2.805 20 0 GFADRP O[C@@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000923410346 664630017 /nfs/dbraw/zinc/63/00/17/664630017.db2.gz NFNNLQCMIZIDKP-MSOLQXFVSA-N 2 0 383.330 2.573 20 0 GFADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1(Br)CC1 ZINC000925440075 664672281 /nfs/dbraw/zinc/67/22/81/664672281.db2.gz YWPAZPAGUZFRIU-HNNXBMFYSA-N 2 0 394.357 2.918 20 0 GFADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850307 664675893 /nfs/dbraw/zinc/67/58/93/664675893.db2.gz IJVSAYHAUNTMTI-JSGCOSHPSA-N 2 0 399.304 2.794 20 0 GFADRP Nc1cc[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754867 720868800 /nfs/dbraw/zinc/86/88/00/720868800.db2.gz UFFUGCXGFFAYMY-NZQKXSOJSA-N 2 0 393.535 2.814 20 0 GFADRP c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[N@@H+]3C2)c1 ZINC001164870996 721137889 /nfs/dbraw/zinc/13/78/89/721137889.db2.gz CVYPUTMJCOAHRT-FCHUYYIVSA-N 2 0 393.535 2.552 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164887732 721417337 /nfs/dbraw/zinc/41/73/37/721417337.db2.gz MUKLLAXXUNJTBB-IRLDBZIGSA-N 2 0 388.556 2.634 20 0 GFADRP Cn1ccc2c1cc[nH+]c2N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164804382 721541146 /nfs/dbraw/zinc/54/11/46/721541146.db2.gz JPDUGBLUHGEAMZ-PWRODBHTSA-N 2 0 377.492 2.837 20 0 GFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CC[NH2+]C4)C[C@@H]21 ZINC001165019649 721803446 /nfs/dbraw/zinc/80/34/46/721803446.db2.gz DKUWNWJFFNJYGF-KAGYGMCKSA-N 2 0 377.536 2.859 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4C[C@@H](C(=O)NC5CCC5)C[C@@H]4C3)c2)CC1 ZINC001164970030 722085930 /nfs/dbraw/zinc/08/59/30/722085930.db2.gz BUPIMUMFJDTPLF-BCDXTJNWSA-N 2 0 398.551 2.686 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000156402709 551522120 /nfs/dbraw/zinc/52/21/20/551522120.db2.gz RHEHLBNFDWTYJO-CKEIUWERSA-N 2 0 382.346 2.887 20 0 GFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000185890536 552373177 /nfs/dbraw/zinc/37/31/77/552373177.db2.gz LABSFGVOJPKAPF-UHFFFAOYSA-N 2 0 398.345 2.684 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000261739186 553157413 /nfs/dbraw/zinc/15/74/13/553157413.db2.gz LQWZTWMUKJLAKJ-KXBFYZLASA-N 2 0 394.357 2.957 20 0 GFADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261761709 553158661 /nfs/dbraw/zinc/15/86/61/553158661.db2.gz JTQUTVIRKPFEKW-DNVCBOLYSA-N 2 0 394.357 2.813 20 0 GFADRP C[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1cccc(Br)c1 ZINC000262034355 553164809 /nfs/dbraw/zinc/16/48/09/553164809.db2.gz OJFRIODNRLYNDG-WMLDXEAASA-N 2 0 382.346 2.872 20 0 GFADRP [NH3+]CCc1nc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000262391709 553170213 /nfs/dbraw/zinc/17/02/13/553170213.db2.gz PQRWVFAZDKOFKE-UHFFFAOYSA-N 2 0 378.929 2.692 20 0 GFADRP C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C(C)(C)C[NH+](C)C ZINC000567689088 564383689 /nfs/dbraw/zinc/38/36/89/564383689.db2.gz CBQCGTGQEADLLL-DOMZBBRYSA-N 2 0 391.325 2.894 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000280879812 563359292 /nfs/dbraw/zinc/35/92/92/563359292.db2.gz NDONZNIRVKPXPU-UHFFFAOYSA-N 2 0 397.235 2.894 20 0 GFADRP COc1sc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000282541090 563415159 /nfs/dbraw/zinc/41/51/59/563415159.db2.gz ZSAJUZMLYIOREE-UHFFFAOYSA-N 2 0 376.364 2.635 20 0 GFADRP Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420445970 563263661 /nfs/dbraw/zinc/26/36/61/563263661.db2.gz AZPLANUGZLUFTM-UHFFFAOYSA-N 2 0 375.947 2.551 20 0 GFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772165 563349301 /nfs/dbraw/zinc/34/93/01/563349301.db2.gz YYYNBSMWNDMVDB-NWDGAFQWSA-N 2 0 377.348 2.717 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422789668 563350143 /nfs/dbraw/zinc/35/01/43/563350143.db2.gz BKVHAJXOMVAFRG-BNEJOLLZSA-N 2 0 383.330 2.963 20 0 GFADRP FC(F)(F)[C@H](C[NH2+][C@H]1CCc2ccc(Br)cc21)N1CC[NH2+]CC1 ZINC000423403294 563360176 /nfs/dbraw/zinc/36/01/76/563360176.db2.gz XIIDDSVSHPDGKN-GJZGRUSLSA-N 2 0 392.263 2.862 20 0 GFADRP COC(=O)c1ccc(C[NH2+][C@@H]2CCc3nc(C)cn3C2)c(Br)c1 ZINC000375312143 563399253 /nfs/dbraw/zinc/39/92/53/563399253.db2.gz YWQSOOZPBTYWQP-CQSZACIVSA-N 2 0 378.270 2.845 20 0 GFADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425101290 563405302 /nfs/dbraw/zinc/40/53/02/563405302.db2.gz ZLLCGDOKYBAPFP-DZGCQCFKSA-N 2 0 397.361 2.583 20 0 GFADRP Ic1cccc(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427099639 563459978 /nfs/dbraw/zinc/45/99/78/563459978.db2.gz IJNOOZGUVCDMHW-XJKSGUPXSA-N 2 0 386.277 2.744 20 0 GFADRP C[C@H](C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739678 563751431 /nfs/dbraw/zinc/75/14/31/563751431.db2.gz JDDWAUFMPMFTNV-ZIAGYGMSSA-N 2 0 388.339 2.890 20 0 GFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC[NH2+]1 ZINC000414743355 563752044 /nfs/dbraw/zinc/75/20/44/563752044.db2.gz IQSJTOUBJJXBKJ-RBSFLKMASA-N 2 0 395.345 2.883 20 0 GFADRP CCCC[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000364462925 563754004 /nfs/dbraw/zinc/75/40/04/563754004.db2.gz YARDRKSXHRTRFB-UHFFFAOYSA-N 2 0 385.599 2.755 20 0 GFADRP COCC1(C[NH2+]Cc2cc(OC)c(OC)cc2Br)CC[NH2+]CC1 ZINC000414950302 563755173 /nfs/dbraw/zinc/75/51/73/563755173.db2.gz FBOIGCVGVVIYTP-UHFFFAOYSA-N 2 0 387.318 2.572 20 0 GFADRP COc1c(Br)cccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415046673 563757309 /nfs/dbraw/zinc/75/73/09/563757309.db2.gz DBUSYFMRKPAYTK-UHFFFAOYSA-N 2 0 382.346 2.764 20 0 GFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(I)cc1 ZINC000449227302 563908259 /nfs/dbraw/zinc/90/82/59/563908259.db2.gz ZYXWLDZVJRITOR-OAHLLOKOSA-N 2 0 376.282 2.738 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC000449746546 564199477 /nfs/dbraw/zinc/19/94/77/564199477.db2.gz SKSADSTXCFIBRG-UHFFFAOYSA-N 2 0 394.361 2.603 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(OC)ccc2Br)CC1 ZINC000449747548 564199944 /nfs/dbraw/zinc/19/99/44/564199944.db2.gz XPNJOELMAGRTHC-UHFFFAOYSA-N 2 0 384.362 2.963 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000564989070 564260875 /nfs/dbraw/zinc/26/08/75/564260875.db2.gz QNAIXUQDRGNHCJ-AEFFLSMTSA-N 2 0 396.329 2.606 20 0 GFADRP CC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccc(Cl)s1 ZINC000542555912 564318062 /nfs/dbraw/zinc/31/80/62/564318062.db2.gz YHCACVJNOAHVKL-GJZGRUSLSA-N 2 0 387.977 2.915 20 0 GFADRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000513698123 564436859 /nfs/dbraw/zinc/43/68/59/564436859.db2.gz WTRZCRYZNJYWOV-IXDOHACOSA-N 2 0 380.330 2.641 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC/C=C/c1ccc(Br)cc1 ZINC000516410614 564501764 /nfs/dbraw/zinc/50/17/64/564501764.db2.gz HNWMCXVRGCQBLF-AATRIKPKSA-N 2 0 397.361 2.597 20 0 GFADRP C[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1F)CN1CC[NH+](C)CC1 ZINC000527651592 564753285 /nfs/dbraw/zinc/75/32/85/564753285.db2.gz FUDSXAZIWLKTTF-LBPRGKRZSA-N 2 0 376.289 2.700 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2c(Br)cccc2cn1 ZINC000556127155 564813552 /nfs/dbraw/zinc/81/35/52/564813552.db2.gz UDPGEBFZDKLWPU-UHFFFAOYSA-N 2 0 393.329 2.563 20 0 GFADRP CC(C)[NH+]1CCN(CCC[N@H+](CCO)Cc2cccc(Br)c2)CC1 ZINC000501954871 564988864 /nfs/dbraw/zinc/98/88/64/564988864.db2.gz SRKLGXSZCCSBCG-UHFFFAOYSA-N 2 0 398.389 2.660 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000590125953 565179183 /nfs/dbraw/zinc/17/91/83/565179183.db2.gz XWEGTMWTIZYXSX-UHFFFAOYSA-N 2 0 382.346 2.681 20 0 GFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638555178 565201370 /nfs/dbraw/zinc/20/13/70/565201370.db2.gz XOJDLKWDILQNCH-AWEZNQCLSA-N 2 0 395.345 2.954 20 0 GFADRP C[NH2+]C[C@@H](C)NC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000659636935 565220964 /nfs/dbraw/zinc/22/09/64/565220964.db2.gz YMZBJBPYNORQHH-CQSZACIVSA-N 2 0 397.361 2.663 20 0 GFADRP COc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc(I)c1OC ZINC000591278527 565221228 /nfs/dbraw/zinc/22/12/28/565221228.db2.gz LEAHGSYQRPQVFT-LBPRGKRZSA-N 2 0 390.265 2.540 20 0 GFADRP C[NH+](C)[C@@H](CNC(=O)[C@H](N)c1ccccc1Br)Cc1ccccc1 ZINC000662344554 565362272 /nfs/dbraw/zinc/36/22/72/565362272.db2.gz CAUUVUNDTCUONY-CRAIPNDOSA-N 2 0 390.325 2.738 20 0 GFADRP C[C@]([NH3+])(C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000662834998 565387588 /nfs/dbraw/zinc/38/75/88/565387588.db2.gz JZHCRLUQAOLLMB-LZLYRXPVSA-N 2 0 380.330 2.756 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000663503122 565424329 /nfs/dbraw/zinc/42/43/29/565424329.db2.gz DMGQUILJXBDATO-UHFFFAOYSA-N 2 0 386.309 2.668 20 0 GFADRP O=S1(=O)CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cc(Br)ccc21 ZINC000643549144 565435270 /nfs/dbraw/zinc/43/52/70/565435270.db2.gz JARPTPFRVAYERX-FIRUKDTASA-N 2 0 399.354 2.645 20 0 GFADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000663955524 565445295 /nfs/dbraw/zinc/44/52/95/565445295.db2.gz QQYMDORKLLKKAA-QGZVFWFLSA-N 2 0 397.361 2.619 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1cc(F)c(Cl)cc1F ZINC000664778644 565479173 /nfs/dbraw/zinc/47/91/73/565479173.db2.gz KIGMWMYHQSZNQT-LBPRGKRZSA-N 2 0 376.879 2.689 20 0 GFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000644532055 565479816 /nfs/dbraw/zinc/47/98/16/565479816.db2.gz XCVUKBNMRLYSCH-WBVHZDCISA-N 2 0 385.346 2.899 20 0 GFADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)COc1cc(F)cc(Br)c1 ZINC000644524073 565480820 /nfs/dbraw/zinc/48/08/20/565480820.db2.gz PGFIUWILHGKPHV-HRCADAONSA-N 2 0 387.293 2.544 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC000666701987 565553939 /nfs/dbraw/zinc/55/39/39/565553939.db2.gz VYOSKBRTANPPFO-WMLDXEAASA-N 2 0 380.330 2.783 20 0 GFADRP COCCN(C)C[C@H](O)C[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040812 565672110 /nfs/dbraw/zinc/67/21/10/565672110.db2.gz MRWYDPBZAMKKNJ-LESCRADOSA-N 2 0 385.346 2.566 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000669519546 565691304 /nfs/dbraw/zinc/69/13/04/565691304.db2.gz IAYOYPQNXNRZQU-YZVOILCLSA-N 2 0 394.357 2.861 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000670133248 565715949 /nfs/dbraw/zinc/71/59/49/565715949.db2.gz CHOUTHXTQVJRID-AEFFLSMTSA-N 2 0 384.977 2.679 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000627220104 565727480 /nfs/dbraw/zinc/72/74/80/565727480.db2.gz LWNVZXJSOSCARZ-DQYPLSBCSA-N 2 0 385.339 2.990 20 0 GFADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000671099091 565752260 /nfs/dbraw/zinc/75/22/60/565752260.db2.gz ODUAOFFRFANIEN-BZUAXINKSA-N 2 0 384.362 2.957 20 0 GFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631062984 565937006 /nfs/dbraw/zinc/93/70/06/565937006.db2.gz DCTIJCQBODFBKZ-ZDUSSCGKSA-N 2 0 389.769 2.861 20 0 GFADRP O=C(NCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000677237072 565965793 /nfs/dbraw/zinc/96/57/93/565965793.db2.gz AMFIEPLZTPHHJU-IRXDYDNUSA-N 2 0 380.330 2.785 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679341875 566038601 /nfs/dbraw/zinc/03/86/01/566038601.db2.gz YUKXXSUHSYOFPP-DLBZAZTESA-N 2 0 383.330 2.716 20 0 GFADRP [NH3+]C[C@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(F)(F)F ZINC000655911876 566095885 /nfs/dbraw/zinc/09/58/85/566095885.db2.gz ICOZJTITCQBLMR-KBPBESRZSA-N 2 0 378.826 2.666 20 0 GFADRP C[C@H]1CN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000822797818 660354597 /nfs/dbraw/zinc/35/45/97/660354597.db2.gz LWBVTIQZYZUARQ-ZOCIIQOWSA-N 2 0 386.367 2.985 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000834904030 660837507 /nfs/dbraw/zinc/83/75/07/660837507.db2.gz MGTVXCHLYZOOPS-DXJOGWAWSA-N 2 0 397.357 2.824 20 0 GFADRP C#CCOc1ccc(Br)cc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000042208596 654636030 /nfs/dbraw/zinc/63/60/30/654636030.db2.gz ABQXOXYCRQCFKJ-UHFFFAOYSA-N 2 0 394.357 2.577 20 0 GFADRP C[NH+](C)CCN(C(=O)Nc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000132622007 654943961 /nfs/dbraw/zinc/94/39/61/654943961.db2.gz FDEVSDULMYWBRO-UHFFFAOYSA-N 2 0 383.334 2.939 20 0 GFADRP CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000271819915 655095556 /nfs/dbraw/zinc/09/55/56/655095556.db2.gz SALODDRAXFGWFF-RDJZCZTQSA-N 2 0 387.615 2.709 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000119370772 655301192 /nfs/dbraw/zinc/30/11/92/655301192.db2.gz MXQWZTGRNODPPO-YQQAZPJKSA-N 2 0 387.615 2.639 20 0 GFADRP C[C@H]1C[N@H+](CCC[NH2+]CCC(=O)Nc2cccc(Br)c2)CCCO1 ZINC000574271554 655427684 /nfs/dbraw/zinc/42/76/84/655427684.db2.gz ZDBRKXGNEUZMRN-HNNXBMFYSA-N 2 0 398.345 2.868 20 0 GFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261973900 655443392 /nfs/dbraw/zinc/44/33/92/655443392.db2.gz NHGGRNACFORUEI-XIKOKIGWSA-N 2 0 376.298 2.959 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000576692348 655450842 /nfs/dbraw/zinc/45/08/42/655450842.db2.gz BDWMUSRSPNXZFE-WMLDXEAASA-N 2 0 387.355 2.984 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000732624553 655599331 /nfs/dbraw/zinc/59/93/31/655599331.db2.gz QYGIPTUKCKPFBD-QGZVFWFLSA-N 2 0 384.659 2.687 20 0 GFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Br)ncc2F)CC1 ZINC000762746804 656057450 /nfs/dbraw/zinc/05/74/50/656057450.db2.gz JGRPCEZHCRMCDO-ZIAGYGMSSA-N 2 0 387.341 2.907 20 0 GFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3c(Cl)nc4cc(Cl)ccn43)C2)CC1 ZINC000796307073 658912181 /nfs/dbraw/zinc/91/21/81/658912181.db2.gz ZELIFUQZBFSVCW-CQSZACIVSA-N 2 0 382.339 2.899 20 0 GFADRP C[C@H](NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000843364256 661378904 /nfs/dbraw/zinc/37/89/04/661378904.db2.gz XHUFWQGROOYDOM-AWEZNQCLSA-N 2 0 380.330 2.702 20 0 GFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2nc3ccccn3c2Br)C1 ZINC000844912384 661448892 /nfs/dbraw/zinc/44/88/92/661448892.db2.gz SZAPWYGJDYUWBY-VNQPRFMTSA-N 2 0 393.329 2.958 20 0 GFADRP Cc1c(Br)cccc1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863548614 662336286 /nfs/dbraw/zinc/33/62/86/662336286.db2.gz UHDXXZZFUQOIOA-SJORKVTESA-N 2 0 394.313 2.515 20 0 GFADRP C/C(=C\c1ccc(Br)o1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016524 662671344 /nfs/dbraw/zinc/67/13/44/662671344.db2.gz NKBDGOYAJPNOHY-ISJXMTRFSA-N 2 0 398.345 2.643 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)C[C@H]1C[NH+](C)C ZINC000870025092 662671635 /nfs/dbraw/zinc/67/16/35/662671635.db2.gz NDPPJLDCMVHOQA-ZIAGYGMSSA-N 2 0 388.339 2.570 20 0 GFADRP O=S1(=O)CC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc(Br)ccc21 ZINC000873261927 662804798 /nfs/dbraw/zinc/80/47/98/662804798.db2.gz TZBHBZNAAKKOSD-UZMCECQYSA-N 2 0 399.354 2.788 20 0 GFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000873270916 662804806 /nfs/dbraw/zinc/80/48/06/662804806.db2.gz CGOHVZDAAXDKKO-VHSXEESVSA-N 2 0 380.341 2.680 20 0 GFADRP CC(C)C[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)CC1CC[NH+](C)CC1 ZINC000877767387 662883176 /nfs/dbraw/zinc/88/31/76/662883176.db2.gz GTLCXWNTBGJXPU-UHFFFAOYSA-N 2 0 387.977 2.787 20 0 GFADRP [NH3+][C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000884342849 663069308 /nfs/dbraw/zinc/06/93/08/663069308.db2.gz LMPBNWNDPQEUMD-GVDBMIGSSA-N 2 0 392.272 2.541 20 0 GFADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000892535939 663376720 /nfs/dbraw/zinc/37/67/20/663376720.db2.gz VDDITZAWTQNMPB-UHFFFAOYSA-N 2 0 397.361 2.523 20 0 GFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000921686612 664560755 /nfs/dbraw/zinc/56/07/55/664560755.db2.gz WARPDSFJFDXMIE-GFCCVEGCSA-N 2 0 375.380 2.577 20 0 GFADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(O)c1Br)C2 ZINC000922387839 664598237 /nfs/dbraw/zinc/59/82/37/664598237.db2.gz BHPRWQMJYPDEIK-LFVTVUPYSA-N 2 0 383.330 2.724 20 0 GFADRP O[C@@H](COc1ccc(Cl)cc1Br)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000923330698 664628418 /nfs/dbraw/zinc/62/84/18/664628418.db2.gz CKBWTASHIXQQHX-CJNGLKHVSA-N 2 0 389.721 2.528 20 0 GFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923368438 664629003 /nfs/dbraw/zinc/62/90/03/664629003.db2.gz CNDFPUAUGUUDGV-DOMZBBRYSA-N 2 0 391.737 2.820 20 0 GFADRP O[C@H](CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000923431478 664630403 /nfs/dbraw/zinc/63/04/03/664630403.db2.gz QJFKEOSPGOQAPF-JTDSTZFVSA-N 2 0 384.351 2.927 20 0 GFADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1Br ZINC000925850830 664675945 /nfs/dbraw/zinc/67/59/45/664675945.db2.gz BVRJMBVWRNXJIF-YPMHNXCESA-N 2 0 385.277 2.924 20 0 GFADRP CC(C)[N@H+]1[C@@H]2CCN(c3cc(-n4ccnc4)cc[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841477 720626997 /nfs/dbraw/zinc/62/69/97/720626997.db2.gz SFSBNPDVJMDCJX-SESVDKBCSA-N 2 0 391.523 2.842 20 0 GFADRP CC(C)C(=O)N1CC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@H]21 ZINC001164893752 721467141 /nfs/dbraw/zinc/46/71/41/721467141.db2.gz UQRZICDPHRRRBB-FXAWDEMLSA-N 2 0 386.540 2.638 20 0 GFADRP Cn1ccc2c1cc[nH+]c2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982363 722107368 /nfs/dbraw/zinc/10/73/68/722107368.db2.gz NZCNGVGWOZPRFT-WIYYLYMNSA-N 2 0 377.492 2.696 20 0 GFADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164985508 722130828 /nfs/dbraw/zinc/13/08/28/722130828.db2.gz ZRJXBKIRFQOACY-RBBKRZOGSA-N 2 0 393.535 2.804 20 0 GFADRP COc1ccc2c(cc[nH+]c2N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001164999532 722251768 /nfs/dbraw/zinc/25/17/68/722251768.db2.gz AIXCZUYGSVMMDC-UHFFFAOYSA-N 2 0 395.507 2.928 20 0 GFADRP C[C@@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000127706807 551343523 /nfs/dbraw/zinc/34/35/23/551343523.db2.gz RYGUEVBKQSDDJT-YOEHRIQHSA-N 2 0 382.346 2.888 20 0 GFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000153784242 551460709 /nfs/dbraw/zinc/46/07/09/551460709.db2.gz NOEIKIZUMHBOBY-CYBMUJFWSA-N 2 0 376.282 2.910 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)s1 ZINC000247021955 553117337 /nfs/dbraw/zinc/11/73/37/553117337.db2.gz MXQWZTGRNODPPO-HLLBOEOZSA-N 2 0 387.615 2.639 20 0 GFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261718889 553157588 /nfs/dbraw/zinc/15/75/88/553157588.db2.gz JVFNIGPPAOSPFS-QWQRMKEZSA-N 2 0 382.346 2.860 20 0 GFADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261871596 553161750 /nfs/dbraw/zinc/16/17/50/553161750.db2.gz XWYQJOLDYWKNCN-KSSFIOAISA-N 2 0 382.346 2.717 20 0 GFADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261871601 553161770 /nfs/dbraw/zinc/16/17/70/553161770.db2.gz XWYQJOLDYWKNCN-RDTXWAMCSA-N 2 0 382.346 2.717 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000261881251 553161857 /nfs/dbraw/zinc/16/18/57/553161857.db2.gz ZEGSMEDDRNENIE-KSSFIOAISA-N 2 0 380.330 2.567 20 0 GFADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1csc(CC[NH3+])n1 ZINC000262396962 553170376 /nfs/dbraw/zinc/17/03/76/553170376.db2.gz QKLZIYSKFTUUHR-UHFFFAOYSA-N 2 0 376.551 2.754 20 0 GFADRP Cc1nn(C)c(CNCc2ccccc2CN2CCOCC2)c1Br ZINC000279180829 563286562 /nfs/dbraw/zinc/28/65/62/563286562.db2.gz RUTGLFYQERKBPT-UHFFFAOYSA-N 2 0 393.329 2.613 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422888477 563349788 /nfs/dbraw/zinc/34/97/88/563349788.db2.gz CZTRVZRJSYGCEO-GOSISDBHSA-N 2 0 384.362 2.757 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422901429 563350056 /nfs/dbraw/zinc/35/00/56/563350056.db2.gz CACHJXGFDACSCF-SUMWQHHRSA-N 2 0 398.345 2.555 20 0 GFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422989550 563352244 /nfs/dbraw/zinc/35/22/44/563352244.db2.gz LRLIHTVJTKGEGF-WMLDXEAASA-N 2 0 382.346 2.893 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423094717 563354407 /nfs/dbraw/zinc/35/44/07/563354407.db2.gz KPDMETVFBQHAGK-SMDDNHRTSA-N 2 0 399.251 2.845 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000423092411 563354558 /nfs/dbraw/zinc/35/45/58/563354558.db2.gz BUNAWZBJINFJTA-OLZOCXBDSA-N 2 0 384.318 2.816 20 0 GFADRP COCCC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423178078 563358410 /nfs/dbraw/zinc/35/84/10/563358410.db2.gz JWFNVLFYGKENQS-SFHVURJKSA-N 2 0 384.362 2.802 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423196514 563358633 /nfs/dbraw/zinc/35/86/33/563358633.db2.gz ZWTBVSDFOQNNPG-JVPBZIDWSA-N 2 0 396.373 2.755 20 0 GFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423388604 563360207 /nfs/dbraw/zinc/36/02/07/563360207.db2.gz MZHOWUNGKDZDQO-GOEBONIOSA-N 2 0 375.460 2.658 20 0 GFADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425101292 563405356 /nfs/dbraw/zinc/40/53/56/563405356.db2.gz ZLLCGDOKYBAPFP-UKRRQHHQSA-N 2 0 397.361 2.583 20 0 GFADRP O=S(=O)(c1cccs1)N1CCC([NH2+]C[C@H]2CCCCN2C2CC2)CC1 ZINC000376470266 563443055 /nfs/dbraw/zinc/44/30/55/563443055.db2.gz AXHARKQFMIYLCL-QGZVFWFLSA-N 2 0 383.583 2.508 20 0 GFADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)[C@H]1c1cccc(Cl)c1 ZINC000376694174 563450992 /nfs/dbraw/zinc/45/09/92/563450992.db2.gz FJHYBRKQSYULOE-HHXXYDBFSA-N 2 0 381.973 2.934 20 0 GFADRP C[NH+](C)CCOCC[NH2+]Cc1cc(Cl)ccc1I ZINC000405345130 563538939 /nfs/dbraw/zinc/53/89/39/563538939.db2.gz PPBMBBXJIPHZTE-UHFFFAOYSA-N 2 0 382.673 2.612 20 0 GFADRP [NH3+]CCCOC1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000430590279 563546131 /nfs/dbraw/zinc/54/61/31/563546131.db2.gz KHWVWEZMYJFJHD-UHFFFAOYSA-N 2 0 384.318 2.608 20 0 GFADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430594812 563546210 /nfs/dbraw/zinc/54/62/10/563546210.db2.gz LOVKDOBLBRQVJY-UHFFFAOYSA-N 2 0 388.339 2.782 20 0 GFADRP C[C@@H](Cc1ccc(Br)cc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433130697 563603956 /nfs/dbraw/zinc/60/39/56/563603956.db2.gz SIOMGQJOYFYOSD-AWEZNQCLSA-N 2 0 382.346 2.700 20 0 GFADRP O=C1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)[C@H](C2CC[NH2+]CC2)N1 ZINC000333337457 563628841 /nfs/dbraw/zinc/62/88/41/563628841.db2.gz XHOZGSXVECDXEU-SCTDSRPQSA-N 2 0 392.341 2.673 20 0 GFADRP Cc1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)ccc1Br ZINC000414484626 563744535 /nfs/dbraw/zinc/74/45/35/563744535.db2.gz OHIKTGIBAUGTKI-UHFFFAOYSA-N 2 0 396.373 2.644 20 0 GFADRP CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414759389 563752860 /nfs/dbraw/zinc/75/28/60/563752860.db2.gz ODXTYNGIDJTODI-HOCLYGCPSA-N 2 0 394.357 2.783 20 0 GFADRP Fc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Br ZINC000414996142 563756033 /nfs/dbraw/zinc/75/60/33/563756033.db2.gz XCHXDJSDDLPEGG-ZDUSSCGKSA-N 2 0 384.215 2.514 20 0 GFADRP C[C@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000365793084 563793829 /nfs/dbraw/zinc/79/38/29/563793829.db2.gz DKRDQHBPXRPYEL-INIZCTEOSA-N 2 0 396.373 2.896 20 0 GFADRP COc1cc(Br)ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000368074863 563863124 /nfs/dbraw/zinc/86/31/24/563863124.db2.gz KCCKRIKZZSJAIL-CRAIPNDOSA-N 2 0 396.373 2.916 20 0 GFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(I)cc2)CC1 ZINC000449187853 563907820 /nfs/dbraw/zinc/90/78/20/563907820.db2.gz JJCWUZZKFTYBFI-UHFFFAOYSA-N 2 0 388.293 2.616 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)cs1 ZINC000505806211 564191032 /nfs/dbraw/zinc/19/10/32/564191032.db2.gz DKBUXKADAXQVKB-CQSZACIVSA-N 2 0 388.375 2.999 20 0 GFADRP CCSc1cccc(Br)c1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000563497308 564193336 /nfs/dbraw/zinc/19/33/36/564193336.db2.gz WRJWXXWICWJZBX-LLVKDONJSA-N 2 0 387.347 2.668 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449681572 564195817 /nfs/dbraw/zinc/19/58/17/564195817.db2.gz MCAGDCGOMRWKSK-JCGIZDLHSA-N 2 0 397.357 2.825 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1C ZINC000508075396 564252623 /nfs/dbraw/zinc/25/26/23/564252623.db2.gz INCUEIMKCTVPKJ-QGZVFWFLSA-N 2 0 387.977 2.685 20 0 GFADRP C[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1Br)CN1CC[NH+](C)CC1 ZINC000568926876 564440645 /nfs/dbraw/zinc/44/06/45/564440645.db2.gz APAWBKUPLBQSTA-HUUCEWRRSA-N 2 0 386.353 2.992 20 0 GFADRP CC(C)[N@H+](C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)C[C@H]1C ZINC000456374786 564603799 /nfs/dbraw/zinc/60/37/99/564603799.db2.gz QOBRQTZKBUUDEZ-CQSZACIVSA-N 2 0 397.361 2.868 20 0 GFADRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@@H]2CCC[C@@H]21 ZINC000552226032 564682501 /nfs/dbraw/zinc/68/25/01/564682501.db2.gz USVBXYNWXASQNG-ULQDDVLXSA-N 2 0 380.330 2.641 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000525819053 564709526 /nfs/dbraw/zinc/70/95/26/564709526.db2.gz LGOVKMCIFUZQSU-CQSZACIVSA-N 2 0 389.327 2.562 20 0 GFADRP CC[NH2+]CC1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000576943755 564721797 /nfs/dbraw/zinc/72/17/97/564721797.db2.gz VJXMXJUKHKMSQN-KRWDZBQOSA-N 2 0 380.330 2.876 20 0 GFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000582296309 564840141 /nfs/dbraw/zinc/84/01/41/564840141.db2.gz DNLFXTHCFIPMFP-BZUAXINKSA-N 2 0 389.309 2.790 20 0 GFADRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000582839725 564864285 /nfs/dbraw/zinc/86/42/85/564864285.db2.gz JCCZHAPRWHWIMD-BBWFWOEESA-N 2 0 380.330 2.689 20 0 GFADRP Cc1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)sc1Br ZINC000560547177 564967181 /nfs/dbraw/zinc/96/71/81/564967181.db2.gz MRGMDLNRXKHXPL-UHFFFAOYSA-N 2 0 388.375 2.901 20 0 GFADRP C[C@@H]1CC[N@H+](Cc2cnn3cc(Br)cnc23)C[C@@H]1n1ccnc1 ZINC000638172045 565187690 /nfs/dbraw/zinc/18/76/90/565187690.db2.gz NHONFOWVBOIZMV-DOMZBBRYSA-N 2 0 375.274 2.771 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)COC1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000638663408 565207174 /nfs/dbraw/zinc/20/71/74/565207174.db2.gz GUYKWBDTOCVGSQ-MQBCKMQZSA-N 2 0 388.339 2.999 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(Br)cc1 ZINC000592547691 565281292 /nfs/dbraw/zinc/28/12/92/565281292.db2.gz OOOWJFWYYFCDLV-UHFFFAOYSA-N 2 0 399.377 2.864 20 0 GFADRP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)COc1ccc(Br)cc1 ZINC000663374430 565416683 /nfs/dbraw/zinc/41/66/83/565416683.db2.gz KJGGDHLNCFLXCU-SFHVURJKSA-N 2 0 397.357 2.900 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCNC2CC2)CC1 ZINC000643507965 565434166 /nfs/dbraw/zinc/43/41/66/565434166.db2.gz XJSREDFJKUJFGQ-UHFFFAOYSA-N 2 0 380.330 2.704 20 0 GFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000644533216 565480835 /nfs/dbraw/zinc/48/08/35/565480835.db2.gz FFQVSEGVWOLGJF-KRWDZBQOSA-N 2 0 385.346 2.900 20 0 GFADRP CN(CCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)CC[NH+](C)C ZINC000623087880 565495017 /nfs/dbraw/zinc/49/50/17/565495017.db2.gz MTCWJBGQJYVTHC-UHFFFAOYSA-N 2 0 394.361 2.812 20 0 GFADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)n1 ZINC000665292624 565496207 /nfs/dbraw/zinc/49/62/07/565496207.db2.gz FNFIOERAUDBZKW-OAHLLOKOSA-N 2 0 377.286 2.514 20 0 GFADRP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000647799921 565677004 /nfs/dbraw/zinc/67/70/04/565677004.db2.gz UIKDXLNCGZHJIS-CAOSSQGBSA-N 2 0 385.321 2.717 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccccc3Br)CCC2)C1 ZINC000650704352 565832764 /nfs/dbraw/zinc/83/27/64/565832764.db2.gz VDFLNUKXAJYFSD-AWEZNQCLSA-N 2 0 380.330 2.615 20 0 GFADRP COc1cc(Br)c(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1OC ZINC000655724408 566084654 /nfs/dbraw/zinc/08/46/54/566084654.db2.gz BRMVWWXSRMNGQJ-HNNXBMFYSA-N 2 0 399.329 2.809 20 0 GFADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655930747 566096421 /nfs/dbraw/zinc/09/64/21/566096421.db2.gz UBARLQKNQWZNEU-KGLIPLIRSA-N 2 0 380.842 2.912 20 0 GFADRP COCCC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634703407 566170541 /nfs/dbraw/zinc/17/05/41/566170541.db2.gz VQIJMUBKWSZEOJ-KRWDZBQOSA-N 2 0 391.339 2.824 20 0 GFADRP C[NH+]1CCC(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000736848220 598285739 /nfs/dbraw/zinc/28/57/39/598285739.db2.gz KPBKLTHUJWGVMQ-UHFFFAOYSA-N 2 0 392.507 2.877 20 0 GFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000821197844 606409374 /nfs/dbraw/zinc/40/93/74/606409374.db2.gz MKYDEBILAAVSCN-UHFFFAOYSA-N 2 0 386.525 2.939 20 0 GFADRP Brc1ccnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000480030984 650615079 /nfs/dbraw/zinc/61/50/79/650615079.db2.gz MCGLRKDZXIASNI-UHFFFAOYSA-N 2 0 376.302 2.863 20 0 GFADRP C[NH+](C)CCN1CCC([NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576072 660201188 /nfs/dbraw/zinc/20/11/88/660201188.db2.gz MVEHOQAZMXQXFP-HNNXBMFYSA-N 2 0 387.391 2.972 20 0 GFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842675167 661348590 /nfs/dbraw/zinc/34/85/90/661348590.db2.gz DCEILKLAHRQGPD-ZDUSSCGKSA-N 2 0 389.769 2.861 20 0 GFADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000819084759 660246045 /nfs/dbraw/zinc/24/60/45/660246045.db2.gz OONSLQJTQPEHKX-KSSFIOAISA-N 2 0 383.330 2.573 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(Br)c1 ZINC000836698239 660933207 /nfs/dbraw/zinc/93/32/07/660933207.db2.gz OOORCGUSTGULKL-OAHLLOKOSA-N 2 0 398.349 2.724 20 0 GFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269054687 654996294 /nfs/dbraw/zinc/99/62/94/654996294.db2.gz IXAHQNAOIJNYNX-DZGCQCFKSA-N 2 0 378.485 2.690 20 0 GFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1Br ZINC000120788060 655344117 /nfs/dbraw/zinc/34/41/17/655344117.db2.gz KRQSELVRXLSIIB-HUUCEWRRSA-N 2 0 384.362 2.992 20 0 GFADRP C[C@]([NH3+])(C(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc(Br)cc1 ZINC000261663736 655441727 /nfs/dbraw/zinc/44/17/27/655441727.db2.gz CFKGCNVNIFASAJ-PKOBYXMFSA-N 2 0 388.309 2.626 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000840764824 661184959 /nfs/dbraw/zinc/18/49/59/661184959.db2.gz AODZXJVJJJLDPN-WMZOPIPTSA-N 2 0 380.627 2.960 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000747362834 655777915 /nfs/dbraw/zinc/77/79/15/655777915.db2.gz KJUOFUCGADWGMS-IAGOWNOFSA-N 2 0 380.627 2.909 20 0 GFADRP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(Br)nc1)C(=O)NCC[NH+](C)C ZINC000810232615 659967417 /nfs/dbraw/zinc/96/74/17/659967417.db2.gz KBQPCLRIRVMJAH-HIFRSBDPSA-N 2 0 385.350 2.587 20 0 GFADRP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1SC(F)(F)F ZINC000842475341 661341132 /nfs/dbraw/zinc/34/11/32/661341132.db2.gz PGLWZNOVWYUFDS-CQSZACIVSA-N 2 0 375.460 2.787 20 0 GFADRP CC(C)[C@H](C[NH2+]Cc1cc(Br)cnc1Cl)N1CC[NH+](C)CC1 ZINC000842671082 661348352 /nfs/dbraw/zinc/34/83/52/661348352.db2.gz WCEHVPDYWFIJPE-HNNXBMFYSA-N 2 0 389.769 2.859 20 0 GFADRP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363587 661378569 /nfs/dbraw/zinc/37/85/69/661378569.db2.gz AGJGPQKWDRVFTC-UHFFFAOYSA-N 2 0 386.359 2.545 20 0 GFADRP C[NH+](C)C[C@@H]1CN(c2ncnc3ccc(Br)cc32)C[C@H]1C[NH+](C)C ZINC000866012711 662456490 /nfs/dbraw/zinc/45/64/90/662456490.db2.gz OJAKVGXPXSNUIA-ZIAGYGMSSA-N 2 0 392.345 2.568 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000870951847 662711252 /nfs/dbraw/zinc/71/12/52/662711252.db2.gz WWEIWNXKFACOIS-DOTOQJQBSA-N 2 0 380.330 2.687 20 0 GFADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000872148958 662756776 /nfs/dbraw/zinc/75/67/76/662756776.db2.gz LTYMRYAIBGNWLF-MFKMUULPSA-N 2 0 394.235 2.847 20 0 GFADRP C[C@@H](C[NH2+]Cc1c(Br)c2ccccc2n1C)N1CC[NH+](C)CC1 ZINC000873044691 662797404 /nfs/dbraw/zinc/79/74/04/662797404.db2.gz VLKGWGHMNBUZRF-AWEZNQCLSA-N 2 0 379.346 2.666 20 0 GFADRP COc1cc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)ccc1S(=O)(=O)C(F)F ZINC000873268706 662804801 /nfs/dbraw/zinc/80/48/01/662804801.db2.gz YZHVUCOSXJQUBL-NEPJUHHUSA-N 2 0 376.469 2.730 20 0 GFADRP COc1ccc(Br)c(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000877669536 662881367 /nfs/dbraw/zinc/88/13/67/662881367.db2.gz NQVHEEKPBWQNPE-HZPDHXFCSA-N 2 0 384.362 2.629 20 0 GFADRP Cc1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1Br ZINC000877929830 662886297 /nfs/dbraw/zinc/88/62/97/662886297.db2.gz OFJPMBAUIFWQNV-HUUCEWRRSA-N 2 0 397.361 2.961 20 0 GFADRP Cc1c(Br)cccc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000878559457 662898785 /nfs/dbraw/zinc/89/87/85/662898785.db2.gz HKDRMZYBOZKZBC-HUUCEWRRSA-N 2 0 397.361 2.961 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C[C@H]1C[NH+](C)C ZINC000879316036 662923118 /nfs/dbraw/zinc/92/31/18/662923118.db2.gz QWXGJSKFOZYUKZ-VXGBXAGGSA-N 2 0 388.343 2.779 20 0 GFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884229917 663067395 /nfs/dbraw/zinc/06/73/95/663067395.db2.gz DMVVIQXHVPPRDW-YOEHRIQHSA-N 2 0 380.330 2.639 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000884294500 663068374 /nfs/dbraw/zinc/06/83/74/663068374.db2.gz CIJWQNXRIBUKAB-ZOBUZTSGSA-N 2 0 380.330 2.687 20 0 GFADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884454455 663071030 /nfs/dbraw/zinc/07/10/30/663071030.db2.gz ONXGLWHSQNMENA-INIZCTEOSA-N 2 0 380.330 2.926 20 0 GFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000892574540 663377790 /nfs/dbraw/zinc/37/77/90/663377790.db2.gz LSTYSMOXIBFXQM-AWEZNQCLSA-N 2 0 397.361 2.523 20 0 GFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1c(I)cnn1C ZINC000894385836 663459548 /nfs/dbraw/zinc/45/95/48/663459548.db2.gz ZKXWGENOTHIAAE-GFCCVEGCSA-N 2 0 378.302 2.625 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000894768907 663480620 /nfs/dbraw/zinc/48/06/20/663480620.db2.gz OTRKBRZGJOUQEJ-HNNXBMFYSA-N 2 0 385.346 2.540 20 0 GFADRP Brc1cccc(C2(C[NH2+]Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000903926417 663812307 /nfs/dbraw/zinc/81/23/07/663812307.db2.gz RTZIKSNAQCBXEA-INIZCTEOSA-N 2 0 390.329 2.787 20 0 GFADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999498 664665001 /nfs/dbraw/zinc/66/50/01/664665001.db2.gz JDFLXSADWZPBQP-YOEHRIQHSA-N 2 0 394.357 2.790 20 0 GFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Br ZINC000925853699 664676089 /nfs/dbraw/zinc/67/60/89/664676089.db2.gz KOTQVCLOLSYVSK-GXTWGEPZSA-N 2 0 397.313 2.794 20 0 GFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCCC3)[nH+]c(C)n1)C2 ZINC001164805921 720078650 /nfs/dbraw/zinc/07/86/50/720078650.db2.gz AVEMAAPEVADFHS-DENIHFKCSA-N 2 0 385.556 2.570 20 0 GFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164816074 720164455 /nfs/dbraw/zinc/16/44/55/720164455.db2.gz KGLNPPAWRYYBCW-FYYLOGMGSA-N 2 0 384.568 2.862 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164751078 720832568 /nfs/dbraw/zinc/83/25/68/720832568.db2.gz YIWIQAJMVVTINC-LVCYWYKZSA-N 2 0 391.523 2.842 20 0 GFADRP Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(-n5ccnc5)cc[nH+]4)CC[N@@H+]3C2)c1 ZINC001164903093 721560628 /nfs/dbraw/zinc/56/06/28/721560628.db2.gz AIECJTZBVNOACL-ICSRJNTNSA-N 2 0 379.439 2.748 20 0 GFADRP Cc1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001165023944 721832599 /nfs/dbraw/zinc/83/25/99/721832599.db2.gz IWEDEHBJGPLGAB-IOMROCGXSA-N 2 0 392.551 2.604 20 0 GFADRP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2nccc(C4CC[NH2+]CC4)n2)CC3)c1 ZINC001164955628 722019784 /nfs/dbraw/zinc/01/97/84/722019784.db2.gz KXMQKAUIMDUXBG-UHFFFAOYSA-N 2 0 392.551 2.831 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4CC(C(=O)NC5CCC5)C[C@@H]4C3)c2)CC1 ZINC001164970031 722085970 /nfs/dbraw/zinc/08/59/70/722085970.db2.gz BUPIMUMFJDTPLF-QZTJIDSGSA-N 2 0 398.551 2.686 20 0 GFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(I)cc1 ZINC000151870335 551422579 /nfs/dbraw/zinc/42/25/79/551422579.db2.gz VIFCUHLIGIKWSS-CYBMUJFWSA-N 2 0 388.293 2.646 20 0 GFADRP C[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000156427512 551523098 /nfs/dbraw/zinc/52/30/98/551523098.db2.gz CMKKVXBZXRGDBR-CQSZACIVSA-N 2 0 382.346 2.889 20 0 GFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ncc(Br)cc1F ZINC000187164450 552408351 /nfs/dbraw/zinc/40/83/51/552408351.db2.gz NQGSSSMDWPXYHB-ZDUSSCGKSA-N 2 0 387.341 2.907 20 0 GFADRP C[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000261681604 553155945 /nfs/dbraw/zinc/15/59/45/553155945.db2.gz GXLBBXJSZZXFIG-KSSFIOAISA-N 2 0 382.346 2.860 20 0 GFADRP C[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000261745084 553157974 /nfs/dbraw/zinc/15/79/74/553157974.db2.gz MDGLQRZAJFLXDT-GLJUWKHASA-N 2 0 382.346 2.860 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418589143 563220785 /nfs/dbraw/zinc/22/07/85/563220785.db2.gz SKNATSCXIJYDJN-DLBZAZTESA-N 2 0 397.361 2.792 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418589147 563220861 /nfs/dbraw/zinc/22/08/61/563220861.db2.gz SKNATSCXIJYDJN-IRXDYDNUSA-N 2 0 397.361 2.792 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422910508 563350707 /nfs/dbraw/zinc/35/07/07/563350707.db2.gz QVKJDEQIHJMRLQ-DYVFJYSZSA-N 2 0 398.345 2.685 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423194079 563358716 /nfs/dbraw/zinc/35/87/16/563358716.db2.gz WHNLCSCMHWHIRR-GOSISDBHSA-N 2 0 384.362 2.757 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000423481932 563361563 /nfs/dbraw/zinc/36/15/63/563361563.db2.gz XDEWBAKHQBGRCW-UXIGCNINSA-N 2 0 387.343 2.775 20 0 GFADRP Ic1cccc(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427099636 563459795 /nfs/dbraw/zinc/45/97/95/563459795.db2.gz IJNOOZGUVCDMHW-BBRMVZONSA-N 2 0 386.277 2.744 20 0 GFADRP CCn1cc(Br)cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000390967307 563524420 /nfs/dbraw/zinc/52/44/20/563524420.db2.gz WPMSCPTWYFKQSH-UHFFFAOYSA-N 2 0 387.366 2.616 20 0 GFADRP C[NH2+]CC1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000430963557 563550774 /nfs/dbraw/zinc/55/07/74/563550774.db2.gz AEVSGIYHCWPZGF-UHFFFAOYSA-N 2 0 388.293 2.992 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(Sc3nncs3)cc2)CC1 ZINC000433128735 563604337 /nfs/dbraw/zinc/60/43/37/563604337.db2.gz XQPJMYBPMAJVMC-UHFFFAOYSA-N 2 0 377.539 2.831 20 0 GFADRP C[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Oc1ccccc1Br ZINC000433148639 563604839 /nfs/dbraw/zinc/60/48/39/563604839.db2.gz BGQSAVGNSGAPMG-CQSZACIVSA-N 2 0 398.345 2.536 20 0 GFADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000434881241 563639722 /nfs/dbraw/zinc/63/97/22/563639722.db2.gz TZVSKJSOHRVXPA-QZTJIDSGSA-N 2 0 381.973 2.906 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414693804 563750077 /nfs/dbraw/zinc/75/00/77/563750077.db2.gz NCBYLDGHCRYWLL-CXAGYDPISA-N 2 0 386.323 2.564 20 0 GFADRP CCC[N@@H+](Cc1ccccc1Br)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414736118 563751463 /nfs/dbraw/zinc/75/14/63/563751463.db2.gz CSYQVXXHRSYAFE-OAHLLOKOSA-N 2 0 382.346 2.858 20 0 GFADRP CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414751586 563751617 /nfs/dbraw/zinc/75/16/17/563751617.db2.gz SQXLILCKDWSZNC-CYBMUJFWSA-N 2 0 386.309 2.607 20 0 GFADRP C[C@@H](C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739667 563751774 /nfs/dbraw/zinc/75/17/74/563751774.db2.gz JDDWAUFMPMFTNV-KBPBESRZSA-N 2 0 388.339 2.890 20 0 GFADRP CC[C@H](Cc1ccccc1Br)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414743969 563752140 /nfs/dbraw/zinc/75/21/40/563752140.db2.gz NUNAJORTWBHELR-NVXWUHKLSA-N 2 0 396.373 2.899 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2([NH3+])CCC2)CC1 ZINC000414873540 563753761 /nfs/dbraw/zinc/75/37/61/563753761.db2.gz HLODBSLPGKPBLA-UHFFFAOYSA-N 2 0 380.330 2.833 20 0 GFADRP Brc1cnc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c(Br)c1 ZINC000368080764 563863107 /nfs/dbraw/zinc/86/31/07/563863107.db2.gz IBJIRUXZSWYIJG-VIFPVBQESA-N 2 0 386.091 2.977 20 0 GFADRP COc1cc(Br)ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000368074864 563863307 /nfs/dbraw/zinc/86/33/07/563863307.db2.gz KCCKRIKZZSJAIL-MAUKXSAKSA-N 2 0 396.373 2.916 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511045886 564355057 /nfs/dbraw/zinc/35/50/57/564355057.db2.gz JCLYSOFSTXUKTN-WWGRRREGSA-N 2 0 388.293 2.988 20 0 GFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000567652893 564381151 /nfs/dbraw/zinc/38/11/51/564381151.db2.gz GWYKCGYZDXUXAF-WHOHXGKFSA-N 2 0 392.352 2.680 20 0 GFADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752938 564609475 /nfs/dbraw/zinc/60/94/75/564609475.db2.gz PAJUVOREHAHMHE-HOCLYGCPSA-N 2 0 391.339 2.824 20 0 GFADRP CCc1sc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Br ZINC000550721948 564629789 /nfs/dbraw/zinc/62/97/89/564629789.db2.gz TVMSNIXBOLLBHX-UHFFFAOYSA-N 2 0 376.364 2.638 20 0 GFADRP COc1c(Cl)cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000527376217 564741591 /nfs/dbraw/zinc/74/15/91/564741591.db2.gz JYUQYOQRFHJHMG-UHFFFAOYSA-N 2 0 377.316 2.959 20 0 GFADRP Cn1ccnc1[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581318151 564797448 /nfs/dbraw/zinc/79/74/48/564797448.db2.gz CVDPUBIXFUYNEU-DOMZBBRYSA-N 2 0 398.276 2.551 20 0 GFADRP CC[NH+]1CCC([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000462117270 564821300 /nfs/dbraw/zinc/82/13/00/564821300.db2.gz ARXLFCOKNZVGLZ-UHFFFAOYSA-N 2 0 382.346 2.872 20 0 GFADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463424566 564880338 /nfs/dbraw/zinc/88/03/38/564880338.db2.gz QGJGVIMVPORKGR-UHFFFAOYSA-N 2 0 382.346 2.524 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1cccc(Br)c1 ZINC000502598730 565001762 /nfs/dbraw/zinc/00/17/62/565001762.db2.gz BIRNHXWLAMTZQJ-UHFFFAOYSA-N 2 0 384.362 2.724 20 0 GFADRP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000469264725 565011565 /nfs/dbraw/zinc/01/15/65/565011565.db2.gz QDKXGALHZZOTRK-CQSZACIVSA-N 2 0 382.551 2.943 20 0 GFADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000562838211 565044695 /nfs/dbraw/zinc/04/46/95/565044695.db2.gz BTXUTPJLUQMYME-FUHWJXTLSA-N 2 0 396.329 2.606 20 0 GFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638349256 565192213 /nfs/dbraw/zinc/19/22/13/565192213.db2.gz IRYFUEIUVOOAIK-UHFFFAOYSA-N 2 0 381.318 2.706 20 0 GFADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2sc3c(c2Br)CNC3)C1 ZINC000662589789 565378290 /nfs/dbraw/zinc/37/82/90/565378290.db2.gz FCACXYPBAGGOEL-JTQLQIEISA-N 2 0 386.359 2.964 20 0 GFADRP Ic1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595885280 565495990 /nfs/dbraw/zinc/49/59/90/565495990.db2.gz LRTHWBGIYBYKDA-CZUORRHYSA-N 2 0 398.288 2.949 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000645107899 565513169 /nfs/dbraw/zinc/51/31/69/565513169.db2.gz SGBQAUOEQMJGCT-QANKJYHBSA-N 2 0 380.330 2.614 20 0 GFADRP Brc1cnc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000666953628 565564616 /nfs/dbraw/zinc/56/46/16/565564616.db2.gz CQJBBLQBXXFXGE-LBPRGKRZSA-N 2 0 375.108 2.838 20 0 GFADRP O=C(c1ccc(Br)cc1)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647882858 565681440 /nfs/dbraw/zinc/68/14/40/565681440.db2.gz IVEXRCFXACXLLM-UHFFFAOYSA-N 2 0 394.357 2.987 20 0 GFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3c(F)ccc(Br)c3F)C2)CC1 ZINC000669681979 565698924 /nfs/dbraw/zinc/69/89/24/565698924.db2.gz AALKABUUVSSLAS-GFCCVEGCSA-N 2 0 388.300 2.985 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(Cl)c(Cl)c1 ZINC000627099432 565721853 /nfs/dbraw/zinc/72/18/53/565721853.db2.gz QHZUFDNDKBCNFR-CHWSQXEVSA-N 2 0 383.270 2.878 20 0 GFADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)NCc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629563389 565859038 /nfs/dbraw/zinc/85/90/38/565859038.db2.gz DXUKPQKTJKWZNO-KGLIPLIRSA-N 2 0 377.838 2.805 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCc1cccc(Br)c1 ZINC000607243394 565981237 /nfs/dbraw/zinc/98/12/37/565981237.db2.gz BPNWZIXVNBCXHD-UHFFFAOYSA-N 2 0 399.377 2.517 20 0 GFADRP O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000678754978 566019342 /nfs/dbraw/zinc/01/93/42/566019342.db2.gz RABWCOOYPWVBFM-UHFFFAOYSA-N 2 0 392.341 2.771 20 0 GFADRP Clc1cccc(-c2nn[nH]n2)c1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000822581079 599509588 /nfs/dbraw/zinc/50/95/88/599509588.db2.gz ABNFPSYSFDICIV-UHFFFAOYSA-N 2 0 398.902 2.539 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000819172938 660248516 /nfs/dbraw/zinc/24/85/16/660248516.db2.gz HRRMIBDAWIUARW-CEXWTWQISA-N 2 0 397.357 2.840 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000819172583 660248571 /nfs/dbraw/zinc/24/85/71/660248571.db2.gz DTGKAVQBQPZEOG-GBESFXJTSA-N 2 0 397.357 2.840 20 0 GFADRP C[C@H](C[NH2+][C@H](C)c1ccccc1I)N1CC[NH+](C)CC1 ZINC000268922813 654991354 /nfs/dbraw/zinc/99/13/54/654991354.db2.gz WYKSKUBTZQMJPJ-ZIAGYGMSSA-N 2 0 387.309 2.578 20 0 GFADRP C[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)N1CC[NH+](C)CC1 ZINC000105467350 655093265 /nfs/dbraw/zinc/09/32/65/655093265.db2.gz MGDOVCDQOBPCKM-GFCCVEGCSA-N 2 0 392.288 2.776 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1Br ZINC000112904025 655199163 /nfs/dbraw/zinc/19/91/63/655199163.db2.gz CAGDPRSMSJXQBV-UHFFFAOYSA-N 2 0 376.726 2.668 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000276080348 655261181 /nfs/dbraw/zinc/26/11/81/655261181.db2.gz BEFBSBLRRZFYDD-SFHVURJKSA-N 2 0 397.357 2.963 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000177966266 655292932 /nfs/dbraw/zinc/29/29/32/655292932.db2.gz KQHOQUQLBAAKHD-YOEHRIQHSA-N 2 0 382.346 2.888 20 0 GFADRP C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000575975240 655441261 /nfs/dbraw/zinc/44/12/61/655441261.db2.gz GMCZSOBMYBIMGL-OAHLLOKOSA-N 2 0 384.362 2.895 20 0 GFADRP C[C@@]([NH3+])(C(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc(Br)cc1 ZINC000261663724 655441745 /nfs/dbraw/zinc/44/17/45/655441745.db2.gz CFKGCNVNIFASAJ-HKUYNNGSSA-N 2 0 388.309 2.626 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000579286406 655496987 /nfs/dbraw/zinc/49/69/87/655496987.db2.gz FVXPNXGWQOAVJU-UHFFFAOYSA-N 2 0 394.361 2.764 20 0 GFADRP C[NH+](C)C1CCC([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000579944333 655505940 /nfs/dbraw/zinc/50/59/40/655505940.db2.gz NVNZIDSXVMZBGE-UHFFFAOYSA-N 2 0 389.359 2.685 20 0 GFADRP Brc1ccoc1CNCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000735322772 655645340 /nfs/dbraw/zinc/64/53/40/655645340.db2.gz LFTQZZWXXNJXQV-UHFFFAOYSA-N 2 0 379.302 2.739 20 0 GFADRP c1cc(N2CCN(CCC[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)cc[nH+]1 ZINC000775382559 656635304 /nfs/dbraw/zinc/63/53/04/656635304.db2.gz PJHNPLUKYXPZHA-GUDVDZBRSA-N 2 0 378.611 2.563 20 0 GFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2nc3ccccn3c2Br)C1 ZINC000844912382 661448984 /nfs/dbraw/zinc/44/89/84/661448984.db2.gz SZAPWYGJDYUWBY-FVQBIDKESA-N 2 0 393.329 2.958 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000845411223 661469494 /nfs/dbraw/zinc/46/94/94/661469494.db2.gz QEIVMLBYVMCTAD-NJAFHUGGSA-N 2 0 376.948 2.749 20 0 GFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc(Br)ncc1F ZINC000850500453 661779775 /nfs/dbraw/zinc/77/97/75/661779775.db2.gz GYPJOJRAWBTSTK-QWHCGFSZSA-N 2 0 375.330 2.906 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000861646203 662253115 /nfs/dbraw/zinc/25/31/15/662253115.db2.gz OTBVOXUTMNEEAB-KBPBESRZSA-N 2 0 395.281 2.893 20 0 GFADRP COc1ncc(Br)cc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000865439504 662421489 /nfs/dbraw/zinc/42/14/89/662421489.db2.gz WMNJSHPXSIMCGB-UHFFFAOYSA-N 2 0 397.361 2.501 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3ccnc(Cl)c3s2)C[C@H]1C[NH+](C)C ZINC000870016379 662671393 /nfs/dbraw/zinc/67/13/93/662671393.db2.gz MOFUJFRAMJKGQK-ZIAGYGMSSA-N 2 0 380.945 2.761 20 0 GFADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870896613 662707279 /nfs/dbraw/zinc/70/72/79/662707279.db2.gz WWBKCWXIWWTUOZ-PBHICJAKSA-N 2 0 380.330 2.639 20 0 GFADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000870910274 662707934 /nfs/dbraw/zinc/70/79/34/662707934.db2.gz NCKPZXDVVGCEGL-QGTPRVQTSA-N 2 0 392.341 2.924 20 0 GFADRP C[C@H](C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1)N1CC[NH+](C)CC1 ZINC000872034689 662754341 /nfs/dbraw/zinc/75/43/41/662754341.db2.gz QQBOYVZILBNIJD-AYBZRNKSSA-N 2 0 396.373 2.752 20 0 GFADRP COc1cc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)ccc1S(=O)(=O)C(F)F ZINC000873273188 662804829 /nfs/dbraw/zinc/80/48/29/662804829.db2.gz YZHVUCOSXJQUBL-RYUDHWBXSA-N 2 0 376.469 2.730 20 0 GFADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)c1cccs1 ZINC000884177734 663066558 /nfs/dbraw/zinc/06/65/58/663066558.db2.gz RMBBTCLIIGGJBL-ZFWWWQNUSA-N 2 0 382.327 2.930 20 0 GFADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCSC(F)(F)F)CC1 ZINC000886080589 663102953 /nfs/dbraw/zinc/10/29/53/663102953.db2.gz CWVNHELWLPHGBT-UHFFFAOYSA-N 2 0 381.508 2.944 20 0 GFADRP C[C@H]1C[C@@H](CC[NH2+]Cc2nc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000894360375 663457590 /nfs/dbraw/zinc/45/75/90/663457590.db2.gz ZXCBCZAMMYSEGZ-GOEBONIOSA-N 2 0 392.345 2.968 20 0 GFADRP O=C(c1ccc(Br)cc1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903903089 663810721 /nfs/dbraw/zinc/81/07/21/663810721.db2.gz FTFUOYZDSJFUPA-DODVFSASSA-N 2 0 392.341 2.738 20 0 GFADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956430 663813654 /nfs/dbraw/zinc/81/36/54/663813654.db2.gz LOLHVPNMGPLRGF-NWDGAFQWSA-N 2 0 375.847 2.900 20 0 GFADRP CCn1c(Br)c(Br)nc1C[NH2+][C@H](C)Cn1ccnc1 ZINC000921526433 664552236 /nfs/dbraw/zinc/55/22/36/664552236.db2.gz DMHYQMSOLWYOJO-SECBINFHSA-N 2 0 391.111 2.803 20 0 GFADRP CCn1c(Br)c(Br)nc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000922222628 664590641 /nfs/dbraw/zinc/59/06/41/664590641.db2.gz BRHKVUGYTNIKEF-AOOOYVTPSA-N 2 0 394.155 2.858 20 0 GFADRP COC(=O)c1cc(Br)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000923284568 664627471 /nfs/dbraw/zinc/62/74/71/664627471.db2.gz PGUMWAUDMPVXEA-LLVKDONJSA-N 2 0 385.302 2.804 20 0 GFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923329459 664628299 /nfs/dbraw/zinc/62/82/99/664628299.db2.gz JRSSLIKIRVNXOQ-WTXIUTQJSA-N 2 0 387.293 2.672 20 0 GFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924630891 664659004 /nfs/dbraw/zinc/65/90/04/664659004.db2.gz BSDDVQZZRAAPRH-SFHVURJKSA-N 2 0 381.362 2.837 20 0 GFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924672131 664659370 /nfs/dbraw/zinc/65/93/70/664659370.db2.gz SJJCUUCJOJPYEJ-PBHICJAKSA-N 2 0 381.362 2.837 20 0 GFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000925561318 664673108 /nfs/dbraw/zinc/67/31/08/664673108.db2.gz ZPJAYQYJINXRFZ-CBHXASLJSA-N 2 0 380.330 2.675 20 0 GFADRP C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cccc(C[NH+](C)C)c1 ZINC000925577311 664673280 /nfs/dbraw/zinc/67/32/80/664673280.db2.gz QCZWGVMITVKFOE-HNNXBMFYSA-N 2 0 381.567 2.781 20 0 GFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849679 664675917 /nfs/dbraw/zinc/67/59/17/664675917.db2.gz JSBBXRXEIHWRPI-CZUORRHYSA-N 2 0 381.314 2.655 20 0 GFADRP [NH3+]C1CCN(c2ccnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164626090 719088460 /nfs/dbraw/zinc/08/84/60/719088460.db2.gz IDLZFBSZAIIQBH-TZIWHRDSSA-N 2 0 392.551 2.505 20 0 GFADRP c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4ccc(OC5CC[NH2+]CC5)nn4)[C@@H]3C2)cc1 ZINC001164629011 719099601 /nfs/dbraw/zinc/09/96/01/719099601.db2.gz PUEHUSXUQKTNHH-PZJWPPBQSA-N 2 0 393.535 2.708 20 0 GFADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)cc[nH+]1)CC2 ZINC001164711521 720096999 /nfs/dbraw/zinc/09/69/99/720096999.db2.gz QGWMDPUYRVXZMV-IBGZPJMESA-N 2 0 382.508 2.993 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@]4(CCN(CC5CC5)C4=O)C3)c2)CC1 ZINC001164818143 720282462 /nfs/dbraw/zinc/28/24/62/720282462.db2.gz IJOYWICJYSKGGO-QHCPKHFHSA-N 2 0 398.551 2.784 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164827182 720323230 /nfs/dbraw/zinc/32/32/30/720323230.db2.gz HBOCBGCMROCUQA-UXHICEINSA-N 2 0 386.540 2.780 20 0 GFADRP c1cc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2[nH]1 ZINC001164744921 720814950 /nfs/dbraw/zinc/81/49/50/720814950.db2.gz JSDKMACYTUNGGR-WSTZPKSXSA-N 2 0 377.496 2.534 20 0 GFADRP c1cncc(CO[C@H]2C[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[N@@H+]3C2)c1 ZINC001164879868 721184666 /nfs/dbraw/zinc/18/46/66/721184666.db2.gz UWFIIYRFECTUEM-YADHBBJMSA-N 2 0 393.535 2.552 20 0 GFADRP c1ccc(N(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)nc1 ZINC001164959720 722051395 /nfs/dbraw/zinc/05/13/95/722051395.db2.gz NKVHENMURBVEMB-MZKRTTBSSA-N 2 0 393.535 2.978 20 0 GFADRP Cn1ccc2c1cc[nH+]c2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982361 722107625 /nfs/dbraw/zinc/10/76/25/722107625.db2.gz NZCNGVGWOZPRFT-NQIIRXRSSA-N 2 0 377.492 2.696 20 0 GFADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000126887188 551333812 /nfs/dbraw/zinc/33/38/12/551333812.db2.gz PXCLGYMTXDBUEG-QGZVFWFLSA-N 2 0 380.330 2.624 20 0 GFADRP C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1)c1cccs1 ZINC000127770084 551344650 /nfs/dbraw/zinc/34/46/50/551344650.db2.gz HOFUYXOYJFXVFO-HNNXBMFYSA-N 2 0 379.551 2.535 20 0 GFADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000151865339 551422531 /nfs/dbraw/zinc/42/25/31/551422531.db2.gz FCTZMQAABDJTRO-KRWDZBQOSA-N 2 0 383.330 2.957 20 0 GFADRP C[C@@H](Cc1cccc(Br)c1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000154142832 551468399 /nfs/dbraw/zinc/46/83/99/551468399.db2.gz YNOGVPFQSCIJEL-HNNXBMFYSA-N 2 0 399.377 2.515 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000166488309 551631780 /nfs/dbraw/zinc/63/17/80/551631780.db2.gz VTAGPQRUJDCCJL-HZPDHXFCSA-N 2 0 385.599 2.538 20 0 GFADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000168954087 551634871 /nfs/dbraw/zinc/63/48/71/551634871.db2.gz YEHWBCNCNDMCMT-GOSISDBHSA-N 2 0 383.989 2.857 20 0 GFADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000171658936 551660147 /nfs/dbraw/zinc/66/01/47/551660147.db2.gz POGCHCLTNJYKTC-UHFFFAOYSA-N 2 0 388.339 2.762 20 0 GFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261718888 553157579 /nfs/dbraw/zinc/15/75/79/553157579.db2.gz JVFNIGPPAOSPFS-LBTNJELSSA-N 2 0 382.346 2.860 20 0 GFADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418569276 563220344 /nfs/dbraw/zinc/22/03/44/563220344.db2.gz HVAPTMZNZOKBLE-YOEHRIQHSA-N 2 0 397.361 2.520 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(Br)s2)CC[NH2+]CC1 ZINC000422945397 563351268 /nfs/dbraw/zinc/35/12/68/563351268.db2.gz ULKPSUSHBUZXPN-NSHDSACASA-N 2 0 375.332 2.922 20 0 GFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000422948175 563351704 /nfs/dbraw/zinc/35/17/04/563351704.db2.gz ZYMBFDUWWUNEQE-WFASDCNBSA-N 2 0 394.313 2.702 20 0 GFADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ncc(Br)cc1F ZINC000423499907 563361367 /nfs/dbraw/zinc/36/13/67/563361367.db2.gz BQGOTLFXSJUYQW-GRTSSRMGSA-N 2 0 385.325 2.850 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423469244 563361530 /nfs/dbraw/zinc/36/15/30/563361530.db2.gz YTQWCALEMAMISM-NJAPINKUSA-N 2 0 380.330 2.747 20 0 GFADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423496384 563361557 /nfs/dbraw/zinc/36/15/57/563361557.db2.gz WTEZBKUIYMIFKI-BBRMVZONSA-N 2 0 388.293 2.580 20 0 GFADRP Cc1nc(C(F)(F)F)c(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)s1 ZINC000375202487 563394758 /nfs/dbraw/zinc/39/47/58/563394758.db2.gz QSUZFQLVZTVFPH-OCCSQVGLSA-N 2 0 376.492 2.928 20 0 GFADRP Cc1cc(Br)cn2c(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cnc12 ZINC000282062092 563396445 /nfs/dbraw/zinc/39/64/45/563396445.db2.gz BODAXKIGFMBODL-UHFFFAOYSA-N 2 0 394.361 2.521 20 0 GFADRP CC[C@H](C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)[NH+](C)C ZINC000425101063 563404368 /nfs/dbraw/zinc/40/43/68/563404368.db2.gz XMAVYDFOSSMPES-OAHLLOKOSA-N 2 0 385.350 2.726 20 0 GFADRP CC[C@@H](CO)[NH+]1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)CC1 ZINC000425226342 563413481 /nfs/dbraw/zinc/41/34/81/563413481.db2.gz HQQMTBVLMZWWHJ-ZDUSSCGKSA-N 2 0 394.313 2.899 20 0 GFADRP COc1cc2[nH+]ccc(N3C[C@@H](C)[N@H+](CCO)C[C@H]3C)c2cc1Br ZINC000425265441 563415832 /nfs/dbraw/zinc/41/58/32/563415832.db2.gz DPYOYGNRVBVIMZ-CHWSQXEVSA-N 2 0 394.313 2.897 20 0 GFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000375837372 563420416 /nfs/dbraw/zinc/42/04/16/563420416.db2.gz GMLCMBGHNQYRMQ-HNNXBMFYSA-N 2 0 385.599 2.611 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(F)cc1Br ZINC000390964157 563524542 /nfs/dbraw/zinc/52/45/42/563524542.db2.gz UVHOYRDUYCIJLQ-UHFFFAOYSA-N 2 0 388.325 2.934 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)NCCc2nc3cc(Cl)ccc3s2)CC1 ZINC000433130457 563604005 /nfs/dbraw/zinc/60/40/05/563604005.db2.gz ABGYCZKTOAXJHT-UHFFFAOYSA-N 2 0 380.945 2.812 20 0 GFADRP C[C@@H](Cc1cccc(Br)c1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433144600 563604208 /nfs/dbraw/zinc/60/42/08/563604208.db2.gz NCBGSRBYLZDUOR-AWEZNQCLSA-N 2 0 382.346 2.700 20 0 GFADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000434881243 563640036 /nfs/dbraw/zinc/64/00/36/563640036.db2.gz TZVSKJSOHRVXPA-ROUUACIJSA-N 2 0 381.973 2.906 20 0 GFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CC[NH2+]1 ZINC000414743352 563751804 /nfs/dbraw/zinc/75/18/04/563751804.db2.gz IQSJTOUBJJXBKJ-ILXRZTDVSA-N 2 0 395.345 2.883 20 0 GFADRP COc1cc(Cl)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000414971416 563755542 /nfs/dbraw/zinc/75/55/42/563755542.db2.gz INPRAGPFMPWSCA-CQSZACIVSA-N 2 0 386.245 2.928 20 0 GFADRP C[NH+](C)[C@]1(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCSC1 ZINC000415952466 563801258 /nfs/dbraw/zinc/80/12/58/563801258.db2.gz HIMWODNIYXMTNS-HNNXBMFYSA-N 2 0 376.448 2.723 20 0 GFADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1ccc(Br)cc1 ZINC000565534796 564285426 /nfs/dbraw/zinc/28/54/26/564285426.db2.gz IKWKGNSJRMJVDE-KRWDZBQOSA-N 2 0 383.330 2.653 20 0 GFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000517733067 564541333 /nfs/dbraw/zinc/54/13/33/564541333.db2.gz WVBYCYJNEMHOJY-DOTOQJQBSA-N 2 0 385.346 2.899 20 0 GFADRP C[C@@H]1CC[N@H+](CC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000571819109 564567996 /nfs/dbraw/zinc/56/79/96/564567996.db2.gz PEMTXDABFKRAKO-OAHLLOKOSA-N 2 0 394.357 2.872 20 0 GFADRP CC[NH+](CC)CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456383209 564604395 /nfs/dbraw/zinc/60/43/95/564604395.db2.gz YZXYRVCWIQHUEO-AWEZNQCLSA-N 2 0 397.361 2.870 20 0 GFADRP C(CC[NH+]1CCO[C@]2(CCSC2)C1)CC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000573560745 564643211 /nfs/dbraw/zinc/64/32/11/564643211.db2.gz BONNNDCZJPETDV-KDURUIRLSA-N 2 0 386.627 2.573 20 0 GFADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000527954490 564765230 /nfs/dbraw/zinc/76/52/30/564765230.db2.gz ZSAZBQSSKSBEPU-PBHICJAKSA-N 2 0 382.346 2.996 20 0 GFADRP C[C@H](C[NH2+][C@H]1CCc2cccc(Br)c2C1)CN1CC[NH+](C)CC1 ZINC000555537742 564796778 /nfs/dbraw/zinc/79/67/78/564796778.db2.gz VRTZKZXRZLNHQI-WBVHZDCISA-N 2 0 380.374 2.780 20 0 GFADRP C[C@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CC[NH2+]1 ZINC000581654822 564812686 /nfs/dbraw/zinc/81/26/86/564812686.db2.gz QAYSLMFITHEGJE-UONOGXRCSA-N 2 0 395.345 2.883 20 0 GFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CC[NH2+]1 ZINC000581654821 564812831 /nfs/dbraw/zinc/81/28/31/564812831.db2.gz QAYSLMFITHEGJE-KGLIPLIRSA-N 2 0 395.345 2.883 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(Br)cc1F ZINC000529566147 564842708 /nfs/dbraw/zinc/84/27/08/564842708.db2.gz AUSPNBSTKQOGIA-HNNXBMFYSA-N 2 0 387.341 2.831 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000531523201 564912343 /nfs/dbraw/zinc/91/23/43/564912343.db2.gz AWTNNFWDHBZKIL-UHFFFAOYSA-N 2 0 394.368 2.970 20 0 GFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000501414711 564978739 /nfs/dbraw/zinc/97/87/39/564978739.db2.gz BBVIVPQZCDLNSU-LBPRGKRZSA-N 2 0 376.289 2.843 20 0 GFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000685477641 565107745 /nfs/dbraw/zinc/10/77/45/565107745.db2.gz JCPKXBSQLFDHDL-UHFFFAOYSA-N 2 0 381.318 2.718 20 0 GFADRP Brc1cccc(C2([NH2+]C[C@H]3CCC4(C[NH2+]C4)O3)CCOCC2)c1 ZINC000662259040 565357359 /nfs/dbraw/zinc/35/73/59/565357359.db2.gz OUZWPRBLHYYFAS-MRXNPFEDSA-N 2 0 381.314 2.565 20 0 GFADRP C[C@@]([NH3+])(C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000662971590 565391305 /nfs/dbraw/zinc/39/13/05/565391305.db2.gz IOPXCMDMHUYWTO-IBGZPJMESA-N 2 0 394.357 2.861 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000623401039 565508387 /nfs/dbraw/zinc/50/83/87/565508387.db2.gz OZMQDWLQMWILJD-HNNXBMFYSA-N 2 0 387.615 2.784 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647799187 565677204 /nfs/dbraw/zinc/67/72/04/565677204.db2.gz ACRHICHMQQDJQF-ILXVDBEPSA-N 2 0 397.357 2.586 20 0 GFADRP C[NH2+]CCOCC[N@H+](C)Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000629654247 565865095 /nfs/dbraw/zinc/86/50/95/565865095.db2.gz ONPYKJBURVGAFH-UHFFFAOYSA-N 2 0 395.345 2.919 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000652346046 565922631 /nfs/dbraw/zinc/92/26/31/565922631.db2.gz RWVUMEHJHULPSR-LXZKKBNFSA-N 2 0 396.329 2.606 20 0 GFADRP COc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(F)cc1Br ZINC000631128440 565943283 /nfs/dbraw/zinc/94/32/83/565943283.db2.gz XKCVDTXXQVTBNF-UHFFFAOYSA-N 2 0 388.325 2.712 20 0 GFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736564471 598561589 /nfs/dbraw/zinc/56/15/89/598561589.db2.gz BUUTVVQUWKZQCW-GOSISDBHSA-N 2 0 392.507 2.877 20 0 GFADRP CC[NH+](CC)CC1CC[NH+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)CC1 ZINC000736532332 599577734 /nfs/dbraw/zinc/57/77/34/599577734.db2.gz AYCKMHUZAZLBFU-UHFFFAOYSA-N 2 0 394.527 2.742 20 0 GFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824937236 608279830 /nfs/dbraw/zinc/27/98/30/608279830.db2.gz OYPMOHIXMFICJX-JXFKEZNVSA-N 2 0 384.528 2.878 20 0 GFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826506961 608523851 /nfs/dbraw/zinc/52/38/51/608523851.db2.gz GFNHZDYFEWERDT-NJDAHSKKSA-N 2 0 396.539 2.602 20 0 GFADRP C[C@]1(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1(Cl)Cl ZINC000822900983 660357118 /nfs/dbraw/zinc/35/71/18/660357118.db2.gz TYFRXRJPMUDVQT-KRWDZBQOSA-N 2 0 385.339 2.684 20 0 GFADRP CC[NH+]1CCN([C@H](C)C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000102422382 655055045 /nfs/dbraw/zinc/05/50/45/655055045.db2.gz XRKCXZJXJSGACA-OAHLLOKOSA-N 2 0 394.357 2.841 20 0 GFADRP Brc1cncc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000274342222 655185487 /nfs/dbraw/zinc/18/54/87/655185487.db2.gz QAAOIFRIRYOLRP-UHFFFAOYSA-N 2 0 390.329 2.541 20 0 GFADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000264167856 655458291 /nfs/dbraw/zinc/45/82/91/655458291.db2.gz XZKVGUSATIULGX-SFHVURJKSA-N 2 0 383.330 2.527 20 0 GFADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760477952 655982156 /nfs/dbraw/zinc/98/21/56/655982156.db2.gz SDPMZZQEPLLANA-UHFFFAOYSA-N 2 0 383.005 2.920 20 0 GFADRP C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC[NH2+]CC1 ZINC000873220767 662803944 /nfs/dbraw/zinc/80/39/44/662803944.db2.gz SNYADCPSGXLFGA-CQSZACIVSA-N 2 0 382.346 2.763 20 0 GFADRP [NH3+][C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000884343979 663069324 /nfs/dbraw/zinc/06/93/24/663069324.db2.gz RVIIRXOUHLFGRX-UAGQMJEPSA-N 2 0 392.272 2.541 20 0 GFADRP Brc1cccc(C2(C[NH2+]Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000903926418 663812175 /nfs/dbraw/zinc/81/21/75/663812175.db2.gz RTZIKSNAQCBXEA-MRXNPFEDSA-N 2 0 390.329 2.787 20 0 GFADRP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000905173816 663856569 /nfs/dbraw/zinc/85/65/69/663856569.db2.gz HRRMIBDAWIUARW-QYZOEREBSA-N 2 0 397.357 2.840 20 0 GFADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000911867556 664259948 /nfs/dbraw/zinc/25/99/48/664259948.db2.gz KZQBXWOXFWUMFM-QGZVFWFLSA-N 2 0 396.373 2.902 20 0 GFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923393825 664629439 /nfs/dbraw/zinc/62/94/39/664629439.db2.gz YQADRDXDAMVZMG-RTXFEEFZSA-N 2 0 377.710 2.654 20 0 GFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923419761 664630170 /nfs/dbraw/zinc/63/01/70/664630170.db2.gz CDZSQYGBHGCCGB-ZLKJLUDKSA-N 2 0 377.710 2.558 20 0 GFADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923479463 664631104 /nfs/dbraw/zinc/63/11/04/664631104.db2.gz PKDJMUZCXVZFBI-DGCLKSJQSA-N 2 0 377.710 2.513 20 0 GFADRP [NH3+]C1CCN(CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000925812399 664675278 /nfs/dbraw/zinc/67/52/78/664675278.db2.gz PKQZERXYZGRDOZ-IBGZPJMESA-N 2 0 396.373 2.930 20 0 GFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000926201705 664684655 /nfs/dbraw/zinc/68/46/55/664684655.db2.gz OLHXZBFTGHBKED-KDOFPFPSSA-N 2 0 381.362 2.837 20 0 GFADRP c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001164726339 720420078 /nfs/dbraw/zinc/42/00/78/720420078.db2.gz BNKMXEGDBXZXRE-LEWJYISDSA-N 2 0 393.535 2.804 20 0 GFADRP Nc1cc[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754871 720869770 /nfs/dbraw/zinc/86/97/70/720869770.db2.gz UFFUGCXGFFAYMY-REWPJTCUSA-N 2 0 393.535 2.814 20 0 GFADRP c1cncc(CO[C@@H]2C[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[N@@H+]3C2)c1 ZINC001164867268 721114147 /nfs/dbraw/zinc/11/41/47/721114147.db2.gz XPAJIHDJLRQIOX-LEWJYISDSA-N 2 0 379.508 2.557 20 0 GFADRP FC1(F)CCN(c2ccc3c(n2)CC[NH2+]C3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907981 721586849 /nfs/dbraw/zinc/58/68/49/721586849.db2.gz XQLVUNRSFYNWSE-OAQYLSRUSA-N 2 0 399.489 2.860 20 0 GFADRP Cc1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001165023947 721832663 /nfs/dbraw/zinc/83/26/63/721832663.db2.gz IWEDEHBJGPLGAB-WMQCIHAUSA-N 2 0 392.551 2.604 20 0 GFADRP Brc1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000514214834 532780779 /nfs/dbraw/zinc/78/07/79/532780779.db2.gz PHWVBXQFIICYOF-UHFFFAOYSA-N 2 0 376.302 2.863 20 0 GFADRP C[C@@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000127483028 551341580 /nfs/dbraw/zinc/34/15/80/551341580.db2.gz CAHVDTMWQVVFKG-YOEHRIQHSA-N 2 0 382.346 2.888 20 0 GFADRP C[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000152692338 551437937 /nfs/dbraw/zinc/43/79/37/551437937.db2.gz VNHXJLOBQIEQDR-AWEZNQCLSA-N 2 0 382.346 2.889 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000154973553 551487618 /nfs/dbraw/zinc/48/76/18/551487618.db2.gz JUCOERORWDVWER-PBHICJAKSA-N 2 0 382.346 2.888 20 0 GFADRP C[C@@H]([NH2+]Cc1cccs1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000156538772 551524387 /nfs/dbraw/zinc/52/43/87/551524387.db2.gz DJZCALRDUCOYQF-OAHLLOKOSA-N 2 0 381.567 2.829 20 0 GFADRP Brc1cncc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000186579669 552391423 /nfs/dbraw/zinc/39/14/23/552391423.db2.gz VBAUZLOWSLXBQX-UHFFFAOYSA-N 2 0 389.341 2.752 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Br)cc2)[C@@H](C)C1 ZINC000247057845 553118240 /nfs/dbraw/zinc/11/82/40/553118240.db2.gz OTNXAPQRSAUNLS-LESCRADOSA-N 2 0 385.346 2.851 20 0 GFADRP C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000248845577 553135541 /nfs/dbraw/zinc/13/55/41/553135541.db2.gz AKTLOMXOKXDBOS-ZTFGCOKTSA-N 2 0 392.341 2.971 20 0 GFADRP O=C(NC[C@H]1CCC[N@@H+](Cc2sccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000262103686 553165939 /nfs/dbraw/zinc/16/59/39/553165939.db2.gz JCYDFNBEKZGKPM-OCCSQVGLSA-N 2 0 386.359 2.591 20 0 GFADRP C[C@@H](NC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000418697679 563223053 /nfs/dbraw/zinc/22/30/53/563223053.db2.gz MEUIWZXRYNYJMR-UONOGXRCSA-N 2 0 397.361 2.791 20 0 GFADRP NC(=O)[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(Br)c1 ZINC000298171770 563347108 /nfs/dbraw/zinc/34/71/08/563347108.db2.gz UJCDCDLRQYCFOJ-QGZVFWFLSA-N 2 0 389.297 2.629 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422842663 563349776 /nfs/dbraw/zinc/34/97/76/563349776.db2.gz YUJSXJWJSZETIA-YQFWSFKMSA-N 2 0 383.330 2.963 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCOc2cccc(Br)c2)CC[NH2+]CC1 ZINC000422944579 563351670 /nfs/dbraw/zinc/35/16/70/563351670.db2.gz MNCZGBIOSXYXDL-CQSZACIVSA-N 2 0 399.329 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ZINC000333305323 563627387 /nfs/dbraw/zinc/62/73/87/563627387.db2.gz QTIWEFFXQNPSRT-XNJGSVPQSA-N 2 0 398.370 2.734 20 0 GFADRP O=C1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000333336203 563628700 /nfs/dbraw/zinc/62/87/00/563628700.db2.gz XCVMLKPPQUNSDH-LMMKCTJWSA-N 2 0 392.341 2.673 20 0 GFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000411765679 563633692 /nfs/dbraw/zinc/63/36/92/563633692.db2.gz FJXVEGWJFOHTMR-LBPRGKRZSA-N 2 0 386.309 2.839 20 0 GFADRP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC1(c2ccc(Br)cc2)CC1 ZINC000414746592 563751587 /nfs/dbraw/zinc/75/15/87/563751587.db2.gz SKVIUDNHYGATAQ-OAHLLOKOSA-N 2 0 394.357 2.610 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)C1 ZINC000414753378 563751978 /nfs/dbraw/zinc/75/19/78/563751978.db2.gz DMFBZGPDYLUHLW-OLZOCXBDSA-N 2 0 386.359 2.845 20 0 GFADRP Cc1cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Br ZINC000414986614 563756451 /nfs/dbraw/zinc/75/64/51/563756451.db2.gz NVKYWZXBDSZFGA-CQSZACIVSA-N 2 0 380.252 2.683 20 0 GFADRP COCCC[N@H+](C)CCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000365671035 563790600 /nfs/dbraw/zinc/79/06/00/563790600.db2.gz NGICLSGMCVIHNA-UHFFFAOYSA-N 2 0 387.977 2.698 20 0 GFADRP CS[C@H]1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000415948941 563801044 /nfs/dbraw/zinc/80/10/44/563801044.db2.gz FDEINCNFJZFVTM-KGLIPLIRSA-N 2 0 376.448 2.673 20 0 GFADRP [NH3+]CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000415997223 563801922 /nfs/dbraw/zinc/80/19/22/563801922.db2.gz RBPRTBPJOFFQJK-OCCSQVGLSA-N 2 0 378.464 2.539 20 0 GFADRP [NH3+]CCC1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000563231440 564181555 /nfs/dbraw/zinc/18/15/55/564181555.db2.gz IXPMNTKZUJNTTB-UHFFFAOYSA-N 2 0 382.346 2.847 20 0 GFADRP CN(CC[N@H+](C)CCOc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000538134273 564183763 /nfs/dbraw/zinc/18/37/63/564183763.db2.gz BNNNGBBDMFRWJF-UHFFFAOYSA-N 2 0 384.362 2.786 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(Cl)c1F ZINC000508078128 564252919 /nfs/dbraw/zinc/25/29/19/564252919.db2.gz GZXIYEOLQINCKH-AWEZNQCLSA-N 2 0 391.940 2.516 20 0 GFADRP CC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccc(Cl)s1 ZINC000542555907 564318614 /nfs/dbraw/zinc/31/86/14/564318614.db2.gz YHCACVJNOAHVKL-CABCVRRESA-N 2 0 387.977 2.915 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]21 ZINC000566562202 564332416 /nfs/dbraw/zinc/33/24/16/564332416.db2.gz OKWKKVIJSBOONJ-VJUNAUMWSA-N 2 0 378.314 2.614 20 0 GFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000510656119 564342320 /nfs/dbraw/zinc/34/23/20/564342320.db2.gz KPYMZLZDVQYCNK-PBHICJAKSA-N 2 0 380.330 2.613 20 0 GFADRP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000479691769 564447626 /nfs/dbraw/zinc/44/76/26/564447626.db2.gz LZDSCACRTWAVJX-HNNXBMFYSA-N 2 0 395.345 2.884 20 0 GFADRP C[C@H]1CC[N@H+](CC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)C1 ZINC000515669045 564484760 /nfs/dbraw/zinc/48/47/60/564484760.db2.gz USXBFVUSEDTATO-AWEZNQCLSA-N 2 0 395.301 2.609 20 0 GFADRP C[C@]([NH3+])(C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000571998443 564576513 /nfs/dbraw/zinc/57/65/13/564576513.db2.gz KJVLAENUVAHFRV-GOSISDBHSA-N 2 0 380.330 2.614 20 0 GFADRP CC[N@H+](CC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1)C1CC1 ZINC000553155024 564711447 /nfs/dbraw/zinc/71/14/47/564711447.db2.gz SQTFKVFMFOGWMW-UHFFFAOYSA-N 2 0 395.301 2.752 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)[C@H](C)C1 ZINC000490404409 564770136 /nfs/dbraw/zinc/77/01/36/564770136.db2.gz RFMFIHCZGUOHPW-WBVHZDCISA-N 2 0 387.366 2.762 20 0 GFADRP Cn1ccnc1[C@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581318153 564797321 /nfs/dbraw/zinc/79/73/21/564797321.db2.gz CVDPUBIXFUYNEU-SWLSCSKDSA-N 2 0 398.276 2.551 20 0 GFADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1ccc(Br)cc1 ZINC000581662495 564812922 /nfs/dbraw/zinc/81/29/22/564812922.db2.gz LNQCDDBKBTUBRD-QGZVFWFLSA-N 2 0 383.330 2.653 20 0 GFADRP C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581667370 564813763 /nfs/dbraw/zinc/81/37/63/564813763.db2.gz JJOIXBQPHGAZPT-HOCLYGCPSA-N 2 0 380.330 2.654 20 0 GFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000556889684 564844437 /nfs/dbraw/zinc/84/44/37/564844437.db2.gz PSFKGAZCPOXYTJ-INIZCTEOSA-N 2 0 396.373 2.962 20 0 GFADRP Cc1[nH+]c2ccc(Br)cc2c(NC[C@H]2C[N@@H+](C)CCN2C)c1C ZINC000462839162 564859726 /nfs/dbraw/zinc/85/97/26/564859726.db2.gz UJOPWHNCJDWKOG-HNNXBMFYSA-N 2 0 377.330 2.694 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1SCCc2sccc21 ZINC000463627263 564885292 /nfs/dbraw/zinc/88/52/92/564885292.db2.gz JGDAMDVTAQSPNH-YJBOKZPZSA-N 2 0 381.611 2.953 20 0 GFADRP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Br ZINC000531959295 564924582 /nfs/dbraw/zinc/92/45/82/564924582.db2.gz JNOOPSDXIIMSOR-UKRRQHHQSA-N 2 0 398.345 2.696 20 0 GFADRP O=c1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)nc2ccc(Br)cn12 ZINC000533389718 564961449 /nfs/dbraw/zinc/96/14/49/564961449.db2.gz OQWCOIIHUVHPOC-GFCCVEGCSA-N 2 0 388.269 2.560 20 0 GFADRP Cc1c(Br)cncc1CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000657417452 565099231 /nfs/dbraw/zinc/09/92/31/565099231.db2.gz YUBMJEVGKMLNMI-UHFFFAOYSA-N 2 0 376.302 2.911 20 0 GFADRP C[NH+](C)[C@@H](CNC(=O)[C@@H](N)c1ccccc1Br)Cc1ccccc1 ZINC000662344559 565362151 /nfs/dbraw/zinc/36/21/51/565362151.db2.gz CAUUVUNDTCUONY-QAPCUYQASA-N 2 0 390.325 2.738 20 0 GFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000662692777 565381983 /nfs/dbraw/zinc/38/19/83/565381983.db2.gz GKYMWWMEXIFMPF-KSSFIOAISA-N 2 0 382.346 2.860 20 0 GFADRP O=S1(=O)CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2cc(Br)ccc21 ZINC000643549141 565435044 /nfs/dbraw/zinc/43/50/44/565435044.db2.gz JARPTPFRVAYERX-DMEJVMROSA-N 2 0 399.354 2.645 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCc3ccc(I)cc32)CC1 ZINC000595005468 565440683 /nfs/dbraw/zinc/44/06/83/565440683.db2.gz ZRJLEAOXRFLXJD-KRWDZBQOSA-N 2 0 399.320 2.506 20 0 GFADRP C[C@@H](C[NH2+][C@@H]1CCc2ccc(I)cc21)N1CC[NH+](C)CC1 ZINC000595012817 565441861 /nfs/dbraw/zinc/44/18/61/565441861.db2.gz OSGNYNSRRJOYIQ-SUMWQHHRSA-N 2 0 399.320 2.504 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595018338 565443053 /nfs/dbraw/zinc/44/30/53/565443053.db2.gz NPWSQWJZVHMZAS-DYVFJYSZSA-N 2 0 399.320 2.504 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)ccc1I ZINC000596649188 565530853 /nfs/dbraw/zinc/53/08/53/565530853.db2.gz CHCGGZJCSSXMPK-GFCCVEGCSA-N 2 0 382.673 2.788 20 0 GFADRP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000623854109 565533235 /nfs/dbraw/zinc/53/32/35/565533235.db2.gz SOAAWXYHWCWJHG-CYBMUJFWSA-N 2 0 378.870 2.912 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000647798259 565676749 /nfs/dbraw/zinc/67/67/49/565676749.db2.gz OPDLBOUOIHIYBY-MWDXBVQZSA-N 2 0 397.357 2.586 20 0 GFADRP CS(=O)(=O)c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000647796584 565676961 /nfs/dbraw/zinc/67/69/61/565676961.db2.gz FPTOIYZOMCLDMA-VNHYZAJKSA-N 2 0 376.444 2.587 20 0 GFADRP Brc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(N2CCOCC2)c1 ZINC000647793023 565677134 /nfs/dbraw/zinc/67/71/34/565677134.db2.gz IALONGHUFFIYNV-YXJHDRRASA-N 2 0 394.357 2.763 20 0 GFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3c(F)ccc(Br)c3F)C2)CC1 ZINC000669681980 565699075 /nfs/dbraw/zinc/69/90/75/565699075.db2.gz AALKABUUVSSLAS-LBPRGKRZSA-N 2 0 388.300 2.985 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1cccs1 ZINC000626920610 565715153 /nfs/dbraw/zinc/71/51/53/565715153.db2.gz GFLKLSPXHDVYAU-FRRDWIJNSA-N 2 0 378.464 2.520 20 0 GFADRP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629539054 565857765 /nfs/dbraw/zinc/85/77/65/565857765.db2.gz PSRPFFLPFCFTMP-XCRHUMRWSA-N 2 0 378.314 2.763 20 0 GFADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccccc1Cl ZINC000655914411 566095722 /nfs/dbraw/zinc/09/57/22/566095722.db2.gz YYGQBTHURSZYPS-KBPBESRZSA-N 2 0 380.842 2.912 20 0 GFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824929386 608282793 /nfs/dbraw/zinc/28/27/93/608282793.db2.gz WYWQLMJJRFAXOM-LPHOPBHVSA-N 2 0 384.528 2.878 20 0 GFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000826157718 608378300 /nfs/dbraw/zinc/37/83/00/608378300.db2.gz IHOBLVWJLWIANN-UHFFFAOYSA-N 2 0 390.507 2.576 20 0 GFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000825870347 608501910 /nfs/dbraw/zinc/50/19/10/608501910.db2.gz IAAYATJTCXDBOH-OAQYLSRUSA-N 2 0 392.507 2.974 20 0 GFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C[C@H](C)O1 ZINC000824983728 608505155 /nfs/dbraw/zinc/50/51/55/608505155.db2.gz BZFUKCHUCXVYEL-YRNRMSPPSA-N 2 0 384.528 2.723 20 0 GFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000824625068 609406936 /nfs/dbraw/zinc/40/69/36/609406936.db2.gz FGFAEZPEAYJFRA-HRAATJIYSA-N 2 0 392.507 2.674 20 0 GFADRP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826201793 609444054 /nfs/dbraw/zinc/44/40/54/609444054.db2.gz DNLAMTNLWVDORQ-VQIMIIECSA-N 2 0 392.507 2.876 20 0 GFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817577218 660201191 /nfs/dbraw/zinc/20/11/91/660201191.db2.gz GDYLWJZIRYTPRF-OAHLLOKOSA-N 2 0 387.391 2.974 20 0 GFADRP COc1cc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1S(=O)(=O)C(F)F ZINC000817981385 660212989 /nfs/dbraw/zinc/21/29/89/660212989.db2.gz RWOPICDNINUPHM-JSGCOSHPSA-N 2 0 376.469 2.874 20 0 GFADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000819083904 660245855 /nfs/dbraw/zinc/24/58/55/660245855.db2.gz HRXCGRWUSJQDAT-KSSFIOAISA-N 2 0 383.330 2.573 20 0 GFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000124962274 654784674 /nfs/dbraw/zinc/78/46/74/654784674.db2.gz QYCUQKVFTLFISL-HOCLYGCPSA-N 2 0 395.345 2.979 20 0 GFADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000125934183 654805628 /nfs/dbraw/zinc/80/56/28/654805628.db2.gz LYUWINCMZYXGEX-OAHLLOKOSA-N 2 0 398.345 2.868 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)s1 ZINC000119392796 655302492 /nfs/dbraw/zinc/30/24/92/655302492.db2.gz CTMDWHRJRUDVBA-OAHLLOKOSA-N 2 0 387.615 2.641 20 0 GFADRP C[NH+](Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000277329165 655313310 /nfs/dbraw/zinc/31/33/10/655313310.db2.gz CNWAYGMPZXTLHR-MSOLQXFVSA-N 2 0 383.330 2.891 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(Br)ccc1C ZINC000786863693 657476534 /nfs/dbraw/zinc/47/65/34/657476534.db2.gz GIHDYCFMYATEDU-OAHLLOKOSA-N 2 0 397.361 2.641 20 0 GFADRP Cn1nc(Br)cc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000790621670 658003735 /nfs/dbraw/zinc/00/37/35/658003735.db2.gz CKVKETQCGQRERW-UHFFFAOYSA-N 2 0 393.329 2.945 20 0 GFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCCNC(=O)C(F)(F)F)C2)s1 ZINC000844327319 661416112 /nfs/dbraw/zinc/41/61/12/661416112.db2.gz PSJPAWSAIXLPQP-AWEZNQCLSA-N 2 0 377.476 2.879 20 0 GFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000873270915 662804822 /nfs/dbraw/zinc/80/48/22/662804822.db2.gz CGOHVZDAAXDKKO-UWVGGRQHSA-N 2 0 380.341 2.680 20 0 GFADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H]2C[C@@]2(C)Br)CC1 ZINC000891786917 663350304 /nfs/dbraw/zinc/35/03/04/663350304.db2.gz PPLAILRFKIJYBF-CRAIPNDOSA-N 2 0 388.394 2.576 20 0 GFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000903434495 663784696 /nfs/dbraw/zinc/78/46/96/663784696.db2.gz GEXQVFBHVSUWJE-HIFRSBDPSA-N 2 0 380.330 2.955 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)[C@@H](C)C1 ZINC000903477492 663785290 /nfs/dbraw/zinc/78/52/90/663785290.db2.gz CNKLEILWXUNLOB-XHSDSOJGSA-N 2 0 399.377 2.687 20 0 GFADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H](C)Cc2ccccc2Br)cnn1C ZINC000903920418 663811705 /nfs/dbraw/zinc/81/17/05/663811705.db2.gz JHRPOYANUYJGIF-HIFRSBDPSA-N 2 0 379.346 2.829 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc2ccc(F)c(Br)c2)cnn1C ZINC000903923478 663811996 /nfs/dbraw/zinc/81/19/96/663811996.db2.gz VEIIPDSJPRGGOV-SWLSCSKDSA-N 2 0 397.336 2.968 20 0 GFADRP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000905173810 663856618 /nfs/dbraw/zinc/85/66/18/663856618.db2.gz HRRMIBDAWIUARW-OTWHNJEPSA-N 2 0 397.357 2.840 20 0 GFADRP C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000911725732 664254292 /nfs/dbraw/zinc/25/42/92/664254292.db2.gz PFPKGFKDMFRYOC-HUUCEWRRSA-N 2 0 394.357 2.575 20 0 GFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000921686614 664560709 /nfs/dbraw/zinc/56/07/09/664560709.db2.gz WARPDSFJFDXMIE-LBPRGKRZSA-N 2 0 375.380 2.577 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000921705472 664562557 /nfs/dbraw/zinc/56/25/57/664562557.db2.gz VRMHDVZTLQTRFW-GFCCVEGCSA-N 2 0 383.309 2.795 20 0 GFADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923280875 664627363 /nfs/dbraw/zinc/62/73/63/664627363.db2.gz LEXRXBWSJPQGOP-AAEUAGOBSA-N 2 0 377.710 2.513 20 0 GFADRP C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCC([NH3+])CC1 ZINC000923293761 664627697 /nfs/dbraw/zinc/62/76/97/664627697.db2.gz AUXWSUPYGQRVRJ-YMAMQOFZSA-N 2 0 375.282 2.530 20 0 GFADRP COC(=O)c1cc(Br)c(C[N@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000923295350 664627749 /nfs/dbraw/zinc/62/77/49/664627749.db2.gz YGJUWRULQCXKHX-UHFFFAOYSA-N 2 0 385.302 2.946 20 0 GFADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923479462 664631124 /nfs/dbraw/zinc/63/11/24/664631124.db2.gz PKDJMUZCXVZFBI-AAEUAGOBSA-N 2 0 377.710 2.513 20 0 GFADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851903 664676027 /nfs/dbraw/zinc/67/60/27/664676027.db2.gz TUGJSHWNFAOBHU-SWLSCSKDSA-N 2 0 399.304 2.794 20 0 GFADRP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000579767393 677673515 /nfs/dbraw/zinc/67/35/15/677673515.db2.gz FQLIULSIHCTDGI-HNNXBMFYSA-N 2 0 399.377 2.591 20 0 GFADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)nc1 ZINC001164415947 718885587 /nfs/dbraw/zinc/88/55/87/718885587.db2.gz OTVJJMXQHFSDIY-LJQANCHMSA-N 2 0 395.555 2.709 20 0 GFADRP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(OC5CC[NH2+]CC5)nn4)[C@@H]3C2)cc1 ZINC001164629012 719099992 /nfs/dbraw/zinc/09/99/92/719099992.db2.gz PUEHUSXUQKTNHH-TZIWHRDSSA-N 2 0 393.535 2.708 20 0 GFADRP Fc1cccnc1N(c1ccc(C[NH+]2CCCC2)cn1)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164691091 719760762 /nfs/dbraw/zinc/76/07/62/719760762.db2.gz LDXZOHVUUCGYGF-XMSQKQJNSA-N 2 0 397.498 2.871 20 0 GFADRP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2)CC1 ZINC001164725325 720471451 /nfs/dbraw/zinc/47/14/51/720471451.db2.gz JOYIALITIRMLHC-YADHBBJMSA-N 2 0 393.535 2.803 20 0 GFADRP c1ccc(OCC[NH+]2CCN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC2)cc1 ZINC001165045860 721961902 /nfs/dbraw/zinc/96/19/02/721961902.db2.gz CIPGIIIXKJKYEM-UHFFFAOYSA-N 2 0 396.535 2.661 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000120336959 551219580 /nfs/dbraw/zinc/21/95/80/551219580.db2.gz XNPMXEHHBNCPKX-UHFFFAOYSA-N 2 0 378.851 2.899 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000152681864 551437920 /nfs/dbraw/zinc/43/79/20/551437920.db2.gz DPHFXADZFAPWNS-CPUCHLNUSA-N 2 0 382.346 2.887 20 0 GFADRP CN(CC[N@H+](C)CCOc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000180934447 552240724 /nfs/dbraw/zinc/24/07/24/552240724.db2.gz NMARFULGQQSJEZ-UHFFFAOYSA-N 2 0 384.362 2.786 20 0 GFADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000181689289 552265390 /nfs/dbraw/zinc/26/53/90/552265390.db2.gz AOISQGMDLVPFDO-LSDHHAIUSA-N 2 0 384.362 2.992 20 0 GFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188731966 552454162 /nfs/dbraw/zinc/45/41/62/552454162.db2.gz IMBUKVVKUGMSDA-OAHLLOKOSA-N 2 0 382.346 2.717 20 0 GFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000261982327 553164286 /nfs/dbraw/zinc/16/42/86/553164286.db2.gz RLXQBLPEUQIGQZ-AWEZNQCLSA-N 2 0 382.346 2.845 20 0 GFADRP NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000295170210 563232358 /nfs/dbraw/zinc/23/23/58/563232358.db2.gz LJUJVTPIMXDCGQ-LSDHHAIUSA-N 2 0 384.293 2.505 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896351 563349711 /nfs/dbraw/zinc/34/97/11/563349711.db2.gz XVKVQJJLPNZXCF-KYNGSXCRSA-N 2 0 396.373 2.755 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000423096226 563355107 /nfs/dbraw/zinc/35/51/07/563355107.db2.gz OEAZBLBHGUFHID-BBWFWOEESA-N 2 0 399.320 2.725 20 0 GFADRP FC(F)(F)[C@H](C[NH2+][C@H]1CCc2sc(Br)cc21)N1CC[NH2+]CC1 ZINC000423404971 563360500 /nfs/dbraw/zinc/36/05/00/563360500.db2.gz YNTWQLQAFWALPH-JQWIXIFHSA-N 2 0 398.292 2.924 20 0 GFADRP O=S1(=O)CC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2cc(Br)ccc21 ZINC000423484007 563361527 /nfs/dbraw/zinc/36/15/27/563361527.db2.gz QPTYBJXDBJRNJN-UKRRQHHQSA-N 2 0 387.343 2.789 20 0 GFADRP O=S1(=O)CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2cc(Br)ccc21 ZINC000423484006 563361545 /nfs/dbraw/zinc/36/15/45/563361545.db2.gz QPTYBJXDBJRNJN-HIFRSBDPSA-N 2 0 387.343 2.789 20 0 GFADRP CC(C)[N@H+](C)CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425100889 563404185 /nfs/dbraw/zinc/40/41/85/563404185.db2.gz WUQHQIKZAJRTTL-UHFFFAOYSA-N 2 0 385.350 2.726 20 0 GFADRP CCSCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000282678513 563420792 /nfs/dbraw/zinc/42/07/92/563420792.db2.gz JNJCIWQLWLJTHZ-MRXNPFEDSA-N 2 0 387.615 2.710 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Br)cs1 ZINC000333299818 563627156 /nfs/dbraw/zinc/62/71/56/563627156.db2.gz PVEDFHFUGXONAA-ZXIHIIQKSA-N 2 0 386.359 2.808 20 0 GFADRP C[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)C[NH+]1CCCCC1 ZINC000362802365 563709513 /nfs/dbraw/zinc/70/95/13/563709513.db2.gz LOHWWJILOCDCEX-MRXNPFEDSA-N 2 0 385.599 2.613 20 0 GFADRP Cc1ccc(Br)cc1C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000364836097 563765389 /nfs/dbraw/zinc/76/53/89/563765389.db2.gz AGMYUCLWVVNHOR-UHFFFAOYSA-N 2 0 396.373 2.644 20 0 GFADRP Brc1cnc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c(Br)c1 ZINC000368080763 563863433 /nfs/dbraw/zinc/86/34/33/563863433.db2.gz IBJIRUXZSWYIJG-SECBINFHSA-N 2 0 386.091 2.977 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000566229577 564318228 /nfs/dbraw/zinc/31/82/28/564318228.db2.gz HMWHIOQEYAUEEH-AEFFLSMTSA-N 2 0 381.314 2.712 20 0 GFADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000567638507 564381261 /nfs/dbraw/zinc/38/12/61/564381261.db2.gz MBVJTILLEKJXMT-OCCSQVGLSA-N 2 0 378.318 2.988 20 0 GFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1I ZINC000482558321 564545518 /nfs/dbraw/zinc/54/55/18/564545518.db2.gz WJRIPGZJEFWEFI-CYBMUJFWSA-N 2 0 388.293 2.646 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000573234924 564629378 /nfs/dbraw/zinc/62/93/78/564629378.db2.gz VELWWCLQHGOITP-UHFFFAOYSA-N 2 0 394.357 2.951 20 0 GFADRP COCCC[NH+]1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000573477451 564640698 /nfs/dbraw/zinc/64/06/98/564640698.db2.gz GXAXCORDVKKSLF-HNNXBMFYSA-N 2 0 391.339 2.824 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000552088667 564676151 /nfs/dbraw/zinc/67/61/51/564676151.db2.gz OYMTUZTZXVZBNZ-MBNYWOFBSA-N 2 0 394.368 2.590 20 0 GFADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685735 564756960 /nfs/dbraw/zinc/75/69/60/564756960.db2.gz BEYLLRRBRKRASV-QGTPRVQTSA-N 2 0 385.321 2.956 20 0 GFADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000581305293 564797420 /nfs/dbraw/zinc/79/74/20/564797420.db2.gz BQXSBUSHVABHII-GPANFISMSA-N 2 0 389.309 2.790 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(C(F)(F)F)n1 ZINC000493948613 564813873 /nfs/dbraw/zinc/81/38/73/564813873.db2.gz HHJFSBPQNDMLLY-LBPRGKRZSA-N 2 0 378.464 2.650 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000657574258 565109989 /nfs/dbraw/zinc/10/99/89/565109989.db2.gz VDIHKHRDZUVMRV-ZDUSSCGKSA-N 2 0 386.334 2.539 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000638831456 565214575 /nfs/dbraw/zinc/21/45/75/565214575.db2.gz LQCCYIHFRBKJOQ-GJZGRUSLSA-N 2 0 375.460 2.519 20 0 GFADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698234 565382436 /nfs/dbraw/zinc/38/24/36/565382436.db2.gz JWVWXRHINOQBKA-CZUORRHYSA-N 2 0 375.460 2.618 20 0 GFADRP C[C@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642793056 565417390 /nfs/dbraw/zinc/41/73/90/565417390.db2.gz BXRPFJQVWFGWSN-DZGCQCFKSA-N 2 0 385.961 2.730 20 0 GFADRP Brc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)[C@H]2CCCO2)cc1 ZINC000643496343 565433839 /nfs/dbraw/zinc/43/38/39/565433839.db2.gz BAMAJSASGDFOMC-MSOLQXFVSA-N 2 0 382.346 2.554 20 0 GFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)CC1 ZINC000594961315 565438157 /nfs/dbraw/zinc/43/81/57/565438157.db2.gz MURXMPSKNLRVJF-TWKFVSLJSA-N 2 0 383.989 2.871 20 0 GFADRP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000623854110 565532504 /nfs/dbraw/zinc/53/25/04/565532504.db2.gz SOAAWXYHWCWJHG-ZDUSSCGKSA-N 2 0 378.870 2.912 20 0 GFADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000647492295 565661915 /nfs/dbraw/zinc/66/19/15/565661915.db2.gz AGOXWLIPXCGBMI-UHFFFAOYSA-N 2 0 396.251 2.685 20 0 GFADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647799502 565677123 /nfs/dbraw/zinc/67/71/23/565677123.db2.gz IJCZGRIQQVLAAE-DZJNRPSUSA-N 2 0 381.358 2.886 20 0 GFADRP [NH3+]CCCOC1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629514932 565857370 /nfs/dbraw/zinc/85/73/70/565857370.db2.gz WEHZFMFGGFFTNH-QGZVFWFLSA-N 2 0 396.329 2.532 20 0 GFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3c(F)cncc3Br)c2)CC1 ZINC000631230737 565949564 /nfs/dbraw/zinc/94/95/64/565949564.db2.gz URMILXCUMXUTNX-UHFFFAOYSA-N 2 0 380.265 2.742 20 0 GFADRP Cc1cc(Br)cc(C)c1NC(=O)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000679816807 566053655 /nfs/dbraw/zinc/05/36/55/566053655.db2.gz YQWOUYHKZZRDFJ-HUUCEWRRSA-N 2 0 380.330 2.936 20 0 GFADRP [NH3+]C[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(F)(F)F ZINC000655912491 566094990 /nfs/dbraw/zinc/09/49/90/566094990.db2.gz OWPCFWPCGKQHQM-ZIAGYGMSSA-N 2 0 378.826 2.666 20 0 GFADRP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000683695933 566210113 /nfs/dbraw/zinc/21/01/13/566210113.db2.gz VGHFVIHQYDQNKT-GFCCVEGCSA-N 2 0 378.460 2.929 20 0 GFADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000736766537 598314750 /nfs/dbraw/zinc/31/47/50/598314750.db2.gz ARRFNWKNYLDSQL-UHFFFAOYSA-N 2 0 384.459 2.626 20 0 GFADRP Clc1ccc(-c2nn[nH]n2)c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000737571237 599422901 /nfs/dbraw/zinc/42/29/01/599422901.db2.gz XPSPJOBCBONXKC-UHFFFAOYSA-N 2 0 398.902 2.539 20 0 GFADRP O=C([O-])CCC[NH+]1CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000833774083 605223294 /nfs/dbraw/zinc/22/32/94/605223294.db2.gz WXWOPBIRHRNKEJ-UHFFFAOYSA-N 2 0 379.570 2.879 20 0 GFADRP C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000824598553 608280494 /nfs/dbraw/zinc/28/04/94/608280494.db2.gz GESBAAZYAZXEBP-INIZCTEOSA-N 2 0 396.495 2.537 20 0 GFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000826157982 608378238 /nfs/dbraw/zinc/37/82/38/608378238.db2.gz UXIHOPZPYMAHBC-UHFFFAOYSA-N 2 0 390.507 2.576 20 0 GFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824984986 609138526 /nfs/dbraw/zinc/13/85/26/609138526.db2.gz QAHSWCORUOUSAE-QLFBSQMISA-N 2 0 376.480 2.546 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1I ZINC000268885237 654990108 /nfs/dbraw/zinc/99/01/08/654990108.db2.gz NRNIOVLRDHPAJF-ZIAGYGMSSA-N 2 0 387.309 2.578 20 0 GFADRP CSC(C)(C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000269000737 654994830 /nfs/dbraw/zinc/99/48/30/654994830.db2.gz UQGCZRSHKBCYIS-OAHLLOKOSA-N 2 0 387.615 2.709 20 0 GFADRP Cc1cc(Br)ccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000092615859 655014970 /nfs/dbraw/zinc/01/49/70/655014970.db2.gz QROSZEHXLQCACK-UHFFFAOYSA-N 2 0 382.346 2.647 20 0 GFADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000106861649 655112604 /nfs/dbraw/zinc/11/26/04/655112604.db2.gz PPSJYMZJFCIRBO-UHFFFAOYSA-N 2 0 382.346 2.524 20 0 GFADRP O[C@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000751970248 655836876 /nfs/dbraw/zinc/83/68/76/655836876.db2.gz YCQZPHANWQEQHV-LJQANCHMSA-N 2 0 397.357 2.917 20 0 GFADRP NS(=O)(=O)c1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1Cl ZINC000840903021 661204997 /nfs/dbraw/zinc/20/49/97/661204997.db2.gz KJSXKGFTEOWKRX-UHFFFAOYSA-N 2 0 385.961 2.874 20 0 GFADRP Cn1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(Br)n1 ZINC000858189445 662104110 /nfs/dbraw/zinc/10/41/10/662104110.db2.gz RLFPUQFRPAFGDH-UHFFFAOYSA-N 2 0 378.318 2.579 20 0 GFADRP Cc1cc(Br)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000870017246 662671374 /nfs/dbraw/zinc/67/13/74/662671374.db2.gz KBWGGDDTPLGFMG-CHWSQXEVSA-N 2 0 388.375 2.630 20 0 GFADRP Cc1sc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1Br ZINC000870018056 662671453 /nfs/dbraw/zinc/67/14/53/662671453.db2.gz VBPRLLWMUAUHCS-CHWSQXEVSA-N 2 0 388.375 2.630 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)c2csc(-c3cccs3)n2)C[C@H]1C[NH+](C)C ZINC000870024005 662671625 /nfs/dbraw/zinc/67/16/25/662671625.db2.gz GILMLJVQYVWSIR-ZIAGYGMSSA-N 2 0 378.567 2.683 20 0 GFADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000870943746 662710064 /nfs/dbraw/zinc/71/00/64/662710064.db2.gz UPMIYNZPGHVKSV-BPQIPLTHSA-N 2 0 388.309 2.650 20 0 GFADRP C[C@H](C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)N1CC[NH+](C)CC1 ZINC000872034692 662754478 /nfs/dbraw/zinc/75/44/78/662754478.db2.gz QQBOYVZILBNIJD-SUMDDJOVSA-N 2 0 396.373 2.752 20 0 GFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1nc(Cl)ccc1Br ZINC000877040470 662870058 /nfs/dbraw/zinc/87/00/58/662870058.db2.gz DAZSKAFZQUBSMB-GFCCVEGCSA-N 2 0 376.726 2.824 20 0 GFADRP Cc1cc(Br)ccc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000878003497 662887906 /nfs/dbraw/zinc/88/79/06/662887906.db2.gz GAZGDUITMJSVBZ-HUUCEWRRSA-N 2 0 397.361 2.961 20 0 GFADRP Cc1ccc(Br)c(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000879058457 662915075 /nfs/dbraw/zinc/91/50/75/662915075.db2.gz GBLPCADTNDEYTG-HUUCEWRRSA-N 2 0 397.361 2.961 20 0 GFADRP C[C@@]1(Br)C[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000894933029 663489492 /nfs/dbraw/zinc/48/94/92/663489492.db2.gz QASUWABXLHXGJM-PKOBYXMFSA-N 2 0 394.357 2.647 20 0 GFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cn(C)nc2I)CC1 ZINC000895447232 663514769 /nfs/dbraw/zinc/51/47/69/663514769.db2.gz WRDBDKDIPYKIIP-UHFFFAOYSA-N 2 0 390.313 2.625 20 0 GFADRP Brc1cccc(C2([NH2+]C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCOCC2)c1 ZINC000903733573 663805538 /nfs/dbraw/zinc/80/55/38/663805538.db2.gz NXDLXJSWBFBAOW-QZTJIDSGSA-N 2 0 395.341 2.813 20 0 GFADRP COc1ccc(Br)cc1C1([NH2+]C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903764453 663806076 /nfs/dbraw/zinc/80/60/76/663806076.db2.gz RXLWFLHJMWDXMD-WMLDXEAASA-N 2 0 381.314 2.805 20 0 GFADRP Cn1ncc(I)c1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922847005 664616326 /nfs/dbraw/zinc/61/63/26/664616326.db2.gz SWXWFPUMVUTWSV-UHFFFAOYSA-N 2 0 388.297 2.521 20 0 GFADRP [NH3+]CCCOC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923296885 664627778 /nfs/dbraw/zinc/62/77/78/664627778.db2.gz KJPYDSLMJUQUTN-CYBMUJFWSA-N 2 0 377.312 2.563 20 0 GFADRP [NH3+]CCCOC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923299170 664627804 /nfs/dbraw/zinc/62/78/04/664627804.db2.gz YMHMMKLWCGWGAF-CQSZACIVSA-N 2 0 377.312 2.563 20 0 GFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923393826 664629429 /nfs/dbraw/zinc/62/94/29/664629429.db2.gz YQADRDXDAMVZMG-WXHSDQCUSA-N 2 0 377.710 2.654 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc3c(cc1Br)OCCO3)CC2 ZINC000923457409 664630920 /nfs/dbraw/zinc/63/09/20/664630920.db2.gz VZWNIIPYSTXEFL-AWEZNQCLSA-N 2 0 397.313 2.550 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000925118086 664667065 /nfs/dbraw/zinc/66/70/65/664667065.db2.gz RAWIZLUVVHLLTQ-SFHVURJKSA-N 2 0 390.325 2.980 20 0 GFADRP Clc1nc2c(c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n1)CC[NH2+]C2 ZINC001164628643 719062413 /nfs/dbraw/zinc/06/24/13/719062413.db2.gz SZZWFHIJQHDZCB-VQIMIIECSA-N 2 0 383.927 2.877 20 0 GFADRP Fc1cccnc1N(c1ccc(C[NH+]2CCCC2)cn1)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164691090 719760074 /nfs/dbraw/zinc/76/00/74/719760074.db2.gz LDXZOHVUUCGYGF-PGRDOPGGSA-N 2 0 397.498 2.871 20 0 GFADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(C)c(C4C[NH2+]C4)n2)CC3)cs1 ZINC001164700840 719816959 /nfs/dbraw/zinc/81/69/59/719816959.db2.gz MODVSOOYHVYGAC-UHFFFAOYSA-N 2 0 398.580 2.872 20 0 GFADRP Cc1[nH+]c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc2[nH]ccc21 ZINC001164824725 720334251 /nfs/dbraw/zinc/33/42/51/720334251.db2.gz CVLZYMGZQAWSCN-UXHICEINSA-N 2 0 381.524 2.783 20 0 GFADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164721693 720361440 /nfs/dbraw/zinc/36/14/40/720361440.db2.gz DARYETJQVZBVEJ-MOPGFXCFSA-N 2 0 398.942 2.845 20 0 GFADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164840943 720668846 /nfs/dbraw/zinc/66/88/46/720668846.db2.gz OCXIKHMYTOCAIG-NRFANRHFSA-N 2 0 392.547 2.987 20 0 GFADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccc(C3CC[NH2+]CC3)n1)[C@H]2C ZINC001164859696 720981688 /nfs/dbraw/zinc/98/16/88/720981688.db2.gz LKMDWHILAORANI-INIZCTEOSA-N 2 0 383.544 2.562 20 0 GFADRP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cccc(N(C)C)[nH+]3)C2)C1 ZINC001164775953 721337045 /nfs/dbraw/zinc/33/70/45/721337045.db2.gz BBCJCKXOXGTLKI-JOCHJYFZSA-N 2 0 399.539 2.871 20 0 GFADRP C[NH+](C)CCN(C(=O)Nc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000152793771 551440146 /nfs/dbraw/zinc/44/01/46/551440146.db2.gz MKYXZNXWXYJVRS-UHFFFAOYSA-N 2 0 383.334 2.939 20 0 GFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Br)s1 ZINC000168903392 551634890 /nfs/dbraw/zinc/63/48/90/551634890.db2.gz LYNIXXULGAXOTN-CQSZACIVSA-N 2 0 390.391 2.551 20 0 GFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ncc(Br)cc2F)CC1 ZINC000187159568 552408211 /nfs/dbraw/zinc/40/82/11/552408211.db2.gz BOTZFYBXKJDFRY-KGLIPLIRSA-N 2 0 387.341 2.907 20 0 GFADRP C[NH+](C)C[C@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191681258 552534424 /nfs/dbraw/zinc/53/44/24/552534424.db2.gz QPVPCWNUWFPJJU-OAHLLOKOSA-N 2 0 382.346 2.669 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000422770292 563348976 /nfs/dbraw/zinc/34/89/76/563348976.db2.gz VWQXFQVNXFHEED-GFCCVEGCSA-N 2 0 387.293 2.999 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422878850 563349679 /nfs/dbraw/zinc/34/96/79/563349679.db2.gz KVYXPDWEPVPGNK-QGTPRVQTSA-N 2 0 397.357 2.839 20 0 GFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422780337 563350178 /nfs/dbraw/zinc/35/01/78/563350178.db2.gz CYCMEEAJPYBCLU-IAGOWNOFSA-N 2 0 385.599 2.715 20 0 GFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422989549 563352278 /nfs/dbraw/zinc/35/22/78/563352278.db2.gz LRLIHTVJTKGEGF-RHSMWYFYSA-N 2 0 382.346 2.893 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423094716 563354747 /nfs/dbraw/zinc/35/47/47/563354747.db2.gz KPDMETVFBQHAGK-RISCZKNCSA-N 2 0 399.251 2.845 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423116498 563356310 /nfs/dbraw/zinc/35/63/10/563356310.db2.gz QAOFJKVZGOWQRP-PXWWUCIGSA-N 2 0 394.684 2.787 20 0 GFADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Br)c1 ZINC000423394871 563360450 /nfs/dbraw/zinc/36/04/50/563360450.db2.gz SHDQXOOKTYWLLK-SMDDNHRTSA-N 2 0 380.252 2.936 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424386351 563377364 /nfs/dbraw/zinc/37/73/64/563377364.db2.gz XJGBVVSKGGXAEI-FZZIBODNSA-N 2 0 394.684 2.787 20 0 GFADRP O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Br)cc1Cl ZINC000320832296 563447133 /nfs/dbraw/zinc/44/71/33/563447133.db2.gz GEKPLUVTAZLLPC-TXEJJXNPSA-N 2 0 386.721 2.972 20 0 GFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000411765678 563633657 /nfs/dbraw/zinc/63/36/57/563633657.db2.gz FJXVEGWJFOHTMR-GFCCVEGCSA-N 2 0 386.309 2.839 20 0 GFADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412420297 563657259 /nfs/dbraw/zinc/65/72/59/563657259.db2.gz RPANIGAKUNJLKF-SFHVURJKSA-N 2 0 381.611 2.856 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC000289813883 563687119 /nfs/dbraw/zinc/68/71/19/563687119.db2.gz SHKNDLXKKHCKEI-UHFFFAOYSA-N 2 0 392.135 2.758 20 0 GFADRP COCCC[N@@H+]1CCCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000362385563 563706209 /nfs/dbraw/zinc/70/62/09/563706209.db2.gz BRJPOKDXLNJESZ-UHFFFAOYSA-N 2 0 381.318 2.641 20 0 GFADRP C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000439444011 563725520 /nfs/dbraw/zinc/72/55/20/563725520.db2.gz BGSHVEAVEUXADS-CJNGLKHVSA-N 2 0 389.309 2.602 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741671 563751645 /nfs/dbraw/zinc/75/16/45/563751645.db2.gz FMEVWRSVOYKDEA-DZGCQCFKSA-N 2 0 386.323 2.644 20 0 GFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000471188312 564188261 /nfs/dbraw/zinc/18/82/61/564188261.db2.gz PWSWFQBKDPFVPM-UHFFFAOYSA-N 2 0 387.355 2.891 20 0 GFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000564823217 564250513 /nfs/dbraw/zinc/25/05/13/564250513.db2.gz WMVDVPSYQVTPRL-YESZJQIVSA-N 2 0 385.599 2.802 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000568089274 564403946 /nfs/dbraw/zinc/40/39/46/564403946.db2.gz PRMARPJJLKZXQH-MRXNPFEDSA-N 2 0 394.357 2.729 20 0 GFADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)NCCc1cccc(Cl)c1Cl ZINC000514603298 564451087 /nfs/dbraw/zinc/45/10/87/564451087.db2.gz ASOCZCLGLZAKOX-MRXNPFEDSA-N 2 0 384.351 2.974 20 0 GFADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000481061578 564502517 /nfs/dbraw/zinc/50/25/17/564502517.db2.gz PFUQWQHGSDOEHR-FUHWJXTLSA-N 2 0 384.615 2.868 20 0 GFADRP COCCN(C)C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000571295329 564544835 /nfs/dbraw/zinc/54/48/35/564544835.db2.gz VPECISMPTCLBFD-QGZVFWFLSA-N 2 0 385.346 2.747 20 0 GFADRP O=S(=O)(CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000519869745 564593931 /nfs/dbraw/zinc/59/39/31/564593931.db2.gz DZYKZTRTEGXQQL-UHFFFAOYSA-N 2 0 379.913 2.767 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000573760451 564652224 /nfs/dbraw/zinc/65/22/24/564652224.db2.gz RYBSQKOVLWERLF-UHFFFAOYSA-N 2 0 389.974 2.669 20 0 GFADRP CN(CC[N@H+](C)Cc1cc2c(c(Br)c1)OCO2)C1CC[NH+](C)CC1 ZINC000576060296 564705860 /nfs/dbraw/zinc/70/58/60/564705860.db2.gz LFLDWWPTYYFXFJ-UHFFFAOYSA-N 2 0 398.345 2.636 20 0 GFADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCc1cccc(Cl)c1Cl ZINC000580714894 564771280 /nfs/dbraw/zinc/77/12/80/564771280.db2.gz NFDWNJZJSVDECK-HZPDHXFCSA-N 2 0 384.351 2.974 20 0 GFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000562748425 565041379 /nfs/dbraw/zinc/04/13/79/565041379.db2.gz UCQFFIYJTQLJPR-IRWQIABSSA-N 2 0 394.357 2.617 20 0 GFADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466024 565422370 /nfs/dbraw/zinc/42/23/70/565422370.db2.gz NDBNINFGEIDZME-HOCLYGCPSA-N 2 0 382.346 2.711 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000663506925 565424033 /nfs/dbraw/zinc/42/40/33/565424033.db2.gz XUNCNECKQIIYSX-UHFFFAOYSA-N 2 0 386.309 2.668 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595018344 565443043 /nfs/dbraw/zinc/44/30/43/565443043.db2.gz NPWSQWJZVHMZAS-SUMWQHHRSA-N 2 0 399.320 2.504 20 0 GFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000644532053 565480334 /nfs/dbraw/zinc/48/03/34/565480334.db2.gz XCVUKBNMRLYSCH-NVXWUHKLSA-N 2 0 385.346 2.899 20 0 GFADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000623888615 565533888 /nfs/dbraw/zinc/53/38/88/565533888.db2.gz NHLATHLZDJAWRU-GJZGRUSLSA-N 2 0 382.346 2.996 20 0 GFADRP Cc1ccc(F)c(Br)c1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000667161495 565573824 /nfs/dbraw/zinc/57/38/24/565573824.db2.gz JLKWSRYUIDMGRW-UHFFFAOYSA-N 2 0 389.313 2.902 20 0 GFADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)nc12 ZINC000647794222 565676638 /nfs/dbraw/zinc/67/66/38/565676638.db2.gz VHEYYMAMZAWFMX-IIAWOOMASA-N 2 0 377.330 2.925 20 0 GFADRP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1C(F)(F)F ZINC000647795181 565676950 /nfs/dbraw/zinc/67/69/50/565676950.db2.gz JLPCNJAJFZUDAL-MELADBBJSA-N 2 0 376.444 2.587 20 0 GFADRP Brc1ccc(-c2nnc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)[nH]2)cc1 ZINC000647791449 565677265 /nfs/dbraw/zinc/67/72/65/565677265.db2.gz DGSUKXZNMSSYFB-KCQAQPDRSA-N 2 0 376.302 2.712 20 0 GFADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)NCc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629563388 565858796 /nfs/dbraw/zinc/85/87/96/565858796.db2.gz DXUKPQKTJKWZNO-KBPBESRZSA-N 2 0 377.838 2.805 20 0 GFADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)NCc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629563391 565859390 /nfs/dbraw/zinc/85/93/90/565859390.db2.gz DXUKPQKTJKWZNO-ZIAGYGMSSA-N 2 0 377.838 2.805 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000651460480 565864382 /nfs/dbraw/zinc/86/43/82/565864382.db2.gz KLZOVNFMRMFFRS-HOCLYGCPSA-N 2 0 399.373 2.929 20 0 GFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631042597 565935393 /nfs/dbraw/zinc/93/53/93/565935393.db2.gz JSLLZXRBLKBEBF-GJZGRUSLSA-N 2 0 387.977 2.835 20 0 GFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631042593 565935405 /nfs/dbraw/zinc/93/54/05/565935405.db2.gz JSLLZXRBLKBEBF-GASCZTMLSA-N 2 0 387.977 2.835 20 0 GFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000635007654 566188220 /nfs/dbraw/zinc/18/82/20/566188220.db2.gz WXFSZKGNMPXBKJ-UXIGCNINSA-N 2 0 387.343 2.775 20 0 GFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820705033 606914915 /nfs/dbraw/zinc/91/49/15/606914915.db2.gz RQHKVEQICCGNDB-LAUBAEHRSA-N 2 0 398.555 2.877 20 0 GFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824618925 609133578 /nfs/dbraw/zinc/13/35/78/609133578.db2.gz SDDINKUDIVQNRH-CQSZACIVSA-N 2 0 384.459 2.797 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576461 660201241 /nfs/dbraw/zinc/20/12/41/660201241.db2.gz RTSBCUHYSHTJQX-OAHLLOKOSA-N 2 0 387.391 2.974 20 0 GFADRP C[N@@H+]1CCN(CC[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1(C)C ZINC000817584038 660201735 /nfs/dbraw/zinc/20/17/35/660201735.db2.gz QPGCJBJOIBQCOW-AWEZNQCLSA-N 2 0 387.391 2.972 20 0 GFADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2Br)ccn1 ZINC000819197106 660249857 /nfs/dbraw/zinc/24/98/57/660249857.db2.gz XKISCTKVCQVQAT-KRWDZBQOSA-N 2 0 394.313 2.608 20 0 GFADRP C[C@H]1CN(C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000822797814 660354640 /nfs/dbraw/zinc/35/46/40/660354640.db2.gz LWBVTIQZYZUARQ-JVPBZIDWSA-N 2 0 386.367 2.985 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)C[C@H]1C[NH+](C)C ZINC000825148162 660412656 /nfs/dbraw/zinc/41/26/56/660412656.db2.gz VCJXGCZKWBWKPW-GHMZBOCLSA-N 2 0 391.318 2.526 20 0 GFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000037229168 654614659 /nfs/dbraw/zinc/61/46/59/654614659.db2.gz IPESBQUGHGGHKG-CQSZACIVSA-N 2 0 387.309 2.579 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000057718267 654809059 /nfs/dbraw/zinc/80/90/59/654809059.db2.gz QIJJJIQHUKKFLO-UHFFFAOYSA-N 2 0 396.384 2.888 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000177966250 655292824 /nfs/dbraw/zinc/29/28/24/655292824.db2.gz KQHOQUQLBAAKHD-RHSMWYFYSA-N 2 0 382.346 2.888 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000119361807 655300728 /nfs/dbraw/zinc/30/07/28/655300728.db2.gz SODCTSMTCMSWEW-NVXWUHKLSA-N 2 0 387.615 2.641 20 0 GFADRP Cc1c(Br)cccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000575869353 655438914 /nfs/dbraw/zinc/43/89/14/655438914.db2.gz SBOMKPIWJHDPFO-CRAIPNDOSA-N 2 0 394.357 2.838 20 0 GFADRP C[C@@]([NH3+])(C(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(Br)cc1 ZINC000261663732 655441730 /nfs/dbraw/zinc/44/17/30/655441730.db2.gz CFKGCNVNIFASAJ-MJGOQNOKSA-N 2 0 388.309 2.626 20 0 GFADRP CSc1ccc([C@@H](CNC(=S)NCC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000840767705 661185383 /nfs/dbraw/zinc/18/53/83/661185383.db2.gz QQMZPCUPFMMUNJ-GOSISDBHSA-N 2 0 380.627 2.817 20 0 GFADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)cc1 ZINC000775360974 656632452 /nfs/dbraw/zinc/63/24/52/656632452.db2.gz BOWLHNAVEIPHOV-AABGKKOBSA-N 2 0 377.623 2.773 20 0 GFADRP C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)C1CCC([NH3+])CC1 ZINC000843054860 661365553 /nfs/dbraw/zinc/36/55/53/661365553.db2.gz LEDUVIBYWMXPKS-UHFFFAOYSA-N 2 0 382.346 2.987 20 0 GFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCCNC(=O)C(F)(F)F)C2)s1 ZINC000844327324 661415574 /nfs/dbraw/zinc/41/55/74/661415574.db2.gz PSJPAWSAIXLPQP-CQSZACIVSA-N 2 0 377.476 2.879 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccccc1I ZINC000850353921 661771613 /nfs/dbraw/zinc/77/16/13/661771613.db2.gz PVJSBHLPTSMPFG-AWEZNQCLSA-N 2 0 389.325 2.653 20 0 GFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCn1cnc(Br)n1 ZINC000851889485 661843664 /nfs/dbraw/zinc/84/36/64/661843664.db2.gz KVPCAUAWFLHAEU-UHFFFAOYSA-N 2 0 393.333 2.674 20 0 GFADRP COc1ccc(Cl)cc1NC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000865245451 662407531 /nfs/dbraw/zinc/40/75/31/662407531.db2.gz LRTVZDOWBAWNKX-ZIAGYGMSSA-N 2 0 384.977 2.717 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(Br)c2)C[C@H]1C[NH+](C)C ZINC000866041771 662458259 /nfs/dbraw/zinc/45/82/59/662458259.db2.gz YTMOHVQHRUXKIL-ZIAGYGMSSA-N 2 0 383.334 2.652 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)c1cccs1 ZINC000870854656 662703597 /nfs/dbraw/zinc/70/35/97/662703597.db2.gz QYWWEXJCWJUHMA-UKRRQHHQSA-N 2 0 382.327 2.930 20 0 GFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)c1ccc(Br)cc1 ZINC000878287396 662893137 /nfs/dbraw/zinc/89/31/37/662893137.db2.gz AYPGDCVHJSLMPN-BDXSIMOUSA-N 2 0 383.330 2.666 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)c1cccs1 ZINC000884177732 663066512 /nfs/dbraw/zinc/06/65/12/663066512.db2.gz RMBBTCLIIGGJBL-HIFRSBDPSA-N 2 0 382.327 2.930 20 0 GFADRP C[NH+]1CCC(n2cc(NC(=O)[C@H]([NH3+])c3ccc(Br)cc3)cn2)CC1 ZINC000884460953 663070979 /nfs/dbraw/zinc/07/09/79/663070979.db2.gz PPCCNFDTXWWTJS-MRXNPFEDSA-N 2 0 392.301 2.551 20 0 GFADRP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc(SC(F)(F)F)c1 ZINC000886930009 663125169 /nfs/dbraw/zinc/12/51/69/663125169.db2.gz NGIIHEBAYKDPGO-UKRRQHHQSA-N 2 0 377.476 2.557 20 0 GFADRP Cc1[nH+]ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1Br ZINC000892986398 663392052 /nfs/dbraw/zinc/39/20/52/663392052.db2.gz UWLUIBHBXXFEPK-XYPWUTKMSA-N 2 0 379.346 2.900 20 0 GFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)CC1 ZINC000894780170 663481176 /nfs/dbraw/zinc/48/11/76/663481176.db2.gz YPVXSRNXXPOCNM-OAHLLOKOSA-N 2 0 384.977 2.797 20 0 GFADRP Clc1cc(Br)cnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506922 663785958 /nfs/dbraw/zinc/78/59/58/663785958.db2.gz FRFDQAJIWZRBMX-GASCZTMLSA-N 2 0 399.764 2.898 20 0 GFADRP COc1ccc([C@@H](C)[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1Br ZINC000903920354 663811588 /nfs/dbraw/zinc/81/15/88/663811588.db2.gz IMQWSSPWPKMAJL-TZMCWYRMSA-N 2 0 394.317 2.825 20 0 GFADRP Cn1nc(Br)cc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904473366 663835377 /nfs/dbraw/zinc/83/53/77/663835377.db2.gz QEOIDCRQXFMJQT-PBHICJAKSA-N 2 0 377.286 2.528 20 0 GFADRP COc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c(Br)c1OC ZINC000923449199 664630697 /nfs/dbraw/zinc/63/06/97/664630697.db2.gz LLILFPPQWFUKOM-AWEZNQCLSA-N 2 0 399.329 2.796 20 0 GFADRP [NH3+]CCC[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000925710638 664674061 /nfs/dbraw/zinc/67/40/61/664674061.db2.gz XOGHCTKLPULSMQ-MRXNPFEDSA-N 2 0 391.313 2.644 20 0 GFADRP COc1cc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)ccc1S(=O)(=O)C(F)F ZINC000925798630 664675038 /nfs/dbraw/zinc/67/50/38/664675038.db2.gz MAYNKFNVDAMKIB-MBNYWOFBSA-N 2 0 376.469 2.588 20 0 GFADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)c(F)c1 ZINC000925855647 664676216 /nfs/dbraw/zinc/67/62/16/664676216.db2.gz LLEIOYAPPCDFRJ-YPMHNXCESA-N 2 0 385.277 2.924 20 0 GFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000926201707 664684709 /nfs/dbraw/zinc/68/47/09/664684709.db2.gz OLHXZBFTGHBKED-RDTXWAMCSA-N 2 0 381.362 2.837 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431975 664794746 /nfs/dbraw/zinc/79/47/46/664794746.db2.gz RRCGJUGEPZXZEW-HYVNUMGLSA-N 2 0 394.357 2.680 20 0 GFADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)nc1 ZINC001164415935 718885678 /nfs/dbraw/zinc/88/56/78/718885678.db2.gz OTVJJMXQHFSDIY-IBGZPJMESA-N 2 0 395.555 2.709 20 0 GFADRP C[NH+]1CCN(c2cccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164629942 719086354 /nfs/dbraw/zinc/08/63/54/719086354.db2.gz ULTXLFMMDSFHAK-FGZHOGPDSA-N 2 0 391.563 2.934 20 0 GFADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N)c(C)c[nH+]1)CC2 ZINC001164714051 720136389 /nfs/dbraw/zinc/13/63/89/720136389.db2.gz VRDRCLRNKBNZSW-LJQANCHMSA-N 2 0 381.524 2.875 20 0 GFADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N)c(C)c[nH+]1)CC2 ZINC001164714050 720137714 /nfs/dbraw/zinc/13/77/14/720137714.db2.gz VRDRCLRNKBNZSW-IBGZPJMESA-N 2 0 381.524 2.875 20 0 GFADRP c1cc2c[nH+]c(N3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2[nH]1 ZINC001164744920 720815311 /nfs/dbraw/zinc/81/53/11/720815311.db2.gz JSDKMACYTUNGGR-HBFSDRIKSA-N 2 0 377.496 2.534 20 0 GFADRP COC[C@@]12CCCO[C@@H]1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164849846 720828823 /nfs/dbraw/zinc/82/88/23/720828823.db2.gz RFGAEFPNLGLAAD-CTNGQTDRSA-N 2 0 375.513 2.577 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164751077 720832991 /nfs/dbraw/zinc/83/29/91/720832991.db2.gz YIWIQAJMVVTINC-DBXWQHBBSA-N 2 0 391.523 2.842 20 0 GFADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3c1CC[NH2+]C3)[C@@H]2C ZINC001164861618 720993817 /nfs/dbraw/zinc/99/38/17/720993817.db2.gz QAXPNWKFGUGHOW-CQSZACIVSA-N 2 0 388.947 2.999 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000106485441 551199769 /nfs/dbraw/zinc/19/97/69/551199769.db2.gz OEMGDEJIBOVFFO-LBPRGKRZSA-N 2 0 392.288 2.776 20 0 GFADRP C[C@@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000127706394 551343753 /nfs/dbraw/zinc/34/37/53/551343753.db2.gz RYGUEVBKQSDDJT-WMLDXEAASA-N 2 0 382.346 2.888 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000155081023 551490797 /nfs/dbraw/zinc/49/07/97/551490797.db2.gz CFOPWAQUPVDPTI-PBHICJAKSA-N 2 0 382.346 2.888 20 0 GFADRP COc1c(Br)cccc1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000187115743 552407282 /nfs/dbraw/zinc/40/72/82/552407282.db2.gz YGQJFNONKJZRCV-KRWDZBQOSA-N 2 0 384.362 2.819 20 0 GFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ncc(Br)cc2F)CC1 ZINC000187159601 552408148 /nfs/dbraw/zinc/40/81/48/552408148.db2.gz BOTZFYBXKJDFRY-ZIAGYGMSSA-N 2 0 387.341 2.907 20 0 GFADRP C[C@@H]1CSCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000190462987 552497497 /nfs/dbraw/zinc/49/74/97/552497497.db2.gz CCEDFYHMKNFVQA-INIZCTEOSA-N 2 0 379.595 2.859 20 0 GFADRP C(CC[NH+]1CCS[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000246777805 553112734 /nfs/dbraw/zinc/11/27/34/553112734.db2.gz IIFJSZLWZLEWHD-INDMIFKZSA-N 2 0 386.627 2.569 20 0 GFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1Br ZINC000261775759 553159287 /nfs/dbraw/zinc/15/92/87/553159287.db2.gz XKYIOGPPJDUPSV-FUHWJXTLSA-N 2 0 394.357 2.838 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(Br)cs2)CC[NH2+]CC1 ZINC000422904833 563350734 /nfs/dbraw/zinc/35/07/34/563350734.db2.gz YALVRHFHULLJSG-LLVKDONJSA-N 2 0 375.332 2.922 20 0 GFADRP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000295170201 563232420 /nfs/dbraw/zinc/23/24/20/563232420.db2.gz LJUJVTPIMXDCGQ-GJZGRUSLSA-N 2 0 384.293 2.505 20 0 GFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c2ccccc21 ZINC000423100926 563355635 /nfs/dbraw/zinc/35/56/35/563355635.db2.gz NBJGTGJGJWWXHG-SJORKVTESA-N 2 0 379.913 2.743 20 0 GFADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Br)c1 ZINC000423394869 563360200 /nfs/dbraw/zinc/36/02/00/563360200.db2.gz SHDQXOOKTYWLLK-FZMZJTMJSA-N 2 0 380.252 2.936 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCc2c1cccc2Br)N1CC[NH2+]CC1 ZINC000423387005 563360580 /nfs/dbraw/zinc/36/05/80/563360580.db2.gz LVSYKGLWXTUDGJ-HUUCEWRRSA-N 2 0 392.263 2.862 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CCc2ccc(Br)cc21)N1CC[NH2+]CC1 ZINC000423403297 563360670 /nfs/dbraw/zinc/36/06/70/563360670.db2.gz XIIDDSVSHPDGKN-LSDHHAIUSA-N 2 0 392.263 2.862 20 0 GFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423466417 563361216 /nfs/dbraw/zinc/36/12/16/563361216.db2.gz ANTURAINSVJMGU-WDEREUQCSA-N 2 0 380.341 2.824 20 0 GFADRP CC[N@H+](CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)C1CC1 ZINC000425101191 563405047 /nfs/dbraw/zinc/40/50/47/563405047.db2.gz YPEKDJHWTJPDKZ-UHFFFAOYSA-N 2 0 397.361 2.870 20 0 GFADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(OC)cc2Br)CC1 ZINC000285467729 563522321 /nfs/dbraw/zinc/52/23/21/563522321.db2.gz NNECRHDVXYNWRS-UHFFFAOYSA-N 2 0 384.362 2.965 20 0 GFADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000430950753 563550995 /nfs/dbraw/zinc/55/09/95/563550995.db2.gz SCKAKJBJLPSRLX-AWEZNQCLSA-N 2 0 382.346 2.727 20 0 GFADRP CC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1nc(C(F)(F)F)cs1 ZINC000433127385 563604192 /nfs/dbraw/zinc/60/41/92/563604192.db2.gz SHNGXHAQIMCXTR-LBPRGKRZSA-N 2 0 378.464 2.933 20 0 GFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000411715879 563630923 /nfs/dbraw/zinc/63/09/23/563630923.db2.gz DMYIGPKOTABXSO-KRWDZBQOSA-N 2 0 388.339 2.607 20 0 GFADRP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc(I)c1OC ZINC000414929427 563754301 /nfs/dbraw/zinc/75/43/01/563754301.db2.gz RJBQGJMFHBSTDM-RYUDHWBXSA-N 2 0 390.265 2.668 20 0 GFADRP C[C@H](C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Br)c1 ZINC000414971961 563754976 /nfs/dbraw/zinc/75/49/76/563754976.db2.gz JDZJFDCHPSAPDJ-IUODEOHRSA-N 2 0 394.279 2.978 20 0 GFADRP COCC1(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC[NH2+]CC1 ZINC000414977062 563755994 /nfs/dbraw/zinc/75/59/94/563755994.db2.gz QBOUUNJLNHZYFW-UHFFFAOYSA-N 2 0 384.311 2.680 20 0 GFADRP FC(F)(F)[C@H](C[NH2+]Cc1cnc(-c2cccs2)s1)N1CC[NH2+]CC1 ZINC000414989185 563756187 /nfs/dbraw/zinc/75/61/87/563756187.db2.gz QFHRYFTZTKOPQQ-ZDUSSCGKSA-N 2 0 376.473 2.797 20 0 GFADRP C[C@@H](C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1cccc(Br)c1 ZINC000415102694 563759630 /nfs/dbraw/zinc/75/96/30/563759630.db2.gz CQVXYRGAKRXPLF-GUYCJALGSA-N 2 0 378.318 2.940 20 0 GFADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292232176 563779489 /nfs/dbraw/zinc/77/94/89/563779489.db2.gz VXRJWMBTBKMAAC-HNAYVOBHSA-N 2 0 394.357 2.824 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000449604689 564192285 /nfs/dbraw/zinc/19/22/85/564192285.db2.gz XYCMIYLPPJTABC-ULQDDVLXSA-N 2 0 397.357 2.825 20 0 GFADRP CO[C@H](C[NH3+])CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000564935198 564258394 /nfs/dbraw/zinc/25/83/94/564258394.db2.gz QIIWJTFUURBILP-HNNXBMFYSA-N 2 0 388.339 2.782 20 0 GFADRP [NH3+]C[C@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)CC12CCOCC2 ZINC000566245536 564319426 /nfs/dbraw/zinc/31/94/26/564319426.db2.gz UCPKVBGTHYTNLJ-ZDUSSCGKSA-N 2 0 387.293 2.654 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000568521234 564422761 /nfs/dbraw/zinc/42/27/61/564422761.db2.gz UUKZBZDRZSUJKS-CQSZACIVSA-N 2 0 382.346 2.857 20 0 GFADRP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000516570423 564506096 /nfs/dbraw/zinc/50/60/96/564506096.db2.gz QZAUPRJLIZIDKS-STQMWFEESA-N 2 0 387.318 2.915 20 0 GFADRP Brc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(N2CCOCC2)c1 ZINC000572038629 564578958 /nfs/dbraw/zinc/57/89/58/564578958.db2.gz MUPYZMGODVQVJO-IYBDPMFKSA-N 2 0 394.357 2.717 20 0 GFADRP C[C@H](CNCCS(=O)(=O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000519595090 564582714 /nfs/dbraw/zinc/58/27/14/564582714.db2.gz GJQQSCUUJDHWGE-CQSZACIVSA-N 2 0 389.359 2.544 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000572763926 564608890 /nfs/dbraw/zinc/60/88/90/564608890.db2.gz XACZATOVOMITKC-QAPCUYQASA-N 2 0 397.313 2.549 20 0 GFADRP COCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000573477483 564640616 /nfs/dbraw/zinc/64/06/16/564640616.db2.gz GXAXCORDVKKSLF-OAHLLOKOSA-N 2 0 391.339 2.824 20 0 GFADRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@H]2CCC[C@@H]21 ZINC000552226030 564682638 /nfs/dbraw/zinc/68/26/38/564682638.db2.gz USVBXYNWXASQNG-IKGGRYGDSA-N 2 0 380.330 2.641 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(F)c(Br)cc1Cl ZINC000530433697 564881491 /nfs/dbraw/zinc/88/14/91/564881491.db2.gz OAQJQSCBYXNRHH-UHFFFAOYSA-N 2 0 394.716 2.807 20 0 GFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000583644294 564900588 /nfs/dbraw/zinc/90/05/88/564900588.db2.gz XPUZZJMOKWOJJQ-RDJZCZTQSA-N 2 0 380.374 2.922 20 0 GFADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cncc(Br)c3)cn2)CC1 ZINC000466461437 564941260 /nfs/dbraw/zinc/94/12/60/564941260.db2.gz CYTBGQLSRIDUQX-UHFFFAOYSA-N 2 0 390.329 2.671 20 0 GFADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638564897 565203506 /nfs/dbraw/zinc/20/35/06/565203506.db2.gz NQFCPKKRTHXBCV-UHFFFAOYSA-N 2 0 395.345 2.954 20 0 GFADRP C[N@@H+](Cc1ccccc1)C[C@H](O)CNCc1ccc(O)c(Br)c1 ZINC000644601366 565483814 /nfs/dbraw/zinc/48/38/14/565483814.db2.gz HVSIUZWEFRRIIT-MRXNPFEDSA-N 2 0 379.298 2.737 20 0 GFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000650762122 565834142 /nfs/dbraw/zinc/83/41/42/565834142.db2.gz UEARDDMPSHIZRD-SNVBAGLBSA-N 2 0 380.341 2.681 20 0 GFADRP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000651466682 565864570 /nfs/dbraw/zinc/86/45/70/565864570.db2.gz CJZWJKQKZYRYJH-LSDHHAIUSA-N 2 0 399.373 2.929 20 0 GFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631062983 565936988 /nfs/dbraw/zinc/93/69/88/565936988.db2.gz DCTIJCQBODFBKZ-CYBMUJFWSA-N 2 0 389.769 2.861 20 0 GFADRP COc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(F)cc1Br ZINC000631114741 565943375 /nfs/dbraw/zinc/94/33/75/565943375.db2.gz XUHAUDBSPWVYHP-CYBMUJFWSA-N 2 0 388.325 2.712 20 0 GFADRP NC(=O)[C@H]1CCC[N@H+](CCCNCc2oc3ccccc3c2Br)C1 ZINC000655729621 566084771 /nfs/dbraw/zinc/08/47/71/566084771.db2.gz MFIDAOMGFPRWSZ-ZDUSSCGKSA-N 2 0 394.313 2.872 20 0 GFADRP CCC[N@H+](C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655930746 566097131 /nfs/dbraw/zinc/09/71/31/566097131.db2.gz UBARLQKNQWZNEU-KBPBESRZSA-N 2 0 380.842 2.912 20 0 GFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817577217 660201230 /nfs/dbraw/zinc/20/12/30/660201230.db2.gz GDYLWJZIRYTPRF-HNNXBMFYSA-N 2 0 387.391 2.974 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000817891927 660211709 /nfs/dbraw/zinc/21/17/09/660211709.db2.gz QBBLTEXGCAOYCR-LBPRGKRZSA-N 2 0 387.293 2.999 20 0 GFADRP Cc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1Br ZINC000092615609 655014671 /nfs/dbraw/zinc/01/46/71/655014671.db2.gz JSKPFUSXTRLNLB-UHFFFAOYSA-N 2 0 382.346 2.647 20 0 GFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000111240965 655167019 /nfs/dbraw/zinc/16/70/19/655167019.db2.gz WPFVHZHWQFIWST-KRWDZBQOSA-N 2 0 385.346 2.995 20 0 GFADRP c1cc(N2CCN(CCC[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)cc[nH+]1 ZINC000775382563 656635615 /nfs/dbraw/zinc/63/56/15/656635615.db2.gz PJHNPLUKYXPZHA-QRVBRYPASA-N 2 0 378.611 2.563 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023341 662671584 /nfs/dbraw/zinc/67/15/84/662671584.db2.gz UGKUMXIKWBMRMR-HUUCEWRRSA-N 2 0 382.346 2.569 20 0 GFADRP C[NH+](C)CCN(Cc1cccs1)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870902394 662707507 /nfs/dbraw/zinc/70/75/07/662707507.db2.gz RDYUSGWCBNAVFF-UHFFFAOYSA-N 2 0 378.567 2.876 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cc(Cl)cc(Cl)c2)C[C@H]1C[NH+](C)C ZINC000875708754 662850592 /nfs/dbraw/zinc/85/05/92/662850592.db2.gz CBKZZBNMLKLEGB-HUUCEWRRSA-N 2 0 387.355 2.874 20 0 GFADRP Cc1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1Br ZINC000878134241 662890426 /nfs/dbraw/zinc/89/04/26/662890426.db2.gz ATAAXKYNWCTXLR-HUUCEWRRSA-N 2 0 397.361 2.961 20 0 GFADRP C[NH+](C)Cc1cc(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)ccc1F ZINC000884220411 663067235 /nfs/dbraw/zinc/06/72/35/663067235.db2.gz RMQNTZWPPRMGQU-KRWDZBQOSA-N 2 0 394.288 2.966 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000884394650 663070203 /nfs/dbraw/zinc/07/02/03/663070203.db2.gz KMQFBSRUEGWXHD-NVXWUHKLSA-N 2 0 380.330 2.687 20 0 GFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2c(I)cnn2C)C1 ZINC000894181169 663447070 /nfs/dbraw/zinc/44/70/70/663447070.db2.gz WQZNYRAJPIVWSI-CYBMUJFWSA-N 2 0 390.313 2.626 20 0 GFADRP C[C@H]1C[C@H](CC[NH2+]Cc2nc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000894360376 663457536 /nfs/dbraw/zinc/45/75/36/663457536.db2.gz ZXCBCZAMMYSEGZ-HOCLYGCPSA-N 2 0 392.345 2.968 20 0 GFADRP CC(=O)Nc1cc(Br)ccc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000894524064 663467012 /nfs/dbraw/zinc/46/70/12/663467012.db2.gz TXYFCNIUZHVAMT-UHFFFAOYSA-N 2 0 399.377 2.723 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000902488011 663761970 /nfs/dbraw/zinc/76/19/70/663761970.db2.gz WZCWKDBKITVJGB-SAZUREKKSA-N 2 0 380.330 2.689 20 0 GFADRP C[C@@H]1C[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1CC[NH3+] ZINC000903496827 663785774 /nfs/dbraw/zinc/78/57/74/663785774.db2.gz GHZLRPQEFNIARY-TZMCWYRMSA-N 2 0 379.302 2.840 20 0 GFADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cnn1C ZINC000903898216 663810674 /nfs/dbraw/zinc/81/06/74/663810674.db2.gz MLWWIGFGPDKKIY-HNNXBMFYSA-N 2 0 385.339 2.647 20 0 GFADRP C[C@@H](Cc1ccccc1Br)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903921900 663811692 /nfs/dbraw/zinc/81/16/92/663811692.db2.gz SJDDBGRCLPZCIV-ZFWWWQNUSA-N 2 0 378.318 2.686 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc(Br)c3c(c1)OCCO3)CC2 ZINC000904392314 663832338 /nfs/dbraw/zinc/83/23/38/663832338.db2.gz PHRLCSXCQAAAOK-CQSZACIVSA-N 2 0 397.313 2.550 20 0 GFADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc2ccccc2s1 ZINC000907135438 664005680 /nfs/dbraw/zinc/00/56/80/664005680.db2.gz XXQJZJFOBVHIND-UHFFFAOYSA-N 2 0 381.567 2.548 20 0 GFADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000917657014 664488202 /nfs/dbraw/zinc/48/82/02/664488202.db2.gz MPUXNGLTFARKCJ-XNTDXEJSSA-N 2 0 385.961 2.598 20 0 GFADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccnc3Br)C2)[C@@H]1C(C)C ZINC000922392082 664598756 /nfs/dbraw/zinc/59/87/56/664598756.db2.gz CSJZGSXGUKWEAA-CBZIJGRNSA-N 2 0 382.346 2.804 20 0 GFADRP O[C@H](COc1ccc(Cl)cc1Br)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923330702 664628442 /nfs/dbraw/zinc/62/84/42/664628442.db2.gz CKBWTASHIXQQHX-XJKSGUPXSA-N 2 0 389.721 2.528 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCCc2ncc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000924954454 664664485 /nfs/dbraw/zinc/66/44/85/664664485.db2.gz WFYLZXOYYVLZHG-RHSMWYFYSA-N 2 0 381.362 2.695 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Br)CC12CC[NH2+]CC2 ZINC000925859073 664676355 /nfs/dbraw/zinc/67/63/55/664676355.db2.gz VMCOMAFORRNIDD-MLGOLLRUSA-N 2 0 379.298 2.711 20 0 GFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@](C)(CO)c2cccc(Br)c2)CC1 ZINC000934496019 664908839 /nfs/dbraw/zinc/90/88/39/664908839.db2.gz HNTBPVLOEXANRF-IBGZPJMESA-N 2 0 398.389 2.662 20 0 GFADRP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(N3CC[NH2+]CC3)cn2)cc1 ZINC001164631483 719091025 /nfs/dbraw/zinc/09/10/25/719091025.db2.gz YHXGRDLRMSEOGD-UNMCSNQZSA-N 2 0 377.536 2.592 20 0 GFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)cc(C)[nH+]1)C2 ZINC001164809155 720065991 /nfs/dbraw/zinc/06/59/91/720065991.db2.gz ISCLOWJQCZUVSF-SIKLNZKXSA-N 2 0 385.556 2.570 20 0 GFADRP c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164842018 720739849 /nfs/dbraw/zinc/73/98/49/720739849.db2.gz BUDSSDRULAXULU-UHFFFAOYSA-N 2 0 380.540 2.926 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c2)CC1 ZINC001164784299 721434943 /nfs/dbraw/zinc/43/49/43/721434943.db2.gz LAZBAYRWLKWZOX-CALCHBBNSA-N 2 0 399.564 2.579 20 0 GFADRP Cn1ccc2c1cc[nH+]c2N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164804367 721540798 /nfs/dbraw/zinc/54/07/98/721540798.db2.gz JPDUGBLUHGEAMZ-HBMCJLEFSA-N 2 0 377.492 2.837 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCn4cnc(COCC5CC5)c4C3)c2)CC1 ZINC001164798800 721600117 /nfs/dbraw/zinc/60/01/17/721600117.db2.gz GHGOBMPNAPWRAQ-UHFFFAOYSA-N 2 0 397.523 2.698 20 0 GFADRP c1ccc(N(c2ncccc2C[NH+]2CCCC2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)nc1 ZINC001164958154 722051111 /nfs/dbraw/zinc/05/11/11/722051111.db2.gz DBPYJLXLLZNFSI-SYYKKAFVSA-N 2 0 393.535 2.978 20 0 GFADRP c1ccc(N(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)nc1 ZINC001164959723 722051326 /nfs/dbraw/zinc/05/13/26/722051326.db2.gz NKVHENMURBVEMB-TXTKFYIRSA-N 2 0 393.535 2.978 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1cc(Cl)ccc1Br ZINC000129361105 551356327 /nfs/dbraw/zinc/35/63/27/551356327.db2.gz DXLJIZWEWTZSHK-UHFFFAOYSA-N 2 0 390.753 2.597 20 0 GFADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000151865418 551422379 /nfs/dbraw/zinc/42/23/79/551422379.db2.gz FCTZMQAABDJTRO-QGZVFWFLSA-N 2 0 383.330 2.957 20 0 GFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ncc(Br)s1 ZINC000179225457 552187102 /nfs/dbraw/zinc/18/71/02/552187102.db2.gz KMMKHEHALMYBMI-LBPRGKRZSA-N 2 0 375.380 2.830 20 0 GFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000188725656 552453282 /nfs/dbraw/zinc/45/32/82/552453282.db2.gz BWPTWFOHBGVIKG-UHFFFAOYSA-N 2 0 382.346 2.717 20 0 GFADRP C[NH+](C)C[C@@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191681240 552534788 /nfs/dbraw/zinc/53/47/88/552534788.db2.gz QPVPCWNUWFPJJU-HNNXBMFYSA-N 2 0 382.346 2.669 20 0 GFADRP C[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000261681607 553155983 /nfs/dbraw/zinc/15/59/83/553155983.db2.gz GXLBBXJSZZXFIG-RDTXWAMCSA-N 2 0 382.346 2.860 20 0 GFADRP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261899977 553162251 /nfs/dbraw/zinc/16/22/51/553162251.db2.gz OSRGCALGYKZWRO-DOTOQJQBSA-N 2 0 380.330 2.529 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422878848 563349610 /nfs/dbraw/zinc/34/96/10/563349610.db2.gz KVYXPDWEPVPGNK-BMGDILEWSA-N 2 0 397.357 2.839 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422871432 563349847 /nfs/dbraw/zinc/34/98/47/563349847.db2.gz CVWVZETVISOPPF-CHWSQXEVSA-N 2 0 380.842 2.676 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2cccc(Br)c2)CC[NH2+]CC1 ZINC000423161775 563357708 /nfs/dbraw/zinc/35/77/08/563357708.db2.gz JQNRVVRTSZZUMX-AWEZNQCLSA-N 2 0 383.330 2.903 20 0 GFADRP Brc1cccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)C2CCOCC2)c1 ZINC000423177389 563358569 /nfs/dbraw/zinc/35/85/69/563358569.db2.gz DTPFNLQULGBVDD-IBGZPJMESA-N 2 0 396.373 2.802 20 0 GFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423268269 563359395 /nfs/dbraw/zinc/35/93/95/563359395.db2.gz FTFGFLPNOBMHLB-GHMZBOCLSA-N 2 0 380.341 2.681 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(Br)c1 ZINC000423467281 563361095 /nfs/dbraw/zinc/36/10/95/563361095.db2.gz XJXWIYZFHKXIKR-LSKLOWJMSA-N 2 0 398.320 2.886 20 0 GFADRP CC[NH+](CC)CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425095100 563403920 /nfs/dbraw/zinc/40/39/20/563403920.db2.gz AFGSSWVRRGEOAV-UHFFFAOYSA-N 2 0 385.350 2.727 20 0 GFADRP O=S(=O)(c1cccs1)N1CCC([NH2+]C[C@@H]2CCCCN2C2CC2)CC1 ZINC000376470265 563443267 /nfs/dbraw/zinc/44/32/67/563443267.db2.gz AXHARKQFMIYLCL-KRWDZBQOSA-N 2 0 383.583 2.508 20 0 GFADRP O=C(Cc1ccc(Cl)s1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000283715054 563452512 /nfs/dbraw/zinc/45/25/12/563452512.db2.gz XJDJDNNEZQZEIX-UHFFFAOYSA-N 2 0 378.929 2.668 20 0 GFADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431015638 563551532 /nfs/dbraw/zinc/55/15/32/563551532.db2.gz WFQIFOSYIMGINQ-HNNXBMFYSA-N 2 0 394.357 2.872 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000433122834 563603974 /nfs/dbraw/zinc/60/39/74/563603974.db2.gz XELZCUCPXQRUBC-UHFFFAOYSA-N 2 0 394.357 2.800 20 0 GFADRP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000414748283 563751604 /nfs/dbraw/zinc/75/16/04/563751604.db2.gz NRTGTUGEWCNLBM-GJZGRUSLSA-N 2 0 380.330 2.595 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)C1 ZINC000414753346 563751881 /nfs/dbraw/zinc/75/18/81/563751881.db2.gz MAIIGZZKJMSBHZ-SUMWQHHRSA-N 2 0 398.320 2.922 20 0 GFADRP FC(F)(F)c1cc(Br)cc(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000414781844 563752994 /nfs/dbraw/zinc/75/29/94/563752994.db2.gz NRORHNLLOSLUOV-UHFFFAOYSA-N 2 0 380.252 2.853 20 0 GFADRP FC(F)(F)Oc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cc1Br ZINC000414804842 563753396 /nfs/dbraw/zinc/75/33/96/563753396.db2.gz XWOYPXXNFUBTPP-UHFFFAOYSA-N 2 0 396.251 2.733 20 0 GFADRP Fc1cc(Br)ccc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414974300 563755190 /nfs/dbraw/zinc/75/51/90/563755190.db2.gz LGYFBDFDBXOHKZ-CYBMUJFWSA-N 2 0 384.215 2.514 20 0 GFADRP CCS(=O)(=O)CCCCC[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000365278295 563779588 /nfs/dbraw/zinc/77/95/88/563779588.db2.gz KRKKDZXNRDSIDK-QAPCUYQASA-N 2 0 387.615 2.857 20 0 GFADRP Brc1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc2c1OCCCO2 ZINC000368082095 563863097 /nfs/dbraw/zinc/86/30/97/563863097.db2.gz RPWABNHVQDUMPC-GFCCVEGCSA-N 2 0 378.270 2.981 20 0 GFADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1cc(Br)ccc1F ZINC000449600971 564192323 /nfs/dbraw/zinc/19/23/23/564192323.db2.gz QAUGCQZSGCBGEL-RRQGHBQHSA-N 2 0 385.321 2.956 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2cccc(Br)c2)CC1 ZINC000451981295 564375207 /nfs/dbraw/zinc/37/52/07/564375207.db2.gz IZVLMBQFJUFYSF-UHFFFAOYSA-N 2 0 384.362 2.834 20 0 GFADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000567638506 564381543 /nfs/dbraw/zinc/38/15/43/564381543.db2.gz MBVJTILLEKJXMT-JSGCOSHPSA-N 2 0 378.318 2.988 20 0 GFADRP C[NH+]1CCC(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000480209119 564464100 /nfs/dbraw/zinc/46/41/00/564464100.db2.gz LWVWGDFJVMUZMM-HNNXBMFYSA-N 2 0 387.343 2.599 20 0 GFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000572393428 564593565 /nfs/dbraw/zinc/59/35/65/564593565.db2.gz JTDCDEVTUIWHSX-BBRMVZONSA-N 2 0 389.309 2.649 20 0 GFADRP CCC[N@H+](C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)C[C@H]1C ZINC000456362643 564602661 /nfs/dbraw/zinc/60/26/61/564602661.db2.gz DPNSYLMGBLXEAF-CQSZACIVSA-N 2 0 397.361 2.870 20 0 GFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cccc(I)c1 ZINC000580848769 564776141 /nfs/dbraw/zinc/77/61/41/564776141.db2.gz OSZBBGKHORCNIR-UHFFFAOYSA-N 2 0 376.282 2.739 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000529387059 564833104 /nfs/dbraw/zinc/83/31/04/564833104.db2.gz NJPYNPFKLSIQAE-VBQJREDUSA-N 2 0 385.339 2.847 20 0 GFADRP C[C@H]([NH2+]CCn1cc(Br)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000556922195 564846801 /nfs/dbraw/zinc/84/68/01/564846801.db2.gz UPKBOSHEISKWRT-AWEZNQCLSA-N 2 0 381.318 2.937 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000530764804 564894161 /nfs/dbraw/zinc/89/41/61/564894161.db2.gz UHQPKGTURKQXEC-UHFFFAOYSA-N 2 0 383.945 2.607 20 0 GFADRP CN1CC[NH+](CCCC[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000583642819 564900673 /nfs/dbraw/zinc/90/06/73/564900673.db2.gz XBOLXFRMOIEAIO-UHFFFAOYSA-N 2 0 376.289 2.845 20 0 GFADRP CO[C@]1(C[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)CCOC1 ZINC000639174451 565230478 /nfs/dbraw/zinc/23/04/78/565230478.db2.gz BUZVIFGSCDNKFH-INIZCTEOSA-N 2 0 384.274 2.546 20 0 GFADRP Ic1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000592470862 565278874 /nfs/dbraw/zinc/27/88/74/565278874.db2.gz NIDTXTNONBKMNY-GZBFAFLISA-N 2 0 386.277 2.648 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000662590500 565378273 /nfs/dbraw/zinc/37/82/73/565378273.db2.gz AILIPIIBFDSYBE-BEFAXECRSA-N 2 0 394.357 2.861 20 0 GFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000594511685 565397078 /nfs/dbraw/zinc/39/70/78/565397078.db2.gz GTKVGMDCVCPRIE-AOOOYVTPSA-N 2 0 380.220 2.999 20 0 GFADRP C[C@@H](CC[NH+](C)C)Nc1ncnc(N[C@@H](C)CC[NH+](C)C)c1Br ZINC000663453800 565422758 /nfs/dbraw/zinc/42/27/58/565422758.db2.gz WLMFKHMEEBCSNT-STQMWFEESA-N 2 0 387.370 2.743 20 0 GFADRP CC[NH+]1CCC(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000644527423 565480890 /nfs/dbraw/zinc/48/08/90/565480890.db2.gz RNJMAMUHPOVKMN-UHFFFAOYSA-N 2 0 389.359 2.544 20 0 GFADRP Ic1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595885279 565496448 /nfs/dbraw/zinc/49/64/48/565496448.db2.gz LRTHWBGIYBYKDA-CJNGLKHVSA-N 2 0 398.288 2.949 20 0 GFADRP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000649411765 565760247 /nfs/dbraw/zinc/76/02/47/565760247.db2.gz AAQXQAZMBCYHAM-CABCVRRESA-N 2 0 395.345 2.884 20 0 GFADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628969812 565817479 /nfs/dbraw/zinc/81/74/79/565817479.db2.gz ZHDYTBHFLDJAGQ-GUYCJALGSA-N 2 0 388.339 2.681 20 0 GFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(I)s1 ZINC000602549532 565854168 /nfs/dbraw/zinc/85/41/68/565854168.db2.gz DJATWFCZUUKXMB-GFCCVEGCSA-N 2 0 394.322 2.679 20 0 GFADRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821809557 599420732 /nfs/dbraw/zinc/42/07/32/599420732.db2.gz OZQKJKBWBKCFNA-LJQANCHMSA-N 2 0 392.507 2.877 20 0 GFADRP C[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821610787 599592800 /nfs/dbraw/zinc/59/28/00/599592800.db2.gz FHHCHOYZXJPVBH-KRWDZBQOSA-N 2 0 380.471 2.960 20 0 GFADRP C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000820428514 607057272 /nfs/dbraw/zinc/05/72/72/607057272.db2.gz XTMVCWNJIXZYKE-AWEZNQCLSA-N 2 0 384.459 2.797 20 0 GFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000826157601 608378160 /nfs/dbraw/zinc/37/81/60/608378160.db2.gz CLGBHNIWUGNYMC-UHFFFAOYSA-N 2 0 390.507 2.576 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)[C@H](C)C1 ZINC000825593762 608512496 /nfs/dbraw/zinc/51/24/96/608512496.db2.gz DBOTUYDMMXFZRL-CZAAIQMYSA-N 2 0 398.555 2.971 20 0 GFADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](O)c2cccc(Br)c2)ccn1 ZINC000819195880 660249560 /nfs/dbraw/zinc/24/95/60/660249560.db2.gz LZMZRXXDVMFSHY-KRWDZBQOSA-N 2 0 394.313 2.608 20 0 GFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000124962742 654784818 /nfs/dbraw/zinc/78/48/18/654784818.db2.gz NMAUCCIFMBTFIZ-INIZCTEOSA-N 2 0 395.345 2.979 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000057718376 654809132 /nfs/dbraw/zinc/80/91/32/654809132.db2.gz CGQACTIIHGVTJV-UHFFFAOYSA-N 2 0 396.384 2.888 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Br)ccc1F ZINC000132361887 654935400 /nfs/dbraw/zinc/93/54/00/654935400.db2.gz CIKPGOZQSQQQRA-UHFFFAOYSA-N 2 0 375.286 2.545 20 0 GFADRP C[NH+](Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000277329171 655313265 /nfs/dbraw/zinc/31/32/65/655313265.db2.gz CNWAYGMPZXTLHR-QZTJIDSGSA-N 2 0 383.330 2.891 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000261654243 655441610 /nfs/dbraw/zinc/44/16/10/655441610.db2.gz DRLGRSPYOMBLKC-SJLPKXTDSA-N 2 0 380.330 2.710 20 0 GFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Br)ncc2F)CC1 ZINC000762746796 656057493 /nfs/dbraw/zinc/05/74/93/656057493.db2.gz JGRPCEZHCRMCDO-KBPBESRZSA-N 2 0 387.341 2.907 20 0 GFADRP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1SC(F)(F)F ZINC000842475339 661341204 /nfs/dbraw/zinc/34/12/04/661341204.db2.gz PGLWZNOVWYUFDS-AWEZNQCLSA-N 2 0 375.460 2.787 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(Br)cc1 ZINC000849088016 661691607 /nfs/dbraw/zinc/69/16/07/661691607.db2.gz NGGFZPOZNVOQDB-ZFWWWQNUSA-N 2 0 383.334 2.815 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CSc1nc2ccccc2s1 ZINC000855345501 661987171 /nfs/dbraw/zinc/98/71/71/661987171.db2.gz CDHROJDMEOGQDR-AWEZNQCLSA-N 2 0 380.583 2.777 20 0 GFADRP C[Si](C)(CC[NH+]1CCO[C@H](CCF)C1)CC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000859908267 662178660 /nfs/dbraw/zinc/17/86/60/662178660.db2.gz DXDPUAQKSPMAHE-HDICACEKSA-N 2 0 378.580 2.816 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000870950480 662711257 /nfs/dbraw/zinc/71/12/57/662711257.db2.gz GRBJLSNLPJIUCA-DOTOQJQBSA-N 2 0 380.330 2.687 20 0 GFADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870948991 662711276 /nfs/dbraw/zinc/71/12/76/662711276.db2.gz ZLPMAOWULAOVQV-HOTGVXAUSA-N 2 0 380.330 2.686 20 0 GFADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000873260535 662804653 /nfs/dbraw/zinc/80/46/53/662804653.db2.gz CMOWNKZDRCYICE-YFKTTZPYSA-N 2 0 392.352 2.822 20 0 GFADRP C[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC000873268282 662804768 /nfs/dbraw/zinc/80/47/68/662804768.db2.gz BQBOXNWMCYWWCJ-ABAIWWIYSA-N 2 0 387.343 2.645 20 0 GFADRP COCCN(Cc1snc(OC)c1Br)CC1CC[NH+](C)CC1 ZINC000877664533 662881231 /nfs/dbraw/zinc/88/12/31/662881231.db2.gz QMNCWXRCFSWYCI-UHFFFAOYSA-N 2 0 392.363 2.704 20 0 GFADRP COCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000878574045 662899245 /nfs/dbraw/zinc/89/92/45/662899245.db2.gz XQEZNOTUWBRCMR-QGZVFWFLSA-N 2 0 388.339 2.871 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000884294499 663068372 /nfs/dbraw/zinc/06/83/72/663068372.db2.gz CIJWQNXRIBUKAB-VYDXJSESSA-N 2 0 380.330 2.687 20 0 GFADRP COCC[C@@H]([NH3+])C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000884308538 663068644 /nfs/dbraw/zinc/06/86/44/663068644.db2.gz UMDSUPMAJLTWFL-MRXNPFEDSA-N 2 0 376.328 2.638 20 0 GFADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cnc(CC(F)(F)F)s3)CC2)CC1 ZINC000892762829 663383936 /nfs/dbraw/zinc/38/39/36/663383936.db2.gz KITLWHQOWWPZIV-UHFFFAOYSA-N 2 0 376.492 2.896 20 0 GFADRP Brc1cnc2n1C[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000898722171 663660566 /nfs/dbraw/zinc/66/05/66/663660566.db2.gz YZRIBABXVAQSFT-AWEZNQCLSA-N 2 0 376.302 2.614 20 0 GFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000903442402 663784863 /nfs/dbraw/zinc/78/48/63/663784863.db2.gz OOOVRFPDTHXKLR-GZBFAFLISA-N 2 0 381.318 2.622 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H](O)COc1ccc(Cl)cc1Cl)CC2 ZINC000923446089 664630714 /nfs/dbraw/zinc/63/07/14/664630714.db2.gz ZPDMCXFBVVLEPA-CABCVRRESA-N 2 0 389.323 2.563 20 0 GFADRP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923456955 664630902 /nfs/dbraw/zinc/63/09/02/664630902.db2.gz SNFZKZOKDYQDJR-CZUORRHYSA-N 2 0 396.329 2.606 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925566011 664673105 /nfs/dbraw/zinc/67/31/05/664673105.db2.gz BFEYZJFYTOEOGG-JKSUJKDBSA-N 2 0 380.330 2.657 20 0 GFADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1F ZINC000925853744 664676018 /nfs/dbraw/zinc/67/60/18/664676018.db2.gz QXYMFMSLWBBDBO-WCQYABFASA-N 2 0 385.277 2.924 20 0 GFADRP CSC[C@@H]1CCC[N@H+](CC(=O)NC[C@H](C)[NH+]2CCC[C@H](CSC)C2)C1 ZINC000930561067 664773285 /nfs/dbraw/zinc/77/32/85/664773285.db2.gz TZPUVWDAPUUSJY-KSZLIROESA-N 2 0 387.659 2.641 20 0 GFADRP C[NH+]1CCN(c2cccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164629941 719086585 /nfs/dbraw/zinc/08/65/85/719086585.db2.gz ULTXLFMMDSFHAK-FCHUYYIVSA-N 2 0 391.563 2.934 20 0 GFADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(N3CCCC3)cc[nH+]2)CC1 ZINC001164833353 720328843 /nfs/dbraw/zinc/32/88/43/720328843.db2.gz WAPRUZSDPRPKLB-RTWAWAEBSA-N 2 0 397.567 2.593 20 0 GFADRP CC(C)C(=O)N1CCC[C@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001165008775 721727053 /nfs/dbraw/zinc/72/70/53/721727053.db2.gz QJIIFPKCJVLTML-JOCHJYFZSA-N 2 0 386.540 2.782 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982050 722124335 /nfs/dbraw/zinc/12/43/35/722124335.db2.gz VUMFNNHCPNPIFD-CTNGQTDRSA-N 2 0 382.508 2.991 20 0 GFADRP C[C@H](C[NH2+][C@H](C)c1ccc(I)cc1)N1CC[NH+](C)CC1 ZINC000127735848 551343986 /nfs/dbraw/zinc/34/39/86/551343986.db2.gz KPGBBJKYYJAYOJ-ZIAGYGMSSA-N 2 0 387.309 2.578 20 0 GFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Br)cc1 ZINC000150942429 551404419 /nfs/dbraw/zinc/40/44/19/551404419.db2.gz YOKPJVWOKSMYSG-LJQANCHMSA-N 2 0 398.389 2.880 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000162515491 551609224 /nfs/dbraw/zinc/60/92/24/551609224.db2.gz OVCBQPYDSXMVCC-KRWDZBQOSA-N 2 0 382.346 2.890 20 0 GFADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000177878876 552160563 /nfs/dbraw/zinc/16/05/63/552160563.db2.gz INMCIMVVEHEIFD-QGZVFWFLSA-N 2 0 383.330 2.957 20 0 GFADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ncc(Br)s2)CC1 ZINC000179203930 552186620 /nfs/dbraw/zinc/18/66/20/552186620.db2.gz VRBZFMMNFZCGPY-CYBMUJFWSA-N 2 0 375.380 2.974 20 0 GFADRP CCC[NH+]1CCC(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261825940 553160470 /nfs/dbraw/zinc/16/04/70/553160470.db2.gz SZTABHBLBQTMMH-GOSISDBHSA-N 2 0 382.346 2.861 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccc(Br)cc1 ZINC000261935951 553163026 /nfs/dbraw/zinc/16/30/26/553163026.db2.gz CLKXEHOAVFXHFD-GOSISDBHSA-N 2 0 380.330 2.614 20 0 GFADRP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000418597962 563220929 /nfs/dbraw/zinc/22/09/29/563220929.db2.gz IDTIYPGFTIVMSK-WMLDXEAASA-N 2 0 397.361 2.663 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418589146 563220985 /nfs/dbraw/zinc/22/09/85/563220985.db2.gz SKNATSCXIJYDJN-IAGOWNOFSA-N 2 0 397.361 2.792 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422789675 563350155 /nfs/dbraw/zinc/35/01/55/563350155.db2.gz BKVHAJXOMVAFRG-XFKAJCMBSA-N 2 0 383.330 2.963 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000423106392 563355618 /nfs/dbraw/zinc/35/56/18/563355618.db2.gz ZTIWWNRJOZCABD-WFBYXXMGSA-N 2 0 394.684 2.787 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423154269 563356941 /nfs/dbraw/zinc/35/69/41/563356941.db2.gz JEKLYEUOVXPAHX-ZQIUZPCESA-N 2 0 385.346 2.586 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1Br ZINC000423471890 563361416 /nfs/dbraw/zinc/36/14/16/563361416.db2.gz ZVWVUDAYBFOOFZ-XZOAIXRZSA-N 2 0 380.330 2.747 20 0 GFADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(Br)cc1F)CC[NH2+]CC2 ZINC000424297552 563376026 /nfs/dbraw/zinc/37/60/26/563376026.db2.gz SXCTWORADKZRNC-GFCCVEGCSA-N 2 0 384.293 2.991 20 0 GFADRP CC[C@H](CO)[NH+]1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)CC1 ZINC000425226340 563413565 /nfs/dbraw/zinc/41/35/65/563413565.db2.gz HQQMTBVLMZWWHJ-CYBMUJFWSA-N 2 0 394.313 2.899 20 0 GFADRP Ic1cccc(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427099637 563460074 /nfs/dbraw/zinc/46/00/74/563460074.db2.gz IJNOOZGUVCDMHW-CJNGLKHVSA-N 2 0 386.277 2.744 20 0 GFADRP O=C([C@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1)N1CC[NH2+]CC1 ZINC000430604801 563546780 /nfs/dbraw/zinc/54/67/80/563546780.db2.gz RIUYEPFNFVXTSF-AWEZNQCLSA-N 2 0 386.323 2.516 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414693811 563750429 /nfs/dbraw/zinc/75/04/29/563750429.db2.gz NCBYLDGHCRYWLL-GUYCJALGSA-N 2 0 386.323 2.564 20 0 GFADRP Fc1ccc(Br)cc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414971409 563755411 /nfs/dbraw/zinc/75/54/11/563755411.db2.gz IMSBJVCNPFIUHV-ZDUSSCGKSA-N 2 0 384.215 2.514 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]CC2(c3cccc(Br)c3)CCC2)C1 ZINC000415084376 563758522 /nfs/dbraw/zinc/75/85/22/563758522.db2.gz RCIKYNUUDYOICU-OAHLLOKOSA-N 2 0 394.357 2.658 20 0 GFADRP CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000415086847 563758645 /nfs/dbraw/zinc/75/86/45/563758645.db2.gz VDOFVEVIYMDYIA-OAHLLOKOSA-N 2 0 382.346 2.557 20 0 GFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000367244958 563837819 /nfs/dbraw/zinc/83/78/19/563837819.db2.gz URGDHXJIPHCFJR-FCLVOEFKSA-N 2 0 397.357 2.962 20 0 GFADRP COc1ccc(Br)cc1CN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000367623995 563850667 /nfs/dbraw/zinc/85/06/67/563850667.db2.gz SOLADSYASWANIB-INIZCTEOSA-N 2 0 396.373 2.917 20 0 GFADRP CC(=O)N1CCN(CCNc2ccnc3cc(F)c(Br)cc32)CC1 ZINC000450256066 564224145 /nfs/dbraw/zinc/22/41/45/564224145.db2.gz FETFQINCWGYHTG-UHFFFAOYSA-N 2 0 395.276 2.712 20 0 GFADRP CN(C)[C@@]1(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCSC1 ZINC000539977575 564234258 /nfs/dbraw/zinc/23/42/58/564234258.db2.gz LIBKQYWHPARXDC-LJQANCHMSA-N 2 0 383.005 2.619 20 0 GFADRP Ic1cccc(OCCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000564973708 564260666 /nfs/dbraw/zinc/26/06/66/564260666.db2.gz YBIKUDBOCAOTTK-INIZCTEOSA-N 2 0 386.277 2.746 20 0 GFADRP C[C@](O)(C[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000567345299 564367923 /nfs/dbraw/zinc/36/79/23/564367923.db2.gz CDPUVXWTHBIQBC-INIZCTEOSA-N 2 0 379.854 2.755 20 0 GFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000567652890 564381660 /nfs/dbraw/zinc/38/16/60/564381660.db2.gz GWYKCGYZDXUXAF-FIQHERPVSA-N 2 0 392.352 2.680 20 0 GFADRP COCCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000514668237 564453766 /nfs/dbraw/zinc/45/37/66/564453766.db2.gz BBZIPHWJFSIJDY-UHFFFAOYSA-N 2 0 398.345 2.868 20 0 GFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232110 564454382 /nfs/dbraw/zinc/45/43/82/564454382.db2.gz JYELKKIIMJZPIL-ZBFHGGJFSA-N 2 0 391.339 2.824 20 0 GFADRP C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000519597214 564583429 /nfs/dbraw/zinc/58/34/29/564583429.db2.gz QISSHUQGDJDLTB-WBMJQRKESA-N 2 0 387.293 2.568 20 0 GFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000572665064 564604402 /nfs/dbraw/zinc/60/44/02/564604402.db2.gz DBYBLNGZGGBTKD-QGZVFWFLSA-N 2 0 380.374 2.924 20 0 GFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000552089558 564676079 /nfs/dbraw/zinc/67/60/79/564676079.db2.gz NMUSBVCVLYBRCN-GXTWGEPZSA-N 2 0 394.368 2.592 20 0 GFADRP Oc1cccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000459422073 564744168 /nfs/dbraw/zinc/74/41/68/564744168.db2.gz CTGHUNOMGSLMFV-LJQANCHMSA-N 2 0 391.309 2.881 20 0 GFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cccc(I)c1 ZINC000579621033 564749387 /nfs/dbraw/zinc/74/93/87/564749387.db2.gz OICCYXDZZVDHSW-INIZCTEOSA-N 2 0 388.293 2.618 20 0 GFADRP CC1CC[NH+](CCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000580438950 564758193 /nfs/dbraw/zinc/75/81/93/564758193.db2.gz KDYGNJLJCCJMOK-GOSISDBHSA-N 2 0 382.346 2.861 20 0 GFADRP C[C@@H]1C[N@H+](CCOc2ccc(Br)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490699923 564780431 /nfs/dbraw/zinc/78/04/31/564780431.db2.gz OMWHIOVQYYGIMW-APWZRJJASA-N 2 0 396.373 2.786 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(C(F)(F)F)n1 ZINC000493948611 564813758 /nfs/dbraw/zinc/81/37/58/564813758.db2.gz HHJFSBPQNDMLLY-GFCCVEGCSA-N 2 0 378.464 2.650 20 0 GFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000556260479 564816063 /nfs/dbraw/zinc/81/60/63/564816063.db2.gz PMFBARNISIXBGO-CVEARBPZSA-N 2 0 384.362 2.957 20 0 GFADRP Brc1ccc(C2([NH2+]C[C@H]3CCC4(C[NH2+]C4)O3)CCOCC2)cc1 ZINC000662258460 565358036 /nfs/dbraw/zinc/35/80/36/565358036.db2.gz JBMKVRLEJDOZKP-MRXNPFEDSA-N 2 0 381.314 2.565 20 0 GFADRP C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CC[NH+](C)CC1 ZINC000644562891 565481866 /nfs/dbraw/zinc/48/18/66/565481866.db2.gz GILFZUQYRPIQGW-LRDDRELGSA-N 2 0 389.309 2.648 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ncc(Br)s2)CC1 ZINC000665287706 565496115 /nfs/dbraw/zinc/49/61/15/565496115.db2.gz RWAHSFGASKHVII-LLVKDONJSA-N 2 0 389.363 2.547 20 0 GFADRP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000623888540 565534141 /nfs/dbraw/zinc/53/41/41/565534141.db2.gz KEUWGNFTHKLYEQ-STQMWFEESA-N 2 0 378.870 2.910 20 0 GFADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000645745638 565557897 /nfs/dbraw/zinc/55/78/97/565557897.db2.gz FHRGKEMSGRCKMH-OAHLLOKOSA-N 2 0 388.339 2.652 20 0 GFADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(Br)cc1C(F)(F)F ZINC000647492325 565661502 /nfs/dbraw/zinc/66/15/02/565661502.db2.gz CAPQGKYVXUCGKL-UHFFFAOYSA-N 2 0 380.252 2.805 20 0 GFADRP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000647799923 565677295 /nfs/dbraw/zinc/67/72/95/565677295.db2.gz UIKDXLNCGZHJIS-YHUYYLMFSA-N 2 0 385.321 2.717 20 0 GFADRP Cc1cc(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ncc1Br ZINC000600120304 565715616 /nfs/dbraw/zinc/71/56/16/565715616.db2.gz JLCPEBKIJZQWDU-KRWDZBQOSA-N 2 0 381.362 2.753 20 0 GFADRP C[C@@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C[NH2+]1 ZINC000627196810 565726219 /nfs/dbraw/zinc/72/62/19/565726219.db2.gz VUSFLTSOLBEFRS-RHSMWYFYSA-N 2 0 397.361 2.663 20 0 GFADRP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000649411768 565761054 /nfs/dbraw/zinc/76/10/54/565761054.db2.gz AAQXQAZMBCYHAM-LSDHHAIUSA-N 2 0 395.345 2.884 20 0 GFADRP [NH3+]C[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(F)(F)F ZINC000655912490 566095114 /nfs/dbraw/zinc/09/51/14/566095114.db2.gz OWPCFWPCGKQHQM-UONOGXRCSA-N 2 0 378.826 2.666 20 0 GFADRP COc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826194249 607484426 /nfs/dbraw/zinc/48/44/26/607484426.db2.gz GRSIIPCTRLVTRO-UHFFFAOYSA-N 2 0 384.528 2.963 20 0 GFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000821189606 606211584 /nfs/dbraw/zinc/21/15/84/606211584.db2.gz QBTKLHRLRZQRAO-UHFFFAOYSA-N 2 0 386.525 2.939 20 0 GFADRP c1sc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1-c1nn[nH]n1 ZINC000826521736 608136005 /nfs/dbraw/zinc/13/60/05/608136005.db2.gz XATKJRQNQINBET-ZYSHUDEJSA-N 2 0 380.521 2.928 20 0 GFADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2nc(Br)cs2)CC1 ZINC000834508237 660822763 /nfs/dbraw/zinc/82/27/63/660822763.db2.gz JLDSBFBIABTKMP-CYBMUJFWSA-N 2 0 375.380 2.974 20 0 GFADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)ccc1S(=O)(=O)C(F)F ZINC000126299064 654812374 /nfs/dbraw/zinc/81/23/74/654812374.db2.gz VZONHCBLEXMTFA-GFCCVEGCSA-N 2 0 376.469 2.684 20 0 GFADRP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1Br ZINC000127944276 654837914 /nfs/dbraw/zinc/83/79/14/654837914.db2.gz JNOOPSDXIIMSOR-ZFWWWQNUSA-N 2 0 398.345 2.696 20 0 GFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1I ZINC000268885233 654990128 /nfs/dbraw/zinc/99/01/28/654990128.db2.gz NRNIOVLRDHPAJF-UONOGXRCSA-N 2 0 387.309 2.578 20 0 GFADRP C#CCOc1ccc(Br)cc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000119629336 655309067 /nfs/dbraw/zinc/30/90/67/655309067.db2.gz SGKUIUCPDPRFCZ-UHFFFAOYSA-N 2 0 394.357 2.578 20 0 GFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3c4ccc(Br)cc4oc3=O)C2)CC1 ZINC000755780988 655888945 /nfs/dbraw/zinc/88/89/45/655888945.db2.gz RHXAFCWVKIWCGD-CQSZACIVSA-N 2 0 394.313 2.978 20 0 GFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccccc2I)CC1 ZINC000760703043 655989972 /nfs/dbraw/zinc/98/99/72/655989972.db2.gz NGEUTUUVFOMEQD-UHFFFAOYSA-N 2 0 388.293 2.616 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1nc2ccccn2c1Br ZINC000809727619 659937388 /nfs/dbraw/zinc/93/73/88/659937388.db2.gz PXHKIAKEZSOZIH-UHFFFAOYSA-N 2 0 396.377 2.802 20 0 GFADRP O=S1(=O)CCC(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000877012541 662869557 /nfs/dbraw/zinc/86/95/57/662869557.db2.gz WPNVVLZOVHYQLQ-UHFFFAOYSA-N 2 0 384.973 2.966 20 0 GFADRP C[NH+]1CCC2(CCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)CC2)CC1 ZINC000877193261 662872166 /nfs/dbraw/zinc/87/21/66/662872166.db2.gz YPHGCHVPCJPZMI-MRXNPFEDSA-N 2 0 380.330 2.783 20 0 GFADRP Cc1ccc(Br)cc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000878301795 662893447 /nfs/dbraw/zinc/89/34/47/662893447.db2.gz BZDKKZSJGAOCER-HUUCEWRRSA-N 2 0 397.361 2.961 20 0 GFADRP COCC[N@H+](C[C@@H](O)c1ccccc1Br)CC1CC[NH+](C)CC1 ZINC000879126217 662917909 /nfs/dbraw/zinc/91/79/09/662917909.db2.gz VRPUMPRNLUQILU-GOSISDBHSA-N 2 0 385.346 2.773 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000884190094 663066923 /nfs/dbraw/zinc/06/69/23/663066923.db2.gz VPSCMIBTELJGAI-KRWDZBQOSA-N 2 0 380.330 2.783 20 0 GFADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884346021 663069415 /nfs/dbraw/zinc/06/94/15/663069415.db2.gz WPTNIRCDCQPWCR-JKSUJKDBSA-N 2 0 380.330 2.686 20 0 GFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C)nc2I)C1 ZINC000894179840 663447089 /nfs/dbraw/zinc/44/70/89/663447089.db2.gz HHCDEKMFVHVGJK-ZDUSSCGKSA-N 2 0 390.313 2.626 20 0 GFADRP COc1ccc(C[C@@H](CO)C[NH2+]CC2CC[NH+](C)CC2)cc1Br ZINC000894751755 663479574 /nfs/dbraw/zinc/47/95/74/663479574.db2.gz YSLVDSUIOUWGHM-MRXNPFEDSA-N 2 0 385.346 2.540 20 0 GFADRP COc1ccc(Br)cc1C1([NH2+]C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903764454 663806088 /nfs/dbraw/zinc/80/60/88/663806088.db2.gz RXLWFLHJMWDXMD-YOEHRIQHSA-N 2 0 381.314 2.805 20 0 GFADRP COc1ccc([C@H](C)[NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1Br ZINC000903919523 663811687 /nfs/dbraw/zinc/81/16/87/663811687.db2.gz DJZRCBVQTZXUSY-JSGCOSHPSA-N 2 0 395.345 2.968 20 0 GFADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956431 663813619 /nfs/dbraw/zinc/81/36/19/663813619.db2.gz LOLHVPNMGPLRGF-RYUDHWBXSA-N 2 0 375.847 2.900 20 0 GFADRP C[C@@H]([NH2+]C1CCN(CC[NH3+])CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000904369303 663831808 /nfs/dbraw/zinc/83/18/08/663831808.db2.gz SIGGMSYLRMSVTL-GFCCVEGCSA-N 2 0 394.317 2.573 20 0 GFADRP [NH3+]CCOc1cccc(NC(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)c1 ZINC000911761211 664255740 /nfs/dbraw/zinc/25/57/40/664255740.db2.gz MQGHNSLXAFCAKY-HNNXBMFYSA-N 2 0 392.297 2.685 20 0 GFADRP Cc1c(Br)cncc1C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922388431 664598049 /nfs/dbraw/zinc/59/80/49/664598049.db2.gz DWJFCTIHMXREBG-TVFCKZIOSA-N 2 0 382.346 2.722 20 0 GFADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(O)c1Br)C2 ZINC000922387840 664598215 /nfs/dbraw/zinc/59/82/15/664598215.db2.gz BHPRWQMJYPDEIK-MOIQIXESSA-N 2 0 383.330 2.724 20 0 GFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923368440 664628966 /nfs/dbraw/zinc/62/89/66/664628966.db2.gz CNDFPUAUGUUDGV-SWLSCSKDSA-N 2 0 391.737 2.820 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc3c(c(Br)c1)OCO3)CC2 ZINC000923448295 664630717 /nfs/dbraw/zinc/63/07/17/664630717.db2.gz BFFGZOIQAIPNBS-CYBMUJFWSA-N 2 0 383.286 2.508 20 0 GFADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999495 664664979 /nfs/dbraw/zinc/66/49/79/664664979.db2.gz JDFLXSADWZPBQP-RHSMWYFYSA-N 2 0 394.357 2.790 20 0 GFADRP COc1cc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)ccc1S(=O)(=O)C(F)F ZINC000925798631 664675048 /nfs/dbraw/zinc/67/50/48/664675048.db2.gz MAYNKFNVDAMKIB-YRGRVCCFSA-N 2 0 376.469 2.588 20 0 GFADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(F)c(I)c1 ZINC000925817368 664675241 /nfs/dbraw/zinc/67/52/41/664675241.db2.gz QRYQFMJDRYSCHM-NSHDSACASA-N 2 0 391.272 2.504 20 0 GFADRP COCCC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000925810492 664675274 /nfs/dbraw/zinc/67/52/74/664675274.db2.gz AESZALBLDYKIAC-GOSISDBHSA-N 2 0 384.362 2.930 20 0 GFADRP Clc1nc2c(c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n1)C[NH2+]CC2 ZINC001164626188 719052825 /nfs/dbraw/zinc/05/28/25/719052825.db2.gz QYBNYAMTTRZHQI-LPHOPBHVSA-N 2 0 383.927 2.877 20 0 GFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164820205 720155118 /nfs/dbraw/zinc/15/51/18/720155118.db2.gz ZSYSUMONQMSZJF-HRAATJIYSA-N 2 0 390.959 2.565 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164739959 720833524 /nfs/dbraw/zinc/83/35/24/720833524.db2.gz BDJBYPGOEBAVOB-QKNQBKEWSA-N 2 0 396.539 2.840 20 0 GFADRP Cc1cc2ccccc2c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)[nH+]1 ZINC001164875389 721278884 /nfs/dbraw/zinc/27/88/84/721278884.db2.gz VZGMCKOFEPKKNP-UHFFFAOYSA-N 2 0 396.535 2.550 20 0 GFADRP Cc1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1C1C[NH2+]C1 ZINC001164795205 721504762 /nfs/dbraw/zinc/50/47/62/721504762.db2.gz HDBCTTUOYGVGEQ-UHFFFAOYSA-N 2 0 392.551 2.748 20 0 GFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCC3)cc[nH+]2)[C@@H]2CCCO[C@@H]12 ZINC001164798220 721567620 /nfs/dbraw/zinc/56/76/20/721567620.db2.gz AZUFHDNORWZSFY-MQSCRBSSSA-N 2 0 393.535 2.945 20 0 GFADRP C[N@H+](Cc1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)nc1)C1CC1 ZINC001164958022 722051340 /nfs/dbraw/zinc/05/13/40/722051340.db2.gz AKWVNUUWJHTXMA-XQFWAAQXSA-N 2 0 393.535 2.976 20 0 GFADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000151826600 551421878 /nfs/dbraw/zinc/42/18/78/551421878.db2.gz CQOVGYYUZMFFLL-QGZVFWFLSA-N 2 0 383.330 2.957 20 0 GFADRP C[C@@H](Cc1ccccc1Br)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000152612964 551436525 /nfs/dbraw/zinc/43/65/25/551436525.db2.gz WYUNTRKZTYKPEL-HNNXBMFYSA-N 2 0 399.377 2.515 20 0 GFADRP C[C@]([NH3+])(C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccc(Br)cc1 ZINC000261852911 553161061 /nfs/dbraw/zinc/16/10/61/553161061.db2.gz QQSMNJKANOWNDI-GOSISDBHSA-N 2 0 390.281 2.744 20 0 GFADRP Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422700825 563348193 /nfs/dbraw/zinc/34/81/93/563348193.db2.gz ASXYXWXRFIUYCN-BURFUSLBSA-N 2 0 394.357 2.775 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422906257 563350544 /nfs/dbraw/zinc/35/05/44/563350544.db2.gz JJXHYDUSLIEGEX-DYVFJYSZSA-N 2 0 398.345 2.698 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422906256 563350890 /nfs/dbraw/zinc/35/08/90/563350890.db2.gz JJXHYDUSLIEGEX-CXAGYDPISA-N 2 0 398.345 2.698 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(F)ccc2Br)CC[NH2+]CC1 ZINC000422945765 563351379 /nfs/dbraw/zinc/35/13/79/563351379.db2.gz NUHFEAMQNIKIHD-GFCCVEGCSA-N 2 0 387.293 2.999 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422945707 563351572 /nfs/dbraw/zinc/35/15/72/563351572.db2.gz NNFNHSVJEMFGDD-USJZOSNVSA-N 2 0 382.346 2.617 20 0 GFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422991885 563352503 /nfs/dbraw/zinc/35/25/03/563352503.db2.gz QIHASEZGGOKKOR-PBHICJAKSA-N 2 0 382.346 2.763 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(Br)cc2OC)CC[NH2+]CC1 ZINC000423061757 563354043 /nfs/dbraw/zinc/35/40/43/563354043.db2.gz LLYQORQSIUOXDQ-CYBMUJFWSA-N 2 0 399.329 2.869 20 0 GFADRP COc1ccc(C[C@@H](CO)C[NH2+]C2CCC(C[NH3+])CC2)cc1Br ZINC000423153515 563356717 /nfs/dbraw/zinc/35/67/17/563356717.db2.gz HMGWGVGJPBQZHX-OGVSOVDVSA-N 2 0 385.346 2.716 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1Br ZINC000423161993 563357754 /nfs/dbraw/zinc/35/77/54/563357754.db2.gz ONMHRKCPVJMTKV-JLJPHGGASA-N 2 0 385.346 2.586 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)cc1F ZINC000423448220 563361012 /nfs/dbraw/zinc/36/10/12/563361012.db2.gz DWKWMXZZPGOWFA-ONUMYQOESA-N 2 0 398.320 2.886 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424373985 563377100 /nfs/dbraw/zinc/37/71/00/563377100.db2.gz ILJBQGWKXKCNCJ-CYBMUJFWSA-N 2 0 382.673 2.788 20 0 GFADRP COc1cc2[nH+]ccc(NCC3CC[NH+](CCO)CC3)c2cc1Br ZINC000425225731 563412487 /nfs/dbraw/zinc/41/24/87/563412487.db2.gz MSBQLGRXCPIFOW-UHFFFAOYSA-N 2 0 394.313 2.544 20 0 GFADRP COc1cc2[nH+]ccc(N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)c2cc1Br ZINC000425265442 563415506 /nfs/dbraw/zinc/41/55/06/563415506.db2.gz DPYOYGNRVBVIMZ-OLZOCXBDSA-N 2 0 394.313 2.897 20 0 GFADRP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1Br ZINC000378266773 563500663 /nfs/dbraw/zinc/50/06/63/563500663.db2.gz BQUDGYBDCRWLCS-OAHLLOKOSA-N 2 0 380.330 2.656 20 0 GFADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430581047 563545735 /nfs/dbraw/zinc/54/57/35/563545735.db2.gz NMTJXHLKDKOSTJ-UHFFFAOYSA-N 2 0 388.339 2.782 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000431223940 563557030 /nfs/dbraw/zinc/55/70/30/563557030.db2.gz UOXGXKCCTJWQNX-UHFFFAOYSA-N 2 0 393.956 2.514 20 0 GFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000363787096 563733351 /nfs/dbraw/zinc/73/33/51/563733351.db2.gz VYBMRDIQNSWENN-INIZCTEOSA-N 2 0 385.599 2.611 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000414673671 563749288 /nfs/dbraw/zinc/74/92/88/563749288.db2.gz JEYBQTYFFMRHQT-YOEHRIQHSA-N 2 0 380.330 2.783 20 0 GFADRP CC[C@@H](Cc1ccccc1Br)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414743973 563752004 /nfs/dbraw/zinc/75/20/04/563752004.db2.gz NUNAJORTWBHELR-WBVHZDCISA-N 2 0 396.373 2.899 20 0 GFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC[NH2+]1 ZINC000414743354 563752079 /nfs/dbraw/zinc/75/20/79/563752079.db2.gz IQSJTOUBJJXBKJ-QLFBSQMISA-N 2 0 395.345 2.883 20 0 GFADRP Brc1cccc(-c2nc(C[NH2+]CCN3CC[NH2+]CC3)cs2)c1 ZINC000414866137 563753747 /nfs/dbraw/zinc/75/37/47/563753747.db2.gz MFHHFQGFYYTVTC-UHFFFAOYSA-N 2 0 381.343 2.567 20 0 GFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000414996868 563757207 /nfs/dbraw/zinc/75/72/07/563757207.db2.gz GUPZMIKAEOIVHL-YOEHRIQHSA-N 2 0 382.346 2.893 20 0 GFADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C[NH+](C)[C@H]3CCSC3)C2)s1 ZINC000563266340 564183346 /nfs/dbraw/zinc/18/33/46/564183346.db2.gz NBUFXFWEKKCYNI-SJORKVTESA-N 2 0 381.611 2.774 20 0 GFADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1cc(Br)ccc1F ZINC000449600972 564191962 /nfs/dbraw/zinc/19/19/62/564191962.db2.gz QAUGCQZSGCBGEL-XKQJLSEDSA-N 2 0 385.321 2.956 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000449751943 564199831 /nfs/dbraw/zinc/19/98/31/564199831.db2.gz LWTCXUGSDJMFPV-UHFFFAOYSA-N 2 0 398.345 2.684 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511045888 564354561 /nfs/dbraw/zinc/35/45/61/564354561.db2.gz JCLYSOFSTXUKTN-XJKCOSOUSA-N 2 0 388.293 2.988 20 0 GFADRP C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1Br)CN1CC[NH+](C)CC1 ZINC000568926874 564440803 /nfs/dbraw/zinc/44/08/03/564440803.db2.gz APAWBKUPLBQSTA-CABCVRRESA-N 2 0 386.353 2.992 20 0 GFADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]CCOCC[NH+](C)C ZINC000479459127 564440834 /nfs/dbraw/zinc/44/08/34/564440834.db2.gz ZRLHKWYTCXQWFN-AWEZNQCLSA-N 2 0 390.309 2.780 20 0 GFADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)NCCc1cccc(Cl)c1Cl ZINC000514603295 564450718 /nfs/dbraw/zinc/45/07/18/564450718.db2.gz ASOCZCLGLZAKOX-INIZCTEOSA-N 2 0 384.351 2.974 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000453384950 564456381 /nfs/dbraw/zinc/45/63/81/564456381.db2.gz UJOPCSWSNDIAND-QRTARXTBSA-N 2 0 385.346 2.539 20 0 GFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480208012 564464136 /nfs/dbraw/zinc/46/41/36/564464136.db2.gz HBSAYNLHJHTKQP-CQSZACIVSA-N 2 0 375.332 2.599 20 0 GFADRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@@H]2CCC[C@H]21 ZINC000552226044 564682690 /nfs/dbraw/zinc/68/26/90/564682690.db2.gz USVBXYNWXASQNG-YESZJQIVSA-N 2 0 380.330 2.641 20 0 GFADRP C[C@@H]1C[N@H+](CCOc2cccc(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490983269 564784336 /nfs/dbraw/zinc/78/43/36/564784336.db2.gz BTXZGERAXIQFHY-APWZRJJASA-N 2 0 396.373 2.786 20 0 GFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581484243 564804634 /nfs/dbraw/zinc/80/46/34/564804634.db2.gz YSNNJXJJVIMYJA-XJKSGUPXSA-N 2 0 389.309 2.649 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000529387057 564833439 /nfs/dbraw/zinc/83/34/39/564833439.db2.gz NJPYNPFKLSIQAE-KEYYUXOJSA-N 2 0 385.339 2.847 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535157206 565006570 /nfs/dbraw/zinc/00/65/70/565006570.db2.gz UVLBVNJKGWLPNH-INIZCTEOSA-N 2 0 391.940 2.516 20 0 GFADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000470012551 565035870 /nfs/dbraw/zinc/03/58/70/565035870.db2.gz IZAVHZFATNKUQE-CQSZACIVSA-N 2 0 378.929 2.750 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)NCc1nccn1CC(F)(F)F)c1ccsc1 ZINC000590156779 565178325 /nfs/dbraw/zinc/17/83/25/565178325.db2.gz AAQBCMWESMMNHQ-GFCCVEGCSA-N 2 0 375.420 2.609 20 0 GFADRP C[C@H]1CC[N@H+](Cc2cnn3cc(Br)cnc23)C[C@H]1n1ccnc1 ZINC000638172049 565187892 /nfs/dbraw/zinc/18/78/92/565187892.db2.gz NHONFOWVBOIZMV-SWLSCSKDSA-N 2 0 375.274 2.771 20 0 GFADRP CN1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638413017 565195568 /nfs/dbraw/zinc/19/55/68/565195568.db2.gz VYTFNMKQCGIVOU-IPMKNSEASA-N 2 0 396.373 2.631 20 0 GFADRP Brc1cccc(C2([NH2+]C[C@@H]3CCC4(C[NH2+]C4)O3)CCOCC2)c1 ZINC000662259039 565357713 /nfs/dbraw/zinc/35/77/13/565357713.db2.gz OUZWPRBLHYYFAS-INIZCTEOSA-N 2 0 381.314 2.565 20 0 GFADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466022 565422654 /nfs/dbraw/zinc/42/26/54/565422654.db2.gz NDBNINFGEIDZME-GDBMZVCRSA-N 2 0 382.346 2.711 20 0 GFADRP O=S1(=O)CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cc(Br)ccc21 ZINC000643549146 565435418 /nfs/dbraw/zinc/43/54/18/565435418.db2.gz JARPTPFRVAYERX-GMZLATJGSA-N 2 0 399.354 2.645 20 0 GFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)CC1 ZINC000594961314 565438942 /nfs/dbraw/zinc/43/89/42/565438942.db2.gz MURXMPSKNLRVJF-RKPUJPDHSA-N 2 0 383.989 2.871 20 0 GFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000644533248 565480885 /nfs/dbraw/zinc/48/08/85/565480885.db2.gz JLDSAOICTWYIBD-QGZVFWFLSA-N 2 0 385.346 2.900 20 0 GFADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(c3ccc(Cl)cc3Cl)CCC2)CC1 ZINC000644612746 565485490 /nfs/dbraw/zinc/48/54/90/565485490.db2.gz LDRSNBGMISUOIF-MRXNPFEDSA-N 2 0 386.367 2.613 20 0 GFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(Br)c(F)c3F)C2)CC1 ZINC000623415896 565509539 /nfs/dbraw/zinc/50/95/39/565509539.db2.gz BMSOYKVKGSYFIZ-CYBMUJFWSA-N 2 0 388.300 2.985 20 0 GFADRP Cc1c(F)c(Br)ccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000667503069 565590224 /nfs/dbraw/zinc/59/02/24/565590224.db2.gz YWKJDZOHFKGKKM-UHFFFAOYSA-N 2 0 389.313 2.854 20 0 GFADRP C[NH+](C)CC1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625088540 565597239 /nfs/dbraw/zinc/59/72/39/565597239.db2.gz SNQYELBPICIOCD-KRWDZBQOSA-N 2 0 380.330 2.976 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cncc(Br)c1C ZINC000667811581 565606471 /nfs/dbraw/zinc/60/64/71/565606471.db2.gz PPWQBBULDSDRTR-HNNXBMFYSA-N 2 0 397.361 2.641 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc(Br)c1C ZINC000667811582 565606747 /nfs/dbraw/zinc/60/67/47/565606747.db2.gz PPWQBBULDSDRTR-OAHLLOKOSA-N 2 0 397.361 2.641 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789790 565675997 /nfs/dbraw/zinc/67/59/97/565675997.db2.gz LKPDWBIWSFILCP-USXIJHARSA-N 2 0 394.357 2.775 20 0 GFADRP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1c1cccc(Br)c1 ZINC000647795256 565677066 /nfs/dbraw/zinc/67/70/66/565677066.db2.gz MNASOFVIOHPPPB-IARIHHJXSA-N 2 0 378.314 2.532 20 0 GFADRP COc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1O ZINC000650707364 565833151 /nfs/dbraw/zinc/83/31/51/565833151.db2.gz DQHRPTAXRZFISI-QEORTHHSSA-N 2 0 399.329 2.882 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631041741 565935474 /nfs/dbraw/zinc/93/54/74/565935474.db2.gz SCOFGWPFHVJSFB-UHFFFAOYSA-N 2 0 375.742 2.615 20 0 GFADRP COc1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(F)cc1Br ZINC000631114742 565943389 /nfs/dbraw/zinc/94/33/89/565943389.db2.gz XUHAUDBSPWVYHP-ZDUSSCGKSA-N 2 0 388.325 2.712 20 0 GFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000635003376 566188731 /nfs/dbraw/zinc/18/87/31/566188731.db2.gz CPLVXRWNDSGJQP-GMTAPVOTSA-N 2 0 380.341 2.809 20 0 GFADRP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821808328 599428880 /nfs/dbraw/zinc/42/88/80/599428880.db2.gz DLPTVRHUMXFKIA-LJQANCHMSA-N 2 0 392.507 2.530 20 0 GFADRP C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000824612214 608284282 /nfs/dbraw/zinc/28/42/82/608284282.db2.gz KVCBXTBQNRFTKH-AWEZNQCLSA-N 2 0 384.459 2.797 20 0 GFADRP Brc1ccc(OCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051957636 654731096 /nfs/dbraw/zinc/73/10/96/654731096.db2.gz ZMIZTRMLIFCZSV-UHFFFAOYSA-N 2 0 383.330 2.872 20 0 GFADRP Cc1sc(Br)nc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000277341179 655313832 /nfs/dbraw/zinc/31/38/32/655313832.db2.gz DOENBCYIBSIDLG-UHFFFAOYSA-N 2 0 391.379 2.560 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418338631 655405614 /nfs/dbraw/zinc/40/56/14/655405614.db2.gz LLHUCPKWRVVIOJ-HNNXBMFYSA-N 2 0 397.361 2.522 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(Br)cc1 ZINC000261928691 655442921 /nfs/dbraw/zinc/44/29/21/655442921.db2.gz ZSDKNZWJEIMLCP-FUHWJXTLSA-N 2 0 380.330 2.614 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(Br)o1 ZINC000750735585 655816677 /nfs/dbraw/zinc/81/66/77/655816677.db2.gz YXLYKOIWSDKMGE-WWRUEGTHSA-N 2 0 398.345 2.930 20 0 GFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2occc2Br)CC1 ZINC000751148285 655822115 /nfs/dbraw/zinc/82/21/15/655822115.db2.gz QPXSNPGTPCABBJ-UHFFFAOYSA-N 2 0 386.334 2.758 20 0 GFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000751997981 655838238 /nfs/dbraw/zinc/83/82/38/655838238.db2.gz KFXXJIYDOOANIT-MAUKXSAKSA-N 2 0 385.346 2.915 20 0 GFADRP C[NH+]1CCC(CNC(=S)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000760476108 655982140 /nfs/dbraw/zinc/98/21/40/655982140.db2.gz JUFVJXGBOILTBN-UHFFFAOYSA-N 2 0 380.627 2.766 20 0 GFADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c2ccccc2)CC1 ZINC000775378879 656633579 /nfs/dbraw/zinc/63/35/79/656633579.db2.gz CWWZBYMRMUOJIR-WCIQWLHISA-N 2 0 377.623 2.944 20 0 GFADRP c1cc(N2CCN(CCC[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)cc[nH+]1 ZINC000775382565 656635461 /nfs/dbraw/zinc/63/54/61/656635461.db2.gz PJHNPLUKYXPZHA-QYZOEREBSA-N 2 0 378.611 2.563 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000845411219 661469509 /nfs/dbraw/zinc/46/95/09/661469509.db2.gz QEIVMLBYVMCTAD-KBAYOESNSA-N 2 0 376.948 2.749 20 0 GFADRP Cn1nc(Br)cc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850362356 661771758 /nfs/dbraw/zinc/77/17/58/661771758.db2.gz LSRHZLZWNVLFAL-UHFFFAOYSA-N 2 0 378.318 2.579 20 0 GFADRP Cc1cc(Br)ccc1CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855345443 661987144 /nfs/dbraw/zinc/98/71/44/661987144.db2.gz ALZSKECKAGWKEN-HNNXBMFYSA-N 2 0 384.362 2.688 20 0 GFADRP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000863543358 662335958 /nfs/dbraw/zinc/33/59/58/662335958.db2.gz YPTRTFTXNBMXDL-INIZCTEOSA-N 2 0 378.314 2.778 20 0 GFADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000863548298 662336160 /nfs/dbraw/zinc/33/61/60/662336160.db2.gz PBRMGZAQCOGDGU-SJORKVTESA-N 2 0 381.929 2.689 20 0 GFADRP C[C@@H](c1ccccc1Br)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549561 662336325 /nfs/dbraw/zinc/33/63/25/662336325.db2.gz FZTVGGDVELZDML-VUCTXSBTSA-N 2 0 394.313 2.767 20 0 GFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)(c2ccccc2)CC1 ZINC000865774701 662442655 /nfs/dbraw/zinc/44/26/55/662442655.db2.gz LCLHVRNFCSMOIM-UHFFFAOYSA-N 2 0 378.563 2.905 20 0 GFADRP Cc1cc(Br)cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000879285606 662922473 /nfs/dbraw/zinc/92/24/73/662922473.db2.gz VOKMOIKPRJITMW-HUUCEWRRSA-N 2 0 397.361 2.961 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000884224584 663067260 /nfs/dbraw/zinc/06/72/60/663067260.db2.gz SPFWEIJQCBJICK-IRXDYDNUSA-N 2 0 380.330 2.926 20 0 GFADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)COc1ccccc1Br ZINC000903125682 663775100 /nfs/dbraw/zinc/77/51/00/663775100.db2.gz NPOSVCVPVGKHSV-CVGRLMLNSA-N 2 0 395.341 2.936 20 0 GFADRP Brc1cccc(C2([NH2+]C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCOCC2)c1 ZINC000903733572 663805495 /nfs/dbraw/zinc/80/54/95/663805495.db2.gz NXDLXJSWBFBAOW-MSOLQXFVSA-N 2 0 395.341 2.813 20 0 GFADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc2ccccc2Br)cnn1C ZINC000903920423 663811668 /nfs/dbraw/zinc/81/16/68/663811668.db2.gz JHRPOYANUYJGIF-ZFWWWQNUSA-N 2 0 379.346 2.829 20 0 GFADRP CCn1c(Br)c(Br)nc1C[NH2+][C@@H](C)Cn1ccnc1 ZINC000921526435 664552157 /nfs/dbraw/zinc/55/21/57/664552157.db2.gz DMHYQMSOLWYOJO-VIFPVBQESA-N 2 0 391.111 2.803 20 0 GFADRP CCn1c(Br)c(Br)nc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000921688960 664560734 /nfs/dbraw/zinc/56/07/34/664560734.db2.gz MUWAMFWDTNYWOS-UHFFFAOYSA-N 2 0 394.155 2.859 20 0 GFADRP O[C@H](C[NH+]1CCC(C[NH2+]Cc2nc(Br)c[nH]2)CC1)c1ccccc1 ZINC000921699161 664561733 /nfs/dbraw/zinc/56/17/33/664561733.db2.gz GPOWSNPMNDKNMD-MRXNPFEDSA-N 2 0 393.329 2.707 20 0 GFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923288473 664627434 /nfs/dbraw/zinc/62/74/34/664627434.db2.gz KEOKWXQLVJLAMI-SCRDCRAPSA-N 2 0 391.737 2.901 20 0 GFADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)Nc1ccc(Br)cn1 ZINC000923324532 664628275 /nfs/dbraw/zinc/62/82/75/664628275.db2.gz XITLVVUONXACOO-LQDVMPOASA-N 2 0 381.318 2.635 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923361282 664628882 /nfs/dbraw/zinc/62/88/82/664628882.db2.gz HXDSGZRGGGBBFG-XKQJLSEDSA-N 2 0 389.323 2.561 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc3c(cc1Br)OCO3)CC2 ZINC000923444249 664630596 /nfs/dbraw/zinc/63/05/96/664630596.db2.gz VOVWQQZERTYUQK-ZDUSSCGKSA-N 2 0 383.286 2.508 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCC(=O)Nc1ccc(Br)cc1)CC2 ZINC000923450581 664630766 /nfs/dbraw/zinc/63/07/66/664630766.db2.gz WEEMYMBEHMMKCI-INIZCTEOSA-N 2 0 396.329 2.608 20 0 GFADRP Fc1cccnc1N(c1ncccc1C[NH+]1CCCC1)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164691047 719760693 /nfs/dbraw/zinc/76/06/93/719760693.db2.gz KOCUJSTWWIRJMF-AVRDEDQJSA-N 2 0 397.498 2.871 20 0 GFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)cc(C)[nH+]1)C2 ZINC001164809153 720066761 /nfs/dbraw/zinc/06/67/61/720066761.db2.gz ISCLOWJQCZUVSF-KNQAVFIVSA-N 2 0 385.556 2.570 20 0 GFADRP c1cc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2[nH]1 ZINC001164744918 720815305 /nfs/dbraw/zinc/81/53/05/720815305.db2.gz JSDKMACYTUNGGR-CMKODMSKSA-N 2 0 377.496 2.534 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)[nH+]1 ZINC001164889512 721417576 /nfs/dbraw/zinc/41/75/76/721417576.db2.gz RIFPLFJKBSJFFH-GCJKJVERSA-N 2 0 383.540 2.637 20 0 GFADRP CC(C)C(=O)N1CC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]21 ZINC001164893753 721467285 /nfs/dbraw/zinc/46/72/85/721467285.db2.gz UQRZICDPHRRRBB-PXNSSMCTSA-N 2 0 386.540 2.638 20 0 GFADRP Cn1ccc2c1cc[nH+]c2N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164804371 721541050 /nfs/dbraw/zinc/54/10/50/721541050.db2.gz JPDUGBLUHGEAMZ-NJDAHSKKSA-N 2 0 377.492 2.837 20 0 GFADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5c(n4)CC[NH2+]C5)CC3)C2)cc1 ZINC001164941016 721922170 /nfs/dbraw/zinc/92/21/70/721922170.db2.gz YTVFQAJJJUURRE-UHFFFAOYSA-N 2 0 392.547 2.907 20 0 GFADRP COc1cc(Br)ccc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000185894388 552373346 /nfs/dbraw/zinc/37/33/46/552373346.db2.gz DZPXABFPGPDUCF-UHFFFAOYSA-N 2 0 384.362 2.963 20 0 GFADRP C[C@@]([NH3+])(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Br)cc1 ZINC000261761057 553158538 /nfs/dbraw/zinc/15/85/38/553158538.db2.gz NMFUMXDIGGIBTB-QAPCUYQASA-N 2 0 380.330 2.756 20 0 GFADRP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261972602 553163630 /nfs/dbraw/zinc/16/36/30/553163630.db2.gz ZFIMLKAUTZBPNZ-WBVHZDCISA-N 2 0 380.330 2.529 20 0 GFADRP CC1CC[NH+]([C@@H](CNC(=O)c2csc(CC[NH3+])n2)c2cccs2)CC1 ZINC000262314414 553169162 /nfs/dbraw/zinc/16/91/62/553169162.db2.gz BBLHWVSTSBYKTQ-HNNXBMFYSA-N 2 0 378.567 2.909 20 0 GFADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418569274 563220309 /nfs/dbraw/zinc/22/03/09/563220309.db2.gz HVAPTMZNZOKBLE-RHSMWYFYSA-N 2 0 397.361 2.520 20 0 GFADRP C[C@H]1CN(Cc2cc(O)ccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370697766 563252558 /nfs/dbraw/zinc/25/25/58/563252558.db2.gz MHKAHRGGHVYDRY-KBXCAEBGSA-N 2 0 382.346 2.613 20 0 GFADRP Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422700746 563348151 /nfs/dbraw/zinc/34/81/51/563348151.db2.gz ANABCTZMIQJLIO-WZGPROSRSA-N 2 0 394.357 2.775 20 0 GFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000422770396 563349210 /nfs/dbraw/zinc/34/92/10/563349210.db2.gz WMMKGIOWCASHSQ-WFASDCNBSA-N 2 0 389.359 2.718 20 0 GFADRP COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc(Br)c1OC ZINC000422948239 563351482 /nfs/dbraw/zinc/35/14/82/563351482.db2.gz RNXGAGKUWSQOEJ-FVQBIDKESA-N 2 0 399.329 2.713 20 0 GFADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)COc1ccccc1Br ZINC000422937672 563351880 /nfs/dbraw/zinc/35/18/80/563351880.db2.gz JSHMEXKQXDUYGV-YQFWSFKMSA-N 2 0 383.330 2.699 20 0 GFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423388606 563360656 /nfs/dbraw/zinc/36/06/56/563360656.db2.gz MZHOWUNGKDZDQO-ZBFHGGJFSA-N 2 0 375.460 2.658 20 0 GFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423541282 563362220 /nfs/dbraw/zinc/36/22/20/563362220.db2.gz RUHRSQMHRCGQLN-SNVBAGLBSA-N 2 0 378.325 2.601 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[NH+](CC(C)(C)O)CC3)c2cc1Br ZINC000425220707 563412894 /nfs/dbraw/zinc/41/28/94/563412894.db2.gz FEYMKUPILXKLLN-UHFFFAOYSA-N 2 0 394.313 2.899 20 0 GFADRP C[C@@H](Cc1ccccc1Br)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433137854 563604217 /nfs/dbraw/zinc/60/42/17/563604217.db2.gz VHPHMLPLPVFLPB-AWEZNQCLSA-N 2 0 382.346 2.700 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000414673670 563749344 /nfs/dbraw/zinc/74/93/44/563749344.db2.gz JEYBQTYFFMRHQT-WMLDXEAASA-N 2 0 380.330 2.783 20 0 GFADRP COc1cc(Cl)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000414995182 563756134 /nfs/dbraw/zinc/75/61/34/563756134.db2.gz WBCJVXHWNJUSQX-QAPCUYQASA-N 2 0 386.323 2.738 20 0 GFADRP COCC1(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC[NH2+]CC1 ZINC000414975915 563756352 /nfs/dbraw/zinc/75/63/52/563756352.db2.gz OSVNHOCZNBLSIQ-CQSZACIVSA-N 2 0 398.345 2.772 20 0 GFADRP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415049702 563757891 /nfs/dbraw/zinc/75/78/91/563757891.db2.gz XWPSVPHFGQCXOE-DZGCQCFKSA-N 2 0 399.329 2.916 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292232170 563779367 /nfs/dbraw/zinc/77/93/67/563779367.db2.gz VXRJWMBTBKMAAC-BEFAXECRSA-N 2 0 394.357 2.824 20 0 GFADRP CC1CC[NH+](CCC[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000366265299 563803265 /nfs/dbraw/zinc/80/32/65/563803265.db2.gz FKQLFSRLYKVIEB-UHFFFAOYSA-N 2 0 385.599 2.613 20 0 GFADRP OCC[NH+]1CCC(C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449119720 563907130 /nfs/dbraw/zinc/90/71/30/563907130.db2.gz ARDUJSJCGYHQJI-UHFFFAOYSA-N 2 0 378.314 2.791 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Br)cc2OC)CC1 ZINC000449744406 564199837 /nfs/dbraw/zinc/19/98/37/564199837.db2.gz GXBYNMHDTYCRLR-UHFFFAOYSA-N 2 0 384.362 2.963 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000472671307 564230292 /nfs/dbraw/zinc/23/02/92/564230292.db2.gz PKILWHYKMQUDAV-UHFFFAOYSA-N 2 0 393.956 2.514 20 0 GFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000564411750 564232341 /nfs/dbraw/zinc/23/23/41/564232341.db2.gz YSXGMRJJPOIKMX-UHFFFAOYSA-N 2 0 378.318 2.851 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cscc1Br ZINC000509072827 564281067 /nfs/dbraw/zinc/28/10/67/564281067.db2.gz WNZGEUUGYLIYGC-CYBMUJFWSA-N 2 0 388.375 2.999 20 0 GFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000479295874 564435518 /nfs/dbraw/zinc/43/55/18/564435518.db2.gz XUGGWEGEPSCDKG-GDBMZVCRSA-N 2 0 382.346 2.557 20 0 GFADRP C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1Br)CN1CC[NH+](C)CC1 ZINC000568926875 564440579 /nfs/dbraw/zinc/44/05/79/564440579.db2.gz APAWBKUPLBQSTA-GJZGRUSLSA-N 2 0 386.353 2.992 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000453387120 564455771 /nfs/dbraw/zinc/45/57/71/564455771.db2.gz WBTCXEXDUNJOIN-VNQPRFMTSA-N 2 0 385.346 2.681 20 0 GFADRP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000516570421 564505778 /nfs/dbraw/zinc/50/57/78/564505778.db2.gz QZAUPRJLIZIDKS-OLZOCXBDSA-N 2 0 387.318 2.915 20 0 GFADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000486066110 564637410 /nfs/dbraw/zinc/63/74/10/564637410.db2.gz UMRSVJGTJKPCCO-RHSMWYFYSA-N 2 0 382.346 2.537 20 0 GFADRP Cc1cc(Br)ccc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000552064666 564675382 /nfs/dbraw/zinc/67/53/82/564675382.db2.gz GIJJGFVIAKPXIX-UHFFFAOYSA-N 2 0 382.346 2.839 20 0 GFADRP CCN(CC(=O)NC1CC[NH+](CC)CC1)Cc1cccc(Br)c1 ZINC000575347844 564696963 /nfs/dbraw/zinc/69/69/63/564696963.db2.gz GFSKGWZJNCNHPT-UHFFFAOYSA-N 2 0 382.346 2.872 20 0 GFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cccc(I)c1 ZINC000579621034 564748923 /nfs/dbraw/zinc/74/89/23/564748923.db2.gz OICCYXDZZVDHSW-MRXNPFEDSA-N 2 0 388.293 2.618 20 0 GFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000459726191 564760083 /nfs/dbraw/zinc/76/00/83/564760083.db2.gz BIGYEMIFMKYNEB-CQSZACIVSA-N 2 0 378.318 2.851 20 0 GFADRP Cn1ccnc1[C@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581318154 564797377 /nfs/dbraw/zinc/79/73/77/564797377.db2.gz CVDPUBIXFUYNEU-WFASDCNBSA-N 2 0 398.276 2.551 20 0 GFADRP COc1cc(Cl)c(Cl)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000583424819 564891390 /nfs/dbraw/zinc/89/13/90/564891390.db2.gz UNBQIAISTUVLGE-UHFFFAOYSA-N 2 0 377.316 2.959 20 0 GFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000466470889 564941172 /nfs/dbraw/zinc/94/11/72/564941172.db2.gz CDJQCKPZLYVKCW-UHFFFAOYSA-N 2 0 397.361 2.560 20 0 GFADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000562838204 565044874 /nfs/dbraw/zinc/04/48/74/565044874.db2.gz BTXUTPJLUQMYME-AEFFLSMTSA-N 2 0 396.329 2.606 20 0 GFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638620464 565205665 /nfs/dbraw/zinc/20/56/65/565205665.db2.gz RGNBHLNQMBLXOQ-CQSZACIVSA-N 2 0 382.302 2.917 20 0 GFADRP CN1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638682103 565207399 /nfs/dbraw/zinc/20/73/99/565207399.db2.gz QKYGCMOGZQCURH-MSOLQXFVSA-N 2 0 396.373 2.631 20 0 GFADRP C[C@@]([NH3+])(C(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc(Br)cc1 ZINC000638845434 565214276 /nfs/dbraw/zinc/21/42/76/565214276.db2.gz PCJVRGRTFAYLNV-IBGZPJMESA-N 2 0 388.309 2.585 20 0 GFADRP COc1cc(C[NH2+]CCC2(C[NH3+])CC2)cc(I)c1OC ZINC000593314875 565326822 /nfs/dbraw/zinc/32/68/22/565326822.db2.gz GWMNGRSDIXENQQ-UHFFFAOYSA-N 2 0 390.265 2.527 20 0 GFADRP Brc1ccc(C2([NH2+]C[C@@H]3CCC4(C[NH2+]C4)O3)CCOCC2)cc1 ZINC000662258457 565357933 /nfs/dbraw/zinc/35/79/33/565357933.db2.gz JBMKVRLEJDOZKP-INIZCTEOSA-N 2 0 381.314 2.565 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(F)cncc1Br ZINC000668160279 565629842 /nfs/dbraw/zinc/62/98/42/565629842.db2.gz XVZRMHFKBUPASG-AWEZNQCLSA-N 2 0 387.341 2.831 20 0 GFADRP Cc1cc(Br)c(F)c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000625523123 565635056 /nfs/dbraw/zinc/63/50/56/565635056.db2.gz YSXYSMCNBJCDNA-ZDUSSCGKSA-N 2 0 398.320 2.795 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)c1ccc(Br)cc1 ZINC000647092891 565636983 /nfs/dbraw/zinc/63/69/83/565636983.db2.gz JNCAGEXVUBWMML-QFBILLFUSA-N 2 0 394.357 2.860 20 0 GFADRP O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000629532211 565857648 /nfs/dbraw/zinc/85/76/48/565857648.db2.gz RGSXRVRURKBZLX-MRXNPFEDSA-N 2 0 378.314 2.778 20 0 GFADRP O[C@H](C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C[NH+]1CCCC1 ZINC000629560074 565859566 /nfs/dbraw/zinc/85/95/66/565859566.db2.gz WXOKCCHXBKBDDV-GOSISDBHSA-N 2 0 397.357 2.544 20 0 GFADRP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000651466681 565864456 /nfs/dbraw/zinc/86/44/56/565864456.db2.gz CJZWJKQKZYRYJH-HUUCEWRRSA-N 2 0 399.373 2.929 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000651466680 565864828 /nfs/dbraw/zinc/86/48/28/565864828.db2.gz CJZWJKQKZYRYJH-GJZGRUSLSA-N 2 0 399.373 2.929 20 0 GFADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346634 565922994 /nfs/dbraw/zinc/92/29/94/565922994.db2.gz BVUMQKAWTZKKPD-SQWLQELKSA-N 2 0 385.961 2.578 20 0 GFADRP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCOCC[NH+](C)C ZINC000655759825 566086857 /nfs/dbraw/zinc/08/68/57/566086857.db2.gz SFEIZWJFXNEGGJ-UHFFFAOYSA-N 2 0 381.318 2.611 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635443135 566213883 /nfs/dbraw/zinc/21/38/83/566213883.db2.gz FODAOANKGDPXKG-INIZCTEOSA-N 2 0 382.346 2.681 20 0 GFADRP C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000736135109 598285835 /nfs/dbraw/zinc/28/58/35/598285835.db2.gz MYTKMVMTPMVOQI-HNNXBMFYSA-N 2 0 395.486 2.608 20 0 GFADRP c1ccc(-c2nn[nH]n2)c(OCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000826519480 607750104 /nfs/dbraw/zinc/75/01/04/607750104.db2.gz AANAEMTVPLPBDR-UHFFFAOYSA-N 2 0 384.528 2.834 20 0 GFADRP CC[N@H+](CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)CC1CC1 ZINC000825419391 608211770 /nfs/dbraw/zinc/21/17/70/608211770.db2.gz OPISRNQGQKKVDR-OAQYLSRUSA-N 2 0 398.555 2.734 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000817906296 660211853 /nfs/dbraw/zinc/21/18/53/660211853.db2.gz WRUAMSSRWNDIEA-WFASDCNBSA-N 2 0 389.323 2.938 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000817906209 660211894 /nfs/dbraw/zinc/21/18/94/660211894.db2.gz YLPQBMLMYYEPPQ-MLGOLLRUSA-N 2 0 389.323 2.938 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000819172585 660248496 /nfs/dbraw/zinc/24/84/96/660248496.db2.gz DTGKAVQBQPZEOG-GUDVDZBRSA-N 2 0 397.357 2.840 20 0 GFADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)ccn1 ZINC000819196835 660249816 /nfs/dbraw/zinc/24/98/16/660249816.db2.gz SXJYLIYRVOOGDT-KRWDZBQOSA-N 2 0 394.313 2.608 20 0 GFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCCO1 ZINC000819265245 660252755 /nfs/dbraw/zinc/25/27/55/660252755.db2.gz NHFPKICHAMZFSK-DYVFJYSZSA-N 2 0 389.309 2.712 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000098024295 655038599 /nfs/dbraw/zinc/03/85/99/655038599.db2.gz RATFUHWQADUSNB-UHFFFAOYSA-N 2 0 397.361 2.617 20 0 GFADRP C[N@H+](CCc1ccc(Br)cc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000106861661 655112642 /nfs/dbraw/zinc/11/26/42/655112642.db2.gz IVRLDJOQTXFEKY-UHFFFAOYSA-N 2 0 394.357 2.666 20 0 GFADRP C[C@@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000575975239 655441295 /nfs/dbraw/zinc/44/12/95/655441295.db2.gz GMCZSOBMYBIMGL-HNNXBMFYSA-N 2 0 384.362 2.895 20 0 GFADRP CO[C@@H](C[NH3+])CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000576034477 655442210 /nfs/dbraw/zinc/44/22/10/655442210.db2.gz UPZLEMGDJFIYRI-CQSZACIVSA-N 2 0 376.328 2.638 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)/C=C/c1ccccc1Cl ZINC000727438728 655544933 /nfs/dbraw/zinc/54/49/33/655544933.db2.gz ANSCWCPGGOQYLI-LFIBNONCSA-N 2 0 387.977 2.846 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)c(Cl)n1C ZINC000750735606 655816697 /nfs/dbraw/zinc/81/66/97/655816697.db2.gz ZDMMFECKLDTWBS-ZDUSSCGKSA-N 2 0 375.344 2.820 20 0 GFADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)cc1 ZINC000775360990 656632446 /nfs/dbraw/zinc/63/24/46/656632446.db2.gz BOWLHNAVEIPHOV-VAMGGRTRSA-N 2 0 377.623 2.773 20 0 GFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3c(Cl)nc4cc(Cl)ccn43)C2)CC1 ZINC000796307072 658912257 /nfs/dbraw/zinc/91/22/57/658912257.db2.gz ZELIFUQZBFSVCW-AWEZNQCLSA-N 2 0 382.339 2.899 20 0 GFADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Br)nc1 ZINC000810209384 659966429 /nfs/dbraw/zinc/96/64/29/659966429.db2.gz PZGSCFSLRDUXBW-CQSZACIVSA-N 2 0 390.329 2.842 20 0 GFADRP C[C@@H](NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000843364257 661378776 /nfs/dbraw/zinc/37/87/76/661378776.db2.gz XHUFWQGROOYDOM-CQSZACIVSA-N 2 0 380.330 2.702 20 0 GFADRP C[NH+](C)C[C@@H]1CN(c2ccnc3cc(Br)cnc32)C[C@H]1C[NH+](C)C ZINC000866012260 662456483 /nfs/dbraw/zinc/45/64/83/662456483.db2.gz VZTMYIQVWFIBRX-ZIAGYGMSSA-N 2 0 392.345 2.568 20 0 GFADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000870910273 662707743 /nfs/dbraw/zinc/70/77/43/662707743.db2.gz NCKPZXDVVGCEGL-OLMNPRSZSA-N 2 0 392.341 2.924 20 0 GFADRP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870914390 662707949 /nfs/dbraw/zinc/70/79/49/662707949.db2.gz NBYFZZFBLWRHNH-UHFFFAOYSA-N 2 0 377.539 2.786 20 0 GFADRP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000873274413 662804792 /nfs/dbraw/zinc/80/47/92/662804792.db2.gz DDHLHDOMUNVUFI-UIWVKPTASA-N 2 0 377.326 2.834 20 0 GFADRP C[NH+](C)C[C@@H]1CN(Cc2cc(Br)cnc2Cl)C[C@H]1C[NH+](C)C ZINC000877669841 662881377 /nfs/dbraw/zinc/88/13/77/662881377.db2.gz BHVZYEUATDEVEA-ZIAGYGMSSA-N 2 0 389.769 2.669 20 0 GFADRP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000879055918 662914896 /nfs/dbraw/zinc/91/48/96/662914896.db2.gz HYIIYYMHEAPGQR-HOCLYGCPSA-N 2 0 394.357 2.837 20 0 GFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1Br ZINC000903919525 663811602 /nfs/dbraw/zinc/81/16/02/663811602.db2.gz DJZRCBVQTZXUSY-TZMCWYRMSA-N 2 0 395.345 2.968 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H](C)Cc2ccc(F)c(Br)c2)cnn1C ZINC000903923477 663811955 /nfs/dbraw/zinc/81/19/55/663811955.db2.gz VEIIPDSJPRGGOV-IUODEOHRSA-N 2 0 397.336 2.968 20 0 GFADRP [NH3+]CCN1CCC([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000904359320 663831409 /nfs/dbraw/zinc/83/14/09/663831409.db2.gz JQZJICLFMOEUAD-UHFFFAOYSA-N 2 0 385.383 2.971 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc(Br)c3c(c1)OCCO3)CC2 ZINC000904392313 663832317 /nfs/dbraw/zinc/83/23/17/663832317.db2.gz PHRLCSXCQAAAOK-AWEZNQCLSA-N 2 0 397.313 2.550 20 0 GFADRP [NH3+]C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923280880 664627264 /nfs/dbraw/zinc/62/72/64/664627264.db2.gz LEXRXBWSJPQGOP-YPMHNXCESA-N 2 0 377.710 2.513 20 0 GFADRP C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CCC([NH3+])CC1 ZINC000923293760 664627774 /nfs/dbraw/zinc/62/77/74/664627774.db2.gz AUXWSUPYGQRVRJ-NRXISQOPSA-N 2 0 375.282 2.530 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2sccc2Br)CC[NH2+]CC1 ZINC000925761869 664674540 /nfs/dbraw/zinc/67/45/40/664674540.db2.gz DRCDBNFCTBIINJ-LBPRGKRZSA-N 2 0 389.359 2.964 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC12CC[NH2+]CC2 ZINC000925848933 664675909 /nfs/dbraw/zinc/67/59/09/664675909.db2.gz LNTFPZRJNSWNIL-HUUCEWRRSA-N 2 0 393.325 2.581 20 0 GFADRP Cc1[nH+]c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc2[nH]ccc21 ZINC001164824728 720334138 /nfs/dbraw/zinc/33/41/38/720334138.db2.gz CVLZYMGZQAWSCN-WOJBJXKFSA-N 2 0 381.524 2.783 20 0 GFADRP C[N@H+](Cc1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1)C1CC1 ZINC001164736500 720585165 /nfs/dbraw/zinc/58/51/65/720585165.db2.gz MCYTWGQAWDBTSG-UHFFFAOYSA-N 2 0 380.540 2.531 20 0 GFADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3C[NH3+])C2)C1 ZINC001164780832 721361977 /nfs/dbraw/zinc/36/19/77/721361977.db2.gz IEGGDAFAQDRTEL-JOCHJYFZSA-N 2 0 399.539 2.573 20 0 GFADRP CN1c2ccccc2[C@@]2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)C1=O ZINC001164978403 722162701 /nfs/dbraw/zinc/16/27/01/722162701.db2.gz HPTHLTOZSNGNDC-QHCPKHFHSA-N 2 0 392.503 2.679 20 0 GFADRP Cc1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1C1C[NH2+]C1 ZINC001164998491 722213994 /nfs/dbraw/zinc/21/39/94/722213994.db2.gz WBORWSMZFVYLCO-JOCHJYFZSA-N 2 0 381.499 2.856 20 0 GFADRP CCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000169225972 551634694 /nfs/dbraw/zinc/63/46/94/551634694.db2.gz XYZXONBGUBGEQJ-QGZVFWFLSA-N 2 0 398.345 2.536 20 0 GFADRP C[C@@H]1CN(Cc2cc(O)ccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370697769 563252386 /nfs/dbraw/zinc/25/23/86/563252386.db2.gz MHKAHRGGHVYDRY-RDTXWAMCSA-N 2 0 382.346 2.613 20 0 GFADRP Brc1ccc(CN2CCCOCC2)c(CN2CCCOCC2)c1 ZINC000373033521 563326288 /nfs/dbraw/zinc/32/62/88/563326288.db2.gz CTLAWQIMMWEYFC-UHFFFAOYSA-N 2 0 383.330 2.894 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422951444 563351768 /nfs/dbraw/zinc/35/17/68/563351768.db2.gz YOCKZHIVZADEIL-QGZVFWFLSA-N 2 0 385.346 2.841 20 0 GFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000423043769 563352965 /nfs/dbraw/zinc/35/29/65/563352965.db2.gz PXDOSCDMIZKPGI-NSHDSACASA-N 2 0 377.286 2.901 20 0 GFADRP Brc1cccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423089827 563354925 /nfs/dbraw/zinc/35/49/25/563354925.db2.gz TUKMAGDYFYRIEA-DSLXNQLJSA-N 2 0 394.357 2.775 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000423106387 563355519 /nfs/dbraw/zinc/35/55/19/563355519.db2.gz ZTIWWNRJOZCABD-BHYNMZESSA-N 2 0 394.684 2.787 20 0 GFADRP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423152031 563357155 /nfs/dbraw/zinc/35/71/55/563357155.db2.gz FEJVDCBSVXPVTK-XOYHFGRZSA-N 2 0 385.346 2.716 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423162029 563358031 /nfs/dbraw/zinc/35/80/31/563358031.db2.gz OTWKHEZYKFDSKJ-JJRVBVJISA-N 2 0 385.346 2.716 20 0 GFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Br)cc1Br ZINC000423200208 563358581 /nfs/dbraw/zinc/35/85/81/563358581.db2.gz DWEBPRUZDRFJLC-NSHDSACASA-N 2 0 391.151 2.767 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCc2cc(Br)ccc21)N1CC[NH2+]CC1 ZINC000423384547 563360588 /nfs/dbraw/zinc/36/05/88/563360588.db2.gz KATRZPRCDLJNDF-HUUCEWRRSA-N 2 0 392.263 2.862 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1Br ZINC000423471887 563361079 /nfs/dbraw/zinc/36/10/79/563361079.db2.gz ZVWVUDAYBFOOFZ-NJAPINKUSA-N 2 0 380.330 2.747 20 0 GFADRP CCSCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000282678509 563420546 /nfs/dbraw/zinc/42/05/46/563420546.db2.gz JNJCIWQLWLJTHZ-INIZCTEOSA-N 2 0 387.615 2.710 20 0 GFADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc2cc(Br)ccc2o1 ZINC000285481444 563522896 /nfs/dbraw/zinc/52/28/96/563522896.db2.gz CRDOSUXYMVEATP-UHFFFAOYSA-N 2 0 381.318 2.660 20 0 GFADRP C[NH+](C)CC1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000432949101 563597848 /nfs/dbraw/zinc/59/78/48/563597848.db2.gz NGTPTDLPBLNEHX-KRWDZBQOSA-N 2 0 380.330 2.828 20 0 GFADRP C[NH+](C)CC1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000432949102 563598019 /nfs/dbraw/zinc/59/80/19/563598019.db2.gz NGTPTDLPBLNEHX-QGZVFWFLSA-N 2 0 380.330 2.828 20 0 GFADRP CN(CCc1ccc(Br)cc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433145579 563604303 /nfs/dbraw/zinc/60/43/03/563604303.db2.gz RGCXURIYULZLSR-UHFFFAOYSA-N 2 0 382.346 2.653 20 0 GFADRP CC[C@H](C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000413842244 563707541 /nfs/dbraw/zinc/70/75/41/563707541.db2.gz HSQFQDLEKTUDLE-XJKSGUPXSA-N 2 0 397.361 2.868 20 0 GFADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000414204493 563722684 /nfs/dbraw/zinc/72/26/84/563722684.db2.gz WJWXJPZTPUELIU-INIZCTEOSA-N 2 0 396.373 2.896 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414831340 563753315 /nfs/dbraw/zinc/75/33/15/563753315.db2.gz NDVKOORGZQJYLP-HNNXBMFYSA-N 2 0 394.357 2.951 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2CCC[NH2+]2)CC1 ZINC000414851435 563753804 /nfs/dbraw/zinc/75/38/04/563753804.db2.gz UIIPVYSQLQZYOB-INIZCTEOSA-N 2 0 380.330 2.704 20 0 GFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414970108 563755345 /nfs/dbraw/zinc/75/53/45/563755345.db2.gz JYCBZPLLYJSRTM-IUODEOHRSA-N 2 0 394.279 2.806 20 0 GFADRP Fc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Br ZINC000414996138 563755951 /nfs/dbraw/zinc/75/59/51/563755951.db2.gz XCHXDJSDDLPEGG-CYBMUJFWSA-N 2 0 384.215 2.514 20 0 GFADRP Cc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Br ZINC000414997630 563757072 /nfs/dbraw/zinc/75/70/72/563757072.db2.gz YLVMHTVGZZRBJV-CQSZACIVSA-N 2 0 380.252 2.683 20 0 GFADRP COc1sc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1Br ZINC000415059165 563757895 /nfs/dbraw/zinc/75/78/95/563757895.db2.gz UNRGVHZYWPVJLR-UHFFFAOYSA-N 2 0 388.375 2.825 20 0 GFADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1ccccc1Br ZINC000539298323 564215423 /nfs/dbraw/zinc/21/54/23/564215423.db2.gz NCLQCWAATNJKOZ-INIZCTEOSA-N 2 0 383.330 2.653 20 0 GFADRP O=C1[C@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CCN1c1cccc(Br)c1 ZINC000564212821 564224872 /nfs/dbraw/zinc/22/48/72/564224872.db2.gz UKGVVHOCTMIJSD-MRXNPFEDSA-N 2 0 378.314 2.630 20 0 GFADRP C[C@@H]([NH2+]CCC(F)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540187373 564240528 /nfs/dbraw/zinc/24/05/28/564240528.db2.gz XLVVQXMFXWPHFY-CYBMUJFWSA-N 2 0 381.464 2.520 20 0 GFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474724608 564286866 /nfs/dbraw/zinc/28/68/66/564286866.db2.gz BZRKJYQQFUWZFI-YESZJQIVSA-N 2 0 386.005 2.873 20 0 GFADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000566116580 564310655 /nfs/dbraw/zinc/31/06/55/564310655.db2.gz PXULMEJETGITRL-BNOWGMLFSA-N 2 0 391.737 2.915 20 0 GFADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000567605306 564379776 /nfs/dbraw/zinc/37/97/76/564379776.db2.gz MXVKLBJWZOOGEN-WBVHZDCISA-N 2 0 385.346 2.756 20 0 GFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479056584 564423797 /nfs/dbraw/zinc/42/37/97/564423797.db2.gz HVNNRVVDJXBCGH-SNVBAGLBSA-N 2 0 380.341 2.633 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000453375057 564456097 /nfs/dbraw/zinc/45/60/97/564456097.db2.gz OVLRKAWOPWJRJP-GRDNDAEWSA-N 2 0 385.346 2.539 20 0 GFADRP CCSc1nnc(NC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)s1 ZINC000570104477 564491457 /nfs/dbraw/zinc/49/14/57/564491457.db2.gz LEMAIIPOYMQFEF-UHFFFAOYSA-N 2 0 383.587 2.785 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000584173257 564924223 /nfs/dbraw/zinc/92/42/23/564924223.db2.gz GADJOBBFBSJRMF-JKSUJKDBSA-N 2 0 394.357 2.729 20 0 GFADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000561338477 564991475 /nfs/dbraw/zinc/99/14/75/564991475.db2.gz LWEMPNJFYQYPON-KRWDZBQOSA-N 2 0 381.611 2.856 20 0 GFADRP O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CCN(C2CC2)CC1 ZINC000503437993 565019576 /nfs/dbraw/zinc/01/95/76/565019576.db2.gz NVDACMZUBJCYHC-SFHVURJKSA-N 2 0 392.341 2.893 20 0 GFADRP O=C([C@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1)N1CC[NH2+]CC1 ZINC000470004564 565034410 /nfs/dbraw/zinc/03/44/10/565034410.db2.gz ZKQIUEKAKSOSFV-AWEZNQCLSA-N 2 0 376.551 2.515 20 0 GFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000562838213 565044520 /nfs/dbraw/zinc/04/45/20/565044520.db2.gz BTXUTPJLUQMYME-SJLPKXTDSA-N 2 0 396.329 2.606 20 0 GFADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000562988321 565051258 /nfs/dbraw/zinc/05/12/58/565051258.db2.gz YDXORXZOXJVOBA-QGZVFWFLSA-N 2 0 385.346 2.899 20 0 GFADRP Brc1cnc2c(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cnn2c1 ZINC000638184592 565187798 /nfs/dbraw/zinc/18/77/98/565187798.db2.gz YSDHNAWZSQETBD-SUMWQHHRSA-N 2 0 390.329 2.941 20 0 GFADRP O=C(c1sc2c(c1Br)CNC2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662336672 565362322 /nfs/dbraw/zinc/36/23/22/565362322.db2.gz HKFVBOQWNGOPJK-ZYHUDNBSSA-N 2 0 384.343 2.718 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000662590505 565378120 /nfs/dbraw/zinc/37/81/20/565378120.db2.gz AILIPIIBFDSYBE-KXBFYZLASA-N 2 0 394.357 2.861 20 0 GFADRP C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000663442742 565421228 /nfs/dbraw/zinc/42/12/28/565421228.db2.gz KLDXWALEIRAJDR-CQSZACIVSA-N 2 0 385.350 2.693 20 0 GFADRP C[NH+](C)CC1CCC(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000646262433 565593134 /nfs/dbraw/zinc/59/31/34/565593134.db2.gz VTWKNGJBQQYLQN-AUCFXJAVSA-N 2 0 382.346 2.860 20 0 GFADRP Cc1cccc(CC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1Br ZINC000625520824 565635157 /nfs/dbraw/zinc/63/51/57/565635157.db2.gz YFZAGEXBEPQRKZ-INIZCTEOSA-N 2 0 394.357 2.585 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)c1ccc(Br)cc1 ZINC000647092889 565636948 /nfs/dbraw/zinc/63/69/48/565636948.db2.gz JNCAGEXVUBWMML-APWZRJJASA-N 2 0 394.357 2.860 20 0 GFADRP COCCN(C)C[C@H](O)C[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040811 565672417 /nfs/dbraw/zinc/67/24/17/565672417.db2.gz MRWYDPBZAMKKNJ-KYJSFNMBSA-N 2 0 385.346 2.566 20 0 GFADRP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000626041127 565672446 /nfs/dbraw/zinc/67/24/46/565672446.db2.gz QYUSCUMHTGHXIF-RDJZCZTQSA-N 2 0 394.357 2.791 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000647798258 565676739 /nfs/dbraw/zinc/67/67/39/565676739.db2.gz OPDLBOUOIHIYBY-LUKYLMHMSA-N 2 0 397.357 2.586 20 0 GFADRP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000647799922 565677304 /nfs/dbraw/zinc/67/73/04/565677304.db2.gz UIKDXLNCGZHJIS-XUWVNRHRSA-N 2 0 385.321 2.717 20 0 GFADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346632 565923473 /nfs/dbraw/zinc/92/34/73/565923473.db2.gz BVUMQKAWTZKKPD-LZWOXQAQSA-N 2 0 385.961 2.578 20 0 GFADRP C[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000679341737 566037652 /nfs/dbraw/zinc/03/76/52/566037652.db2.gz ZJVUEKWKRATQPO-ATZDWAIDSA-N 2 0 396.373 2.895 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679340559 566038537 /nfs/dbraw/zinc/03/85/37/566038537.db2.gz FDNLTIMERGHHKI-AYOQOUSVSA-N 2 0 396.373 2.895 20 0 GFADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820411254 607209386 /nfs/dbraw/zinc/20/93/86/607209386.db2.gz HNLLSXIPMJKOGL-LAUBAEHRSA-N 2 0 391.523 2.506 20 0 GFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824983784 609330799 /nfs/dbraw/zinc/33/07/99/609330799.db2.gz CSOYRIGGIPIQSB-KFWWJZLASA-N 2 0 376.480 2.546 20 0 GFADRP C[C@@H](C[NH2+][C@H](c1nc(Br)cs1)C1CC1)CN1CC[NH+](C)CC1 ZINC000817577118 660201209 /nfs/dbraw/zinc/20/12/09/660201209.db2.gz DOAGDHWYNBDGBD-WFASDCNBSA-N 2 0 387.391 2.830 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000817896732 660211693 /nfs/dbraw/zinc/21/16/93/660211693.db2.gz QQENIVYVHVLCJS-LRDDRELGSA-N 2 0 389.323 2.938 20 0 GFADRP O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)C[NH+]1CCCC1 ZINC000276177230 655265946 /nfs/dbraw/zinc/26/59/46/655265946.db2.gz UKMNHXODXVLEGH-RTBURBONSA-N 2 0 397.357 2.963 20 0 GFADRP C[C@]([NH3+])(C(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(Br)cc1 ZINC000261663728 655441718 /nfs/dbraw/zinc/44/17/18/655441718.db2.gz CFKGCNVNIFASAJ-IEBWSBKVSA-N 2 0 388.309 2.626 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000840764821 661185280 /nfs/dbraw/zinc/18/52/80/661185280.db2.gz AODZXJVJJJLDPN-FUHWJXTLSA-N 2 0 380.627 2.960 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(Br)o1 ZINC000750735582 655816719 /nfs/dbraw/zinc/81/67/19/655816719.db2.gz YXLYKOIWSDKMGE-TUPIDYKKSA-N 2 0 398.345 2.930 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2nc3ccccn3c2Br)C1 ZINC000844912383 661448878 /nfs/dbraw/zinc/44/88/78/661448878.db2.gz SZAPWYGJDYUWBY-KBMXLJTQSA-N 2 0 393.329 2.958 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2nc(Br)cs2)CC1 ZINC000854231574 661919966 /nfs/dbraw/zinc/91/99/66/661919966.db2.gz KYQCTHUJWGMAFG-LLVKDONJSA-N 2 0 389.363 2.547 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000861646217 662253078 /nfs/dbraw/zinc/25/30/78/662253078.db2.gz OTBVOXUTMNEEAB-ZIAGYGMSSA-N 2 0 395.281 2.893 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000861646212 662253173 /nfs/dbraw/zinc/25/31/73/662253173.db2.gz OTBVOXUTMNEEAB-KGLIPLIRSA-N 2 0 395.281 2.893 20 0 GFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000866702619 662490860 /nfs/dbraw/zinc/49/08/60/662490860.db2.gz DCORJOXSCLQFEJ-SFHVURJKSA-N 2 0 393.329 2.654 20 0 GFADRP Cc1ccc(Br)c(C)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018042 662671444 /nfs/dbraw/zinc/67/14/44/662671444.db2.gz UKRLWOFLXGGBQF-HZPDHXFCSA-N 2 0 396.373 2.877 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)c2c(Cl)cc(F)cc2Cl)C[C@H]1C[NH+](C)C ZINC000870020025 662671468 /nfs/dbraw/zinc/67/14/68/662671468.db2.gz ZIZFQAZGFCMYMM-VXGBXAGGSA-N 2 0 376.303 2.944 20 0 GFADRP C[NH+](C)Cc1cc(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)ccc1F ZINC000870889072 662705789 /nfs/dbraw/zinc/70/57/89/662705789.db2.gz VOQHOVGHBCOTOT-KRWDZBQOSA-N 2 0 394.288 2.966 20 0 GFADRP CCOP(=O)(CCC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)OCC ZINC000877526844 662878057 /nfs/dbraw/zinc/87/80/57/662878057.db2.gz VPHIKOIVFKENTD-GOSISDBHSA-N 2 0 375.494 2.743 20 0 GFADRP C[NH+]1CCN(C2CC[NH+](CCOc3ccc(Br)cc3)CC2)CC1 ZINC000879590483 662930186 /nfs/dbraw/zinc/93/01/86/662930186.db2.gz FBONEYDLXDAWFS-UHFFFAOYSA-N 2 0 382.346 2.540 20 0 GFADRP [NH3+][C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000884343980 663069332 /nfs/dbraw/zinc/06/93/32/663069332.db2.gz RVIIRXOUHLFGRX-USXIJHARSA-N 2 0 392.272 2.541 20 0 GFADRP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000905173807 663856658 /nfs/dbraw/zinc/85/66/58/663856658.db2.gz HRRMIBDAWIUARW-FHWLQOOXSA-N 2 0 397.357 2.840 20 0 GFADRP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923321101 664628202 /nfs/dbraw/zinc/62/82/02/664628202.db2.gz KFQDFEJSZQVJCZ-ZDUSSCGKSA-N 2 0 381.318 2.637 20 0 GFADRP [NH3+]C1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000925811678 664675272 /nfs/dbraw/zinc/67/52/72/664675272.db2.gz JXWAQIBDWWKXEA-ROUUACIJSA-N 2 0 382.346 2.682 20 0 GFADRP C[N@H+](Cc1ccc(N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1)C1CC1 ZINC001164692511 719760624 /nfs/dbraw/zinc/76/06/24/719760624.db2.gz UPUANANYQZCMOS-AVRDEDQJSA-N 2 0 397.498 2.869 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164832553 720323069 /nfs/dbraw/zinc/32/30/69/720323069.db2.gz UIGYLZYSDZQZBQ-WOJBJXKFSA-N 2 0 381.524 2.783 20 0 GFADRP c1cncc(CO[C@@H]2C[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[N@@H+]3C2)c1 ZINC001164879865 721184927 /nfs/dbraw/zinc/18/49/27/721184927.db2.gz UWFIIYRFECTUEM-FCHUYYIVSA-N 2 0 393.535 2.552 20 0 GFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCC3)cc[nH+]2)[C@@H]2CCCO[C@H]12 ZINC001164798223 721567431 /nfs/dbraw/zinc/56/74/31/721567431.db2.gz AZUFHDNORWZSFY-XPNTWCBSSA-N 2 0 393.535 2.945 20 0 GFADRP Cc1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1C1C[NH2+]C1 ZINC001165023940 721832297 /nfs/dbraw/zinc/83/22/97/721832297.db2.gz IWEDEHBJGPLGAB-DZFGPLHGSA-N 2 0 392.551 2.604 20 0 GFADRP Cc1nccn1CCC[N@@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000130390534 551364075 /nfs/dbraw/zinc/36/40/75/551364075.db2.gz QBPFWZNYOCNTMW-UHFFFAOYSA-N 2 0 393.329 2.935 20 0 GFADRP C[C@H](Cc1ccc(Br)cc1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000153767108 551460253 /nfs/dbraw/zinc/46/02/53/551460253.db2.gz DLYRZZKDKZSHIB-OAHLLOKOSA-N 2 0 399.377 2.515 20 0 GFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188731990 552453989 /nfs/dbraw/zinc/45/39/89/552453989.db2.gz IMBUKVVKUGMSDA-HNNXBMFYSA-N 2 0 382.346 2.717 20 0 GFADRP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CCSC)cc2Cl)CC1 ZINC000236782936 553071631 /nfs/dbraw/zinc/07/16/31/553071631.db2.gz WLIXBXBJGKVSAP-INIZCTEOSA-N 2 0 384.977 2.891 20 0 GFADRP C[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000261681595 553156127 /nfs/dbraw/zinc/15/61/27/553156127.db2.gz GXLBBXJSZZXFIG-KBXCAEBGSA-N 2 0 382.346 2.860 20 0 GFADRP CC[NH+]1CCC(CCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261695091 553156851 /nfs/dbraw/zinc/15/68/51/553156851.db2.gz HWPGANWEMBIKLH-GOSISDBHSA-N 2 0 382.346 2.861 20 0 GFADRP O=C(NC[C@H]1CCC[N@@H+](Cc2sccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000262103688 553166100 /nfs/dbraw/zinc/16/61/00/553166100.db2.gz JCYDFNBEKZGKPM-TZMCWYRMSA-N 2 0 386.359 2.591 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cccc(Br)c2OC(F)F)CC1 ZINC000539711838 564226242 /nfs/dbraw/zinc/22/62/42/564226242.db2.gz DPDRTQUHELSZCE-UHFFFAOYSA-N 2 0 379.245 2.597 20 0 GFADRP C[C@@H]1CN(Cc2cc(O)ccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370697767 563252446 /nfs/dbraw/zinc/25/24/46/563252446.db2.gz MHKAHRGGHVYDRY-KDOFPFPSSA-N 2 0 382.346 2.613 20 0 GFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772167 563349063 /nfs/dbraw/zinc/34/90/63/563349063.db2.gz YYYNBSMWNDMVDB-VXGBXAGGSA-N 2 0 377.348 2.717 20 0 GFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422778148 563349731 /nfs/dbraw/zinc/34/97/31/563349731.db2.gz AFZPWPPVPOMAMT-WBVHZDCISA-N 2 0 385.599 2.572 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422842661 563350015 /nfs/dbraw/zinc/35/00/15/563350015.db2.gz YUJSXJWJSZETIA-TXCZRRACSA-N 2 0 383.330 2.963 20 0 GFADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)COc1ccccc1Br ZINC000422937671 563351595 /nfs/dbraw/zinc/35/15/95/563351595.db2.gz JSHMEXKQXDUYGV-YALNPMBYSA-N 2 0 383.330 2.699 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(Cl)cc1I ZINC000423088490 563354468 /nfs/dbraw/zinc/35/44/68/563354468.db2.gz QHMQKADOYGKJEO-LBPRGKRZSA-N 2 0 382.673 2.788 20 0 GFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c2ccccc21 ZINC000423100925 563355612 /nfs/dbraw/zinc/35/56/12/563355612.db2.gz NBJGTGJGJWWXHG-IRXDYDNUSA-N 2 0 379.913 2.743 20 0 GFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423110455 563355712 /nfs/dbraw/zinc/35/57/12/563355712.db2.gz IDWKTGLNWBMNJU-UKRRQHHQSA-N 2 0 391.940 2.658 20 0 GFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423466416 563361489 /nfs/dbraw/zinc/36/14/89/563361489.db2.gz ANTURAINSVJMGU-QWRGUYRKSA-N 2 0 380.341 2.824 20 0 GFADRP Cc1cc(Br)cn2cc(CNC(=O)N(C)[C@@H]3CCC[NH2+]CC3)nc12 ZINC000333738070 563640630 /nfs/dbraw/zinc/64/06/30/563640630.db2.gz INEKKBRHVRWCMJ-OAHLLOKOSA-N 2 0 394.317 2.689 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000414673667 563749250 /nfs/dbraw/zinc/74/92/50/563749250.db2.gz JEYBQTYFFMRHQT-PBHICJAKSA-N 2 0 380.330 2.783 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)C1 ZINC000414757172 563751447 /nfs/dbraw/zinc/75/14/47/563751447.db2.gz SASHIJBEORLQSN-CXAGYDPISA-N 2 0 398.320 2.922 20 0 GFADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc(I)c1OC ZINC000414929423 563754442 /nfs/dbraw/zinc/75/44/42/563754442.db2.gz RJBQGJMFHBSTDM-NEPJUHHUSA-N 2 0 390.265 2.668 20 0 GFADRP CS[C@@H]1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000415948942 563801378 /nfs/dbraw/zinc/80/13/78/563801378.db2.gz FDEINCNFJZFVTM-UONOGXRCSA-N 2 0 376.448 2.673 20 0 GFADRP CSc1ccc([C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)[NH+](C)C)cc1 ZINC000416038795 563803763 /nfs/dbraw/zinc/80/37/63/563803763.db2.gz FKLXBAHRCRFXGK-ZIAGYGMSSA-N 2 0 378.464 2.590 20 0 GFADRP C[C@H](C[NH2+]Cc1ccnc2c(Br)cccc12)CN1CC[NH+](C)CC1 ZINC000449131219 563906775 /nfs/dbraw/zinc/90/67/75/563906775.db2.gz KWNAWONATPGCSS-OAHLLOKOSA-N 2 0 391.357 2.970 20 0 GFADRP CC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)CC1 ZINC000449600489 564191353 /nfs/dbraw/zinc/19/13/53/564191353.db2.gz NZFPVHIUANHILH-HNNXBMFYSA-N 2 0 385.346 2.683 20 0 GFADRP C[NH+](C)CCOCC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000471556229 564197682 /nfs/dbraw/zinc/19/76/82/564197682.db2.gz BFZDZPWNWYVOMA-UHFFFAOYSA-N 2 0 384.362 2.581 20 0 GFADRP C[NH+](C)CCC1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000565875788 564299551 /nfs/dbraw/zinc/29/95/51/564299551.db2.gz RYXUZUUVPRIKPY-UHFFFAOYSA-N 2 0 393.329 2.621 20 0 GFADRP Fc1ccc2c(c1Br)CC[C@@H]2NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000566103562 564309486 /nfs/dbraw/zinc/30/94/86/564309486.db2.gz ADEWECOGTPBOQT-AWEZNQCLSA-N 2 0 394.292 2.950 20 0 GFADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510656121 564342143 /nfs/dbraw/zinc/34/21/43/564342143.db2.gz KPYMZLZDVQYCNK-RHSMWYFYSA-N 2 0 380.330 2.613 20 0 GFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(I)cc2)[C@H](C)C1 ZINC000511053828 564354889 /nfs/dbraw/zinc/35/48/89/564354889.db2.gz ZNJRDXJDAWZIQQ-CZUORRHYSA-N 2 0 388.293 2.990 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000477861462 564389992 /nfs/dbraw/zinc/38/99/92/564389992.db2.gz NLMTVOSHKLUFPF-SUMWQHHRSA-N 2 0 398.345 2.507 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000453346463 564454189 /nfs/dbraw/zinc/45/41/89/564454189.db2.gz FKSCMFKNOSVHBN-YRBFXIGRSA-N 2 0 399.373 2.927 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000453375065 564455919 /nfs/dbraw/zinc/45/59/19/564455919.db2.gz OVLRKAWOPWJRJP-ZQIUZPCESA-N 2 0 385.346 2.539 20 0 GFADRP CN(CCC[N@H+](C)Cc1ccc(I)cc1)CC[NH+](C)C ZINC000570005704 564486936 /nfs/dbraw/zinc/48/69/36/564486936.db2.gz VUJSLXDEBFBWMT-UHFFFAOYSA-N 2 0 389.325 2.607 20 0 GFADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCSC1 ZINC000481232505 564506777 /nfs/dbraw/zinc/50/67/77/564506777.db2.gz NTPKZQJBNBTTOS-MAUKXSAKSA-N 2 0 382.599 2.622 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485434219 564615552 /nfs/dbraw/zinc/61/55/52/564615552.db2.gz QTWIIRZLSSWVGW-UHFFFAOYSA-N 2 0 396.384 2.888 20 0 GFADRP COc1cc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1S(C)(=O)=O ZINC000576990679 564722709 /nfs/dbraw/zinc/72/27/09/564722709.db2.gz PGMSTRAJAUELSH-AWEZNQCLSA-N 2 0 386.583 2.577 20 0 GFADRP Cc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc(Cl)c1Br ZINC000555871669 564806782 /nfs/dbraw/zinc/80/67/82/564806782.db2.gz APJQTQOBAXGZTI-UHFFFAOYSA-N 2 0 390.753 2.976 20 0 GFADRP Brc1csc(-c2noc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c1 ZINC000582063186 564829289 /nfs/dbraw/zinc/82/92/89/564829289.db2.gz TUVZAKNQOQIJMA-PHIMTYICSA-N 2 0 383.315 2.992 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000529389186 564833464 /nfs/dbraw/zinc/83/34/64/564833464.db2.gz SYLVAHKPLMQCIT-ZQIUZPCESA-N 2 0 385.339 2.847 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(Br)s1 ZINC000583111057 564876393 /nfs/dbraw/zinc/87/63/93/564876393.db2.gz GABABVPXWFLGLH-CYBMUJFWSA-N 2 0 375.380 2.754 20 0 GFADRP C[N@H+](CCc1cccc(Br)c1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000463418183 564880604 /nfs/dbraw/zinc/88/06/04/564880604.db2.gz QSQAOOLKBDQUPH-UHFFFAOYSA-N 2 0 394.357 2.666 20 0 GFADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000530656313 564890351 /nfs/dbraw/zinc/89/03/51/564890351.db2.gz HHPDMOUVAJHDML-WMZOPIPTSA-N 2 0 384.977 2.679 20 0 GFADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCOCC[NH+](C)C ZINC000499239614 564921433 /nfs/dbraw/zinc/92/14/33/564921433.db2.gz MGDJGAVPMVXQNL-UHFFFAOYSA-N 2 0 395.345 2.919 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1F ZINC000560030003 564945394 /nfs/dbraw/zinc/94/53/94/564945394.db2.gz ZXZGTFHRMBBOQO-OAHLLOKOSA-N 2 0 391.940 2.516 20 0 GFADRP O=C([C@@H](c1ccc(Br)cc1)N1CCCC1)N1CCN(C2CC2)CC1 ZINC000503437992 565019149 /nfs/dbraw/zinc/01/91/49/565019149.db2.gz NVDACMZUBJCYHC-GOSISDBHSA-N 2 0 392.341 2.893 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000657572852 565110024 /nfs/dbraw/zinc/11/00/24/565110024.db2.gz DOUOTPAQYFEEOJ-ZDUSSCGKSA-N 2 0 386.334 2.539 20 0 GFADRP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000590125916 565179236 /nfs/dbraw/zinc/17/92/36/565179236.db2.gz SYNHFKPAQVFRIY-CQSZACIVSA-N 2 0 382.346 2.900 20 0 GFADRP COc1nsc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000638681982 565207279 /nfs/dbraw/zinc/20/72/79/565207279.db2.gz QTDHOKKUMRBTPZ-TXEJJXNPSA-N 2 0 392.363 2.893 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1ccc(Cl)c(Cl)c1 ZINC000638665037 565207384 /nfs/dbraw/zinc/20/73/84/565207384.db2.gz YDZTZTYQGBMCCL-CYBMUJFWSA-N 2 0 387.336 2.984 20 0 GFADRP C[N@@H+]1CC[C@]2(C1)CCCN([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661773 565288313 /nfs/dbraw/zinc/28/83/13/565288313.db2.gz GHLKXGMWBDSPAM-HKUYNNGSSA-N 2 0 392.341 2.972 20 0 GFADRP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)COc1cccc(Br)c1 ZINC000663374058 565416465 /nfs/dbraw/zinc/41/64/65/565416465.db2.gz CGAAQZGNFMVXHA-SFHVURJKSA-N 2 0 397.357 2.900 20 0 GFADRP C[C@H](CCNc1ncnc(NCC[C@H](C)[NH+](C)C)c1Br)[NH+](C)C ZINC000664246506 565456478 /nfs/dbraw/zinc/45/64/78/565456478.db2.gz VQPQSUIQVPFXKR-BETUJISGSA-N 3 0 387.370 2.743 20 0 GFADRP CN(CCC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)CC[NH+](C)C ZINC000623087749 565495472 /nfs/dbraw/zinc/49/54/72/565495472.db2.gz GXCLIXQSLCCXCF-UHFFFAOYSA-N 2 0 385.343 2.547 20 0 GFADRP Fc1cc(Br)cnc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000623562492 565518288 /nfs/dbraw/zinc/51/82/88/565518288.db2.gz TUKRNOAYJRPIPI-UHFFFAOYSA-N 2 0 386.309 2.964 20 0 GFADRP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000649411767 565761085 /nfs/dbraw/zinc/76/10/85/565761085.db2.gz AAQXQAZMBCYHAM-HUUCEWRRSA-N 2 0 395.345 2.884 20 0 GFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Br)c1O ZINC000650708167 565832555 /nfs/dbraw/zinc/83/25/55/565832555.db2.gz UQUJKPWKQURIMA-DUVNUKRYSA-N 2 0 399.329 2.882 20 0 GFADRP COc1c(Br)cc(C[NH2+]CCOCCC[NH3+])cc1Br ZINC000629398546 565851028 /nfs/dbraw/zinc/85/10/28/565851028.db2.gz FHSLXKGXGFOUOY-UHFFFAOYSA-N 2 0 396.123 2.675 20 0 GFADRP Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629581122 565860499 /nfs/dbraw/zinc/86/04/99/565860499.db2.gz NRJBEFJFVKFWMX-KRWDZBQOSA-N 2 0 380.330 2.716 20 0 GFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ncc(Br)cc3Cl)C2)CC1 ZINC000631070272 565937967 /nfs/dbraw/zinc/93/79/67/565937967.db2.gz RZYDYHZPMUFOKJ-CYBMUJFWSA-N 2 0 387.753 2.756 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679330837 566037749 /nfs/dbraw/zinc/03/77/49/566037749.db2.gz USEVDGSTEDZVCE-MOPGFXCFSA-N 2 0 396.373 2.896 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679330840 566038219 /nfs/dbraw/zinc/03/82/19/566038219.db2.gz USEVDGSTEDZVCE-RTBURBONSA-N 2 0 396.373 2.896 20 0 GFADRP C[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000679341741 566038697 /nfs/dbraw/zinc/03/86/97/566038697.db2.gz ZJVUEKWKRATQPO-LZQZEXGQSA-N 2 0 396.373 2.895 20 0 GFADRP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000635007302 566188691 /nfs/dbraw/zinc/18/86/91/566188691.db2.gz VYJUZUIWCKEBOJ-ATNRFADISA-N 2 0 377.326 2.834 20 0 GFADRP Clc1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(-c2nn[nH]n2)c1 ZINC000737574676 598794850 /nfs/dbraw/zinc/79/48/50/598794850.db2.gz NYJOIMJETCMIGK-UHFFFAOYSA-N 2 0 398.902 2.539 20 0 GFADRP c1cc(-c2nn[nH]n2)sc1C[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000826521748 608136000 /nfs/dbraw/zinc/13/60/00/608136000.db2.gz XOWZYISUVOZTKL-JQHSSLGASA-N 2 0 380.521 2.928 20 0 GFADRP C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000824598228 608280801 /nfs/dbraw/zinc/28/08/01/608280801.db2.gz CEMSXQZOJHKOAQ-MRXNPFEDSA-N 2 0 396.495 2.537 20 0 GFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576509 660201206 /nfs/dbraw/zinc/20/12/06/660201206.db2.gz SUIGDTVKARBHFE-WFASDCNBSA-N 2 0 387.391 2.972 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(F)ccc1Br ZINC000048402256 654706258 /nfs/dbraw/zinc/70/62/58/654706258.db2.gz FALCYAADFLGWNO-UHFFFAOYSA-N 2 0 388.325 2.934 20 0 GFADRP CN1CC[NH+](CCCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000102422202 655055083 /nfs/dbraw/zinc/05/50/83/655055083.db2.gz XPGFALKAVZMSPB-UHFFFAOYSA-N 2 0 394.357 2.842 20 0 GFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000274672969 655196634 /nfs/dbraw/zinc/19/66/34/655196634.db2.gz YJBNTRBYWPKNTJ-HNAYVOBHSA-N 2 0 380.374 2.922 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Br)cc2)[C@H](C)C1 ZINC000175727501 655226354 /nfs/dbraw/zinc/22/63/54/655226354.db2.gz OTNXAPQRSAUNLS-HFTRVMKXSA-N 2 0 385.346 2.851 20 0 GFADRP O[C@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)C[NH+]1CCCC1 ZINC000276177218 655265982 /nfs/dbraw/zinc/26/59/82/655265982.db2.gz UKMNHXODXVLEGH-MOPGFXCFSA-N 2 0 397.357 2.963 20 0 GFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261973887 655443400 /nfs/dbraw/zinc/44/34/00/655443400.db2.gz NHGGRNACFORUEI-KZULUSFZSA-N 2 0 376.298 2.959 20 0 GFADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)cc1 ZINC000775360979 656632424 /nfs/dbraw/zinc/63/24/24/656632424.db2.gz BOWLHNAVEIPHOV-AQNXPRMDSA-N 2 0 377.623 2.773 20 0 GFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)cn2)CC1 ZINC000775376510 656633631 /nfs/dbraw/zinc/63/36/31/656633631.db2.gz AGGMLRSRAPEJRQ-ZHALLVOQSA-N 2 0 378.611 2.693 20 0 GFADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c2ccccc2)CC1 ZINC000775378875 656633769 /nfs/dbraw/zinc/63/37/69/656633769.db2.gz CWWZBYMRMUOJIR-IYWMVGAKSA-N 2 0 377.623 2.944 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841797894 661314172 /nfs/dbraw/zinc/31/41/72/661314172.db2.gz CPBNEJDHWGSYAE-UHFFFAOYSA-N 2 0 381.830 2.711 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855346220 661987390 /nfs/dbraw/zinc/98/73/90/661987390.db2.gz RZEZDRCTEQZTNU-GUYCJALGSA-N 2 0 390.355 2.805 20 0 GFADRP Cc1c(Br)cccc1CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855346664 661987449 /nfs/dbraw/zinc/98/74/49/661987449.db2.gz IOWVTWUGSXVKEF-AWEZNQCLSA-N 2 0 384.362 2.688 20 0 GFADRP C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC[NH2+]CC1 ZINC000873220766 662803879 /nfs/dbraw/zinc/80/38/79/662803879.db2.gz SNYADCPSGXLFGA-AWEZNQCLSA-N 2 0 382.346 2.763 20 0 GFADRP COc1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(Br)c1 ZINC000877670016 662881391 /nfs/dbraw/zinc/88/13/91/662881391.db2.gz FCRGXBNMYTUXMU-HZPDHXFCSA-N 2 0 384.362 2.629 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(F)c1Br ZINC000881139762 662982975 /nfs/dbraw/zinc/98/29/75/662982975.db2.gz LLQWLVHDWVJXAU-UHFFFAOYSA-N 2 0 375.286 2.545 20 0 GFADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000892594368 663378299 /nfs/dbraw/zinc/37/82/99/663378299.db2.gz JFLMHNWUYOQJKX-UHFFFAOYSA-N 2 0 384.318 2.610 20 0 GFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C)nc2I)C1 ZINC000894179839 663447150 /nfs/dbraw/zinc/44/71/50/663447150.db2.gz HHCDEKMFVHVGJK-CYBMUJFWSA-N 2 0 390.313 2.626 20 0 GFADRP FC(F)(F)c1nnc(N2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)s1 ZINC000903913944 663811184 /nfs/dbraw/zinc/81/11/84/663811184.db2.gz GEQJKSFOJWFTIC-YHWZYXNKSA-N 2 0 375.464 2.600 20 0 GFADRP C[C@@H](C[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1)N1CC[NH+](C)CC1 ZINC000921690577 664560698 /nfs/dbraw/zinc/56/06/98/664560698.db2.gz UAGFWWWDTCRPNS-LBPRGKRZSA-N 2 0 383.309 2.795 20 0 GFADRP C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329375 664628349 /nfs/dbraw/zinc/62/83/49/664628349.db2.gz TWPAEEVPTZOTKR-VFSICIBPSA-N 2 0 387.293 2.543 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H](O)COc1ccc(Cl)cc1Cl)CC2 ZINC000923446090 664630712 /nfs/dbraw/zinc/63/07/12/664630712.db2.gz ZPDMCXFBVVLEPA-GJZGRUSLSA-N 2 0 389.323 2.563 20 0 GFADRP Cc1cc(NC(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)ccc1Br ZINC000923457608 664630883 /nfs/dbraw/zinc/63/08/83/664630883.db2.gz JXXZXCKYGSLWPU-OAHLLOKOSA-N 2 0 396.329 2.526 20 0 GFADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1Br ZINC000925850829 664675930 /nfs/dbraw/zinc/67/59/30/664675930.db2.gz BVRJMBVWRNXJIF-WCQYABFASA-N 2 0 385.277 2.924 20 0 GFADRP O=C1O[C@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC12CC[NH2+]CC2 ZINC000925849317 664675935 /nfs/dbraw/zinc/67/59/35/664675935.db2.gz HYBMJFCBJDLMMP-GOEBONIOSA-N 2 0 379.298 2.711 20 0 GFADRP c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4ccc(N5CC[NH2+]CC5)cn4)[C@@H]3C2)cc1 ZINC001164631480 719090130 /nfs/dbraw/zinc/09/01/30/719090130.db2.gz YHXGRDLRMSEOGD-RBBKRZOGSA-N 2 0 377.536 2.592 20 0 GFADRP C[N@H+](Cc1ccc(N2CC[NH+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164873534 721159396 /nfs/dbraw/zinc/15/93/96/721159396.db2.gz INHIJPPKBYLYEU-YADHBBJMSA-N 2 0 393.535 2.551 20 0 GFADRP O=C(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1Br ZINC000151315375 551411586 /nfs/dbraw/zinc/41/15/86/551411586.db2.gz HHARYXOANMIBPF-UHFFFAOYSA-N 2 0 389.297 2.995 20 0 GFADRP C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000162509077 551608898 /nfs/dbraw/zinc/60/88/98/551608898.db2.gz ZPUFPYJCZYIEKR-CQSZACIVSA-N 2 0 381.318 2.764 20 0 GFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000231676350 553066346 /nfs/dbraw/zinc/06/63/46/553066346.db2.gz LTIPVRMIPJPKTN-UHFFFAOYSA-N 2 0 380.124 2.879 20 0 GFADRP C[C@H](O)CC[NH+](C)Cc1cc(Br)ccc1C[N@@H+](C)CC[C@H](C)O ZINC000248846501 553135713 /nfs/dbraw/zinc/13/57/13/553135713.db2.gz AUJKOYUYRVSDBO-GJZGRUSLSA-N 2 0 387.362 2.855 20 0 GFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000261684266 553155711 /nfs/dbraw/zinc/15/57/11/553155711.db2.gz NABIKDPJOLWUFG-YJBOKZPZSA-N 2 0 394.357 2.838 20 0 GFADRP C[C@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1cccc(Br)c1 ZINC000262034353 553164852 /nfs/dbraw/zinc/16/48/52/553164852.db2.gz OJFRIODNRLYNDG-RHSMWYFYSA-N 2 0 382.346 2.872 20 0 GFADRP CC1CC[NH+]([C@H](CNC(=O)c2csc(CC[NH3+])n2)c2cccs2)CC1 ZINC000262314418 553169363 /nfs/dbraw/zinc/16/93/63/553169363.db2.gz BBLHWVSTSBYKTQ-OAHLLOKOSA-N 2 0 378.567 2.909 20 0 GFADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1csc(CC[NH3+])n1 ZINC000262330029 553169368 /nfs/dbraw/zinc/16/93/68/553169368.db2.gz FCKKZONLLLTEOH-UHFFFAOYSA-N 2 0 376.551 2.754 20 0 GFADRP C[C@H](C[NH3+])CNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000418480010 563218684 /nfs/dbraw/zinc/21/86/84/563218684.db2.gz BYXQPXNWJAMQNE-CQSZACIVSA-N 2 0 397.361 2.650 20 0 GFADRP C[C@@H]([NH2+]CCC(C)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000297241223 563320807 /nfs/dbraw/zinc/32/08/07/563320807.db2.gz INGKHTGLQVQETO-CQSZACIVSA-N 2 0 377.501 2.613 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccc(Br)s2)CC[NH2+]CC1 ZINC000422710214 563348209 /nfs/dbraw/zinc/34/82/09/563348209.db2.gz FIKPHFOARYONBA-GFCCVEGCSA-N 2 0 389.359 2.964 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422789670 563350130 /nfs/dbraw/zinc/35/01/30/563350130.db2.gz BKVHAJXOMVAFRG-BVPBIZIASA-N 2 0 383.330 2.963 20 0 GFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422780339 563350198 /nfs/dbraw/zinc/35/01/98/563350198.db2.gz CYCMEEAJPYBCLU-SJORKVTESA-N 2 0 385.599 2.715 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000423092707 563354362 /nfs/dbraw/zinc/35/43/62/563354362.db2.gz DBYLFRZCOKOEDQ-CZUORRHYSA-N 2 0 390.309 2.956 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(Br)c1 ZINC000423467291 563361309 /nfs/dbraw/zinc/36/13/09/563361309.db2.gz XJXWIYZFHKXIKR-ONUMYQOESA-N 2 0 398.320 2.886 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)c(F)c1 ZINC000423465528 563361444 /nfs/dbraw/zinc/36/14/44/563361444.db2.gz WOHHEDIEXKAGFA-LSKLOWJMSA-N 2 0 398.320 2.886 20 0 GFADRP Cc1cn2c(n1)[C@H](C[NH2+]Cc1ncc(I)s1)CCC2 ZINC000375786795 563418578 /nfs/dbraw/zinc/41/85/78/563418578.db2.gz FRYZCRWQLKECEU-JTQLQIEISA-N 2 0 388.278 2.920 20 0 GFADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637938 563546580 /nfs/dbraw/zinc/54/65/80/563546580.db2.gz DSVKLVSPPXVDHO-GDBMZVCRSA-N 2 0 380.330 2.654 20 0 GFADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000430966245 563551075 /nfs/dbraw/zinc/55/10/75/563551075.db2.gz OGXNYCGKNNVILR-KGLIPLIRSA-N 2 0 382.346 2.855 20 0 GFADRP CCN1CC[NH+](CCCCNCc2nc3ccccn3c2Br)CC1 ZINC000289219752 563672396 /nfs/dbraw/zinc/67/23/96/563672396.db2.gz JFMRVGFSPXKAJY-UHFFFAOYSA-N 2 0 394.361 2.604 20 0 GFADRP COc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1Br ZINC000289400106 563673619 /nfs/dbraw/zinc/67/36/19/563673619.db2.gz GKMDPNJFXBOCTC-UHFFFAOYSA-N 2 0 396.373 2.917 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000414996859 563755969 /nfs/dbraw/zinc/75/59/69/563755969.db2.gz GUPZMIKAEOIVHL-RHSMWYFYSA-N 2 0 382.346 2.893 20 0 GFADRP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415049704 563757635 /nfs/dbraw/zinc/75/76/35/563757635.db2.gz XWPSVPHFGQCXOE-UKRRQHHQSA-N 2 0 399.329 2.916 20 0 GFADRP [NH3+]CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000415997222 563801863 /nfs/dbraw/zinc/80/18/63/563801863.db2.gz RBPRTBPJOFFQJK-JSGCOSHPSA-N 2 0 378.464 2.539 20 0 GFADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H]1c1cccs1 ZINC000416017229 563802441 /nfs/dbraw/zinc/80/24/41/563802441.db2.gz XXDVFPUVLFZAHW-XBFCOCLRSA-N 2 0 378.464 2.710 20 0 GFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367886429 563858426 /nfs/dbraw/zinc/85/84/26/563858426.db2.gz OPEPUTLTXSOYKS-DJIMGWMZSA-N 2 0 385.350 2.515 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000449597167 564191315 /nfs/dbraw/zinc/19/13/15/564191315.db2.gz DFMAITUSRKIQTN-ZVZYQTTQSA-N 2 0 399.373 2.929 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000449744454 564199562 /nfs/dbraw/zinc/19/95/62/564199562.db2.gz HGWUHFDJZHXFKQ-UHFFFAOYSA-N 2 0 394.361 2.603 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(OC)c(Br)c2)CC1 ZINC000449750293 564199705 /nfs/dbraw/zinc/19/97/05/564199705.db2.gz ILOLQNNNUYPRJT-UHFFFAOYSA-N 2 0 384.362 2.963 20 0 GFADRP C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000565445118 564281141 /nfs/dbraw/zinc/28/11/41/564281141.db2.gz QBWQTKZGRNWNOZ-OAHLLOKOSA-N 2 0 399.377 2.591 20 0 GFADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(C)s1 ZINC000566090929 564308791 /nfs/dbraw/zinc/30/87/91/564308791.db2.gz QDPGNGXVCBWUJU-IXDOHACOSA-N 2 0 385.599 2.544 20 0 GFADRP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc(I)c1OC ZINC000566230164 564318287 /nfs/dbraw/zinc/31/82/87/564318287.db2.gz NDAREJDTVDVIBD-NXEZZACHSA-N 2 0 378.254 2.524 20 0 GFADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000567638505 564381158 /nfs/dbraw/zinc/38/11/58/564381158.db2.gz MBVJTILLEKJXMT-GXTWGEPZSA-N 2 0 378.318 2.988 20 0 GFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)c(I)c1 ZINC000453233617 564449964 /nfs/dbraw/zinc/44/99/64/564449964.db2.gz WPINGWGCTGYCAH-NSHDSACASA-N 2 0 380.245 2.659 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000453387118 564456284 /nfs/dbraw/zinc/45/62/84/564456284.db2.gz WBTCXEXDUNJOIN-KBMXLJTQSA-N 2 0 385.346 2.681 20 0 GFADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000569364027 564461079 /nfs/dbraw/zinc/46/10/79/564461079.db2.gz WZPVTAMQCCGJNF-CYBMUJFWSA-N 2 0 378.929 2.750 20 0 GFADRP O=C(CC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)N1CC[NH2+]CC1 ZINC000516066020 564492535 /nfs/dbraw/zinc/49/25/35/564492535.db2.gz FNCLZJXZYZIQGP-GOSISDBHSA-N 2 0 380.330 2.702 20 0 GFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000552089561 564676665 /nfs/dbraw/zinc/67/66/65/564676665.db2.gz NMUSBVCVLYBRCN-TZMCWYRMSA-N 2 0 394.368 2.592 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000552089559 564676771 /nfs/dbraw/zinc/67/67/71/564676771.db2.gz NMUSBVCVLYBRCN-JSGCOSHPSA-N 2 0 394.368 2.592 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000491856579 564796136 /nfs/dbraw/zinc/79/61/36/564796136.db2.gz GUTSVNMAQSJECF-UHFFFAOYSA-N 2 0 397.361 2.617 20 0 GFADRP Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)sc1Br ZINC000582407979 564845599 /nfs/dbraw/zinc/84/55/99/564845599.db2.gz FZYBPJMCLONNIW-HIFRSBDPSA-N 2 0 386.359 2.555 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000531118778 564902060 /nfs/dbraw/zinc/90/20/60/564902060.db2.gz CEXDCTBHDSHUQP-UHFFFAOYSA-N 2 0 377.476 2.749 20 0 GFADRP O=C1[C@@H]([NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CCN1c1cccc(Br)c1 ZINC000584173058 564924067 /nfs/dbraw/zinc/92/40/67/564924067.db2.gz RGZMFIKXRZYVPF-QAPCUYQASA-N 2 0 392.341 2.876 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000638521138 565200659 /nfs/dbraw/zinc/20/06/59/565200659.db2.gz YPXRHIDHCGFRDD-KRWDZBQOSA-N 2 0 396.373 2.853 20 0 GFADRP COc1nsc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000638681981 565206520 /nfs/dbraw/zinc/20/65/20/565206520.db2.gz QTDHOKKUMRBTPZ-RYUDHWBXSA-N 2 0 392.363 2.893 20 0 GFADRP COc1nsc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1Br ZINC000639381647 565244292 /nfs/dbraw/zinc/24/42/92/565244292.db2.gz GFEVABBTFNVZLA-UHFFFAOYSA-N 2 0 398.330 2.673 20 0 GFADRP NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639706223 565255172 /nfs/dbraw/zinc/25/51/72/565255172.db2.gz WVKZPOJMKWIJDQ-QGZVFWFLSA-N 2 0 389.297 2.583 20 0 GFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000644533247 565480816 /nfs/dbraw/zinc/48/08/16/565480816.db2.gz JLDSAOICTWYIBD-KRWDZBQOSA-N 2 0 385.346 2.900 20 0 GFADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000645195640 565516916 /nfs/dbraw/zinc/51/69/16/565516916.db2.gz QWFVLTUZCBCPCZ-LBPRGKRZSA-N 2 0 398.320 2.982 20 0 GFADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)CC[C@@H]21 ZINC000646249008 565591624 /nfs/dbraw/zinc/59/16/24/565591624.db2.gz BFEFFCAOOQGAOQ-SKDZVZGDSA-N 2 0 380.330 2.566 20 0 GFADRP COc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1O ZINC000650707365 565832734 /nfs/dbraw/zinc/83/27/34/565832734.db2.gz DQHRPTAXRZFISI-RVSPLBMKSA-N 2 0 399.329 2.882 20 0 GFADRP O=S1(=O)CC[C@@H]([NH2+]CCC2CC[NH2+]CC2)c2cc(Br)ccc21 ZINC000650762481 565834359 /nfs/dbraw/zinc/83/43/59/565834359.db2.gz BKQWAAYHTNDRAL-OAHLLOKOSA-N 2 0 387.343 2.647 20 0 GFADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361695 565923976 /nfs/dbraw/zinc/92/39/76/565923976.db2.gz MQBKAFNWIBRWGK-FVQBIDKESA-N 2 0 385.961 2.721 20 0 GFADRP COc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c(F)cc1Br ZINC000631064499 565937091 /nfs/dbraw/zinc/93/70/91/565937091.db2.gz NSQYYSBRRDSRIQ-UHFFFAOYSA-N 2 0 388.325 2.714 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679330839 566038360 /nfs/dbraw/zinc/03/83/60/566038360.db2.gz USEVDGSTEDZVCE-RBUKOAKNSA-N 2 0 396.373 2.896 20 0 GFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000655805177 566089698 /nfs/dbraw/zinc/08/96/98/566089698.db2.gz KAIXUSVWRJMUOE-LNSITVRQSA-N 2 0 387.343 2.597 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656860575 566169855 /nfs/dbraw/zinc/16/98/55/566169855.db2.gz HRAMSBZNKQVNFB-UHFFFAOYSA-N 2 0 393.956 2.514 20 0 GFADRP Brc1cccc(OCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000613440767 566198154 /nfs/dbraw/zinc/19/81/54/566198154.db2.gz KHPKCSBPSKLZFV-UHFFFAOYSA-N 2 0 383.330 2.872 20 0 GFADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000821794883 606215897 /nfs/dbraw/zinc/21/58/97/606215897.db2.gz OXXZVMQWQOPAGD-UHFFFAOYSA-N 2 0 398.536 2.939 20 0 GFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576286 660201197 /nfs/dbraw/zinc/20/11/97/660201197.db2.gz PLBMDYOYAGBOQO-AWEZNQCLSA-N 2 0 387.391 2.972 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000817891926 660211648 /nfs/dbraw/zinc/21/16/48/660211648.db2.gz QBBLTEXGCAOYCR-GFCCVEGCSA-N 2 0 387.293 2.999 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000817906207 660211921 /nfs/dbraw/zinc/21/19/21/660211921.db2.gz YLPQBMLMYYEPPQ-BLLLJJGKSA-N 2 0 389.323 2.938 20 0 GFADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCCO1 ZINC000819265333 660252714 /nfs/dbraw/zinc/25/27/14/660252714.db2.gz NHFPKICHAMZFSK-SUMWQHHRSA-N 2 0 389.309 2.712 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)COC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000827459134 660497422 /nfs/dbraw/zinc/49/74/22/660497422.db2.gz GPVFIXQWPDLGDI-QGZVFWFLSA-N 2 0 388.339 2.823 20 0 GFADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1I)N1CC[NH+](C)CC1 ZINC000268922799 654991362 /nfs/dbraw/zinc/99/13/62/654991362.db2.gz WYKSKUBTZQMJPJ-KBPBESRZSA-N 2 0 387.309 2.578 20 0 GFADRP Cc1cnc(CC[NH+](C)CCOCC[N@@H+](C)CCc2ncc(C)s2)s1 ZINC000270176609 655036208 /nfs/dbraw/zinc/03/62/08/655036208.db2.gz UXPVQVQNWRSVGA-UHFFFAOYSA-N 2 0 382.599 2.882 20 0 GFADRP O[C@@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)C[NH+]1CCCC1 ZINC000276177227 655265968 /nfs/dbraw/zinc/26/59/68/655265968.db2.gz UKMNHXODXVLEGH-RBUKOAKNSA-N 2 0 397.357 2.963 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178415193 655303224 /nfs/dbraw/zinc/30/32/24/655303224.db2.gz AEBUAHACQFPJPN-KRWDZBQOSA-N 2 0 382.346 2.890 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418327194 655405443 /nfs/dbraw/zinc/40/54/43/655405443.db2.gz YYJQIEFEMCYBCC-INIZCTEOSA-N 2 0 397.361 2.522 20 0 GFADRP C[C@H](Sc1nc2ccccc2s1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000762982438 656067673 /nfs/dbraw/zinc/06/76/73/656067673.db2.gz VPQBUJSVUYQDFV-AWEZNQCLSA-N 2 0 380.583 2.729 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000855346312 661987315 /nfs/dbraw/zinc/98/73/15/661987315.db2.gz WBCLDQDSLIIQES-NSHDSACASA-N 2 0 380.842 2.756 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000870951849 662711265 /nfs/dbraw/zinc/71/12/65/662711265.db2.gz WWEIWNXKFACOIS-RDJZCZTQSA-N 2 0 380.330 2.687 20 0 GFADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000872152204 662757041 /nfs/dbraw/zinc/75/70/41/662757041.db2.gz OYYFSJPZKBUTPM-ZWNOBZJWSA-N 2 0 394.235 2.847 20 0 GFADRP COc1cc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)ccc1S(=O)(=O)C(F)F ZINC000873240009 662804456 /nfs/dbraw/zinc/80/44/56/662804456.db2.gz ICOVLACCHJTBEG-YRGRVCCFSA-N 2 0 376.469 2.860 20 0 GFADRP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Br)c1 ZINC000876979315 662869100 /nfs/dbraw/zinc/86/91/00/662869100.db2.gz AZIWDTBFSZPMPS-PBHICJAKSA-N 2 0 380.330 2.687 20 0 GFADRP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000879055916 662914872 /nfs/dbraw/zinc/91/48/72/662914872.db2.gz HYIIYYMHEAPGQR-GDBMZVCRSA-N 2 0 394.357 2.837 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000884224582 663067229 /nfs/dbraw/zinc/06/72/29/663067229.db2.gz SPFWEIJQCBJICK-DLBZAZTESA-N 2 0 380.330 2.926 20 0 GFADRP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000884422559 663070494 /nfs/dbraw/zinc/07/04/94/663070494.db2.gz ZUVCCCMQUOBCKW-PBHICJAKSA-N 2 0 380.330 2.687 20 0 GFADRP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cccc(SC(F)(F)F)c1 ZINC000886930008 663125101 /nfs/dbraw/zinc/12/51/01/663125101.db2.gz NGIIHEBAYKDPGO-HIFRSBDPSA-N 2 0 377.476 2.557 20 0 GFADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H]2C[C@]2(C)Br)CC1 ZINC000891786919 663350264 /nfs/dbraw/zinc/35/02/64/663350264.db2.gz PPLAILRFKIJYBF-QAPCUYQASA-N 2 0 388.394 2.576 20 0 GFADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000893359649 663408331 /nfs/dbraw/zinc/40/83/31/663408331.db2.gz BQXYONZPUALJNT-UHFFFAOYSA-N 2 0 397.361 2.523 20 0 GFADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000893977898 663435049 /nfs/dbraw/zinc/43/50/49/663435049.db2.gz MZQLBHGAXCDPOY-UHFFFAOYSA-N 2 0 380.945 2.840 20 0 GFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2C[C@]2(C)Br)CC1 ZINC000894451165 663462471 /nfs/dbraw/zinc/46/24/71/663462471.db2.gz DHICWUUHMSLRIP-AEFFLSMTSA-N 2 0 388.394 2.720 20 0 GFADRP Clc1nc(N2CCOCC2)sc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000895352959 663509788 /nfs/dbraw/zinc/50/97/88/663509788.db2.gz UIVCXPYGAHHCPV-UHFFFAOYSA-N 2 0 384.977 2.845 20 0 GFADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956429 663813670 /nfs/dbraw/zinc/81/36/70/663813670.db2.gz LOLHVPNMGPLRGF-NEPJUHHUSA-N 2 0 375.847 2.900 20 0 GFADRP Cc1cc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388201 664598183 /nfs/dbraw/zinc/59/81/83/664598183.db2.gz CVVGPDPHFLZRIE-BRSBDYLESA-N 2 0 382.346 2.722 20 0 GFADRP C[NH2+]CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923288843 664627591 /nfs/dbraw/zinc/62/75/91/664627591.db2.gz COWCHTKXPURQBF-CQSZACIVSA-N 2 0 391.737 2.774 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H](O)COc1cc(Cl)ccc1Cl)CC2 ZINC000923438660 664630566 /nfs/dbraw/zinc/63/05/66/664630566.db2.gz BGMMESKQFRRRGS-GJZGRUSLSA-N 2 0 389.323 2.563 20 0 GFADRP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923456260 664630898 /nfs/dbraw/zinc/63/08/98/664630898.db2.gz XBIJXFXZJDMMTR-XJKSGUPXSA-N 2 0 396.329 2.606 20 0 GFADRP O=C1O[C@H](C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC12CC[NH2+]CC2 ZINC000925856846 664676387 /nfs/dbraw/zinc/67/63/87/664676387.db2.gz XQVAUURJXRNDJM-NHYWBVRUSA-N 2 0 397.288 2.850 20 0 GFADRP O=C1O[C@H](C[NH2+][C@@H]2CCc3c2cccc3Br)CC12CC[NH2+]CC2 ZINC000925859068 664676389 /nfs/dbraw/zinc/67/63/89/664676389.db2.gz VMCOMAFORRNIDD-BLLLJJGKSA-N 2 0 379.298 2.711 20 0 GFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164815218 720198280 /nfs/dbraw/zinc/19/82/80/720198280.db2.gz XDQHSKWZBPZHGI-GMAHTHKFSA-N 2 0 384.568 2.862 20 0 GFADRP C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2)CC1 ZINC001164725324 720472244 /nfs/dbraw/zinc/47/22/44/720472244.db2.gz JOYIALITIRMLHC-VXKWHMMOSA-N 2 0 393.535 2.803 20 0 GFADRP C[N@H+](Cc1ccc(N2CC[NH+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164873529 721159164 /nfs/dbraw/zinc/15/91/64/721159164.db2.gz INHIJPPKBYLYEU-FCHUYYIVSA-N 2 0 393.535 2.551 20 0 GFADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3C[NH3+])C2)C1 ZINC001164780851 721361635 /nfs/dbraw/zinc/36/16/35/721361635.db2.gz IEGGDAFAQDRTEL-QFIPXVFZSA-N 2 0 399.539 2.573 20 0 GFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CC[NH2+]C4)C[C@H]21 ZINC001165019647 721803028 /nfs/dbraw/zinc/80/30/28/721803028.db2.gz DKUWNWJFFNJYGF-CZTZKLFOSA-N 2 0 377.536 2.859 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Br)c(O)c1 ZINC000164261585 551624776 /nfs/dbraw/zinc/62/47/76/551624776.db2.gz IKZWDFPDULIEFM-UHFFFAOYSA-N 2 0 386.334 2.500 20 0 GFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261746836 553157934 /nfs/dbraw/zinc/15/79/34/553157934.db2.gz MGDXRZAAYICUHF-KBXCAEBGSA-N 2 0 382.346 2.813 20 0 GFADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261761706 553158523 /nfs/dbraw/zinc/15/85/23/553158523.db2.gz JTQUTVIRKPFEKW-BEFAXECRSA-N 2 0 394.357 2.813 20 0 GFADRP C[C@@]([NH3+])(C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccc(Br)cc1 ZINC000261852913 553161370 /nfs/dbraw/zinc/16/13/70/553161370.db2.gz QQSMNJKANOWNDI-SFHVURJKSA-N 2 0 390.281 2.744 20 0 GFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423445474 563361293 /nfs/dbraw/zinc/36/12/93/563361293.db2.gz XWJZEMBIESYJGS-SMDDNHRTSA-N 2 0 375.332 2.775 20 0 GFADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418584580 563220680 /nfs/dbraw/zinc/22/06/80/563220680.db2.gz CFRIFFVPGKOHPI-RHSMWYFYSA-N 2 0 397.361 2.520 20 0 GFADRP C[C@@H](CCC[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418693476 563222542 /nfs/dbraw/zinc/22/25/42/563222542.db2.gz UMQUXIDBNQIYCQ-AWEZNQCLSA-N 2 0 385.350 2.650 20 0 GFADRP CS(=O)(=O)c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000297293857 563323088 /nfs/dbraw/zinc/32/30/88/563323088.db2.gz ADOLMPBAMBOEJS-UHFFFAOYSA-N 2 0 379.913 2.897 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422871436 563350053 /nfs/dbraw/zinc/35/00/53/563350053.db2.gz CVWVZETVISOPPF-OLZOCXBDSA-N 2 0 380.842 2.676 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422906259 563350782 /nfs/dbraw/zinc/35/07/82/563350782.db2.gz JJXHYDUSLIEGEX-SUMWQHHRSA-N 2 0 398.345 2.698 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422951443 563351415 /nfs/dbraw/zinc/35/14/15/563351415.db2.gz YOCKZHIVZADEIL-KRWDZBQOSA-N 2 0 385.346 2.841 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000423057455 563354146 /nfs/dbraw/zinc/35/41/46/563354146.db2.gz ZTQIFNXNRVPJCR-YOEHRIQHSA-N 2 0 398.345 2.596 20 0 GFADRP Brc1cnn(CCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423129329 563357150 /nfs/dbraw/zinc/35/71/50/563357150.db2.gz QZQSTEOIQBFKMK-SJLPKXTDSA-N 2 0 391.313 2.881 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423194080 563358860 /nfs/dbraw/zinc/35/88/60/563358860.db2.gz WHNLCSCMHWHIRR-SFHVURJKSA-N 2 0 384.362 2.757 20 0 GFADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Br)c1 ZINC000423394868 563360069 /nfs/dbraw/zinc/36/00/69/563360069.db2.gz SHDQXOOKTYWLLK-BXUZGUMPSA-N 2 0 380.252 2.936 20 0 GFADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCc2c1cccc2Br)N1CC[NH2+]CC1 ZINC000423387002 563360373 /nfs/dbraw/zinc/36/03/73/563360373.db2.gz LVSYKGLWXTUDGJ-CABCVRRESA-N 2 0 392.263 2.862 20 0 GFADRP COc1cc2[nH+]ccc(NCC3([NH+](C)C)CCOCC3)c2cc1Br ZINC000425220944 563412730 /nfs/dbraw/zinc/41/27/30/563412730.db2.gz DFPYLOWYBHEQSO-UHFFFAOYSA-N 2 0 394.313 2.951 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cscc1Br ZINC000404779176 563536817 /nfs/dbraw/zinc/53/68/17/563536817.db2.gz VDPSVXYIURDTHE-UHFFFAOYSA-N 2 0 376.364 2.856 20 0 GFADRP CN(Cc1cc(Br)ccc1F)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140724 563604160 /nfs/dbraw/zinc/60/41/60/563604160.db2.gz JJKDMNZRMMPCCW-UHFFFAOYSA-N 2 0 386.309 2.750 20 0 GFADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000414206207 563722454 /nfs/dbraw/zinc/72/24/54/563722454.db2.gz XZQJVDMGSAWXHH-MRXNPFEDSA-N 2 0 396.373 2.896 20 0 GFADRP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414984075 563755986 /nfs/dbraw/zinc/75/59/86/563755986.db2.gz FUFOZKZFYSWSKQ-WBVHZDCISA-N 2 0 386.323 2.738 20 0 GFADRP COc1ccc(Br)cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415061502 563757916 /nfs/dbraw/zinc/75/79/16/563757916.db2.gz YGWAHQSFRRZLGO-UHFFFAOYSA-N 2 0 382.346 2.764 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)cs1 ZINC000505806210 564190749 /nfs/dbraw/zinc/19/07/49/564190749.db2.gz DKBUXKADAXQVKB-AWEZNQCLSA-N 2 0 388.375 2.999 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449681568 564195704 /nfs/dbraw/zinc/19/57/04/564195704.db2.gz MCAGDCGOMRWKSK-BMGDILEWSA-N 2 0 397.357 2.825 20 0 GFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000564823213 564250707 /nfs/dbraw/zinc/25/07/07/564250707.db2.gz WMVDVPSYQVTPRL-GVDBMIGSSA-N 2 0 385.599 2.802 20 0 GFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(I)cc2)[C@@H](C)C1 ZINC000511053830 564354855 /nfs/dbraw/zinc/35/48/55/564354855.db2.gz ZNJRDXJDAWZIQQ-XJKSGUPXSA-N 2 0 388.293 2.990 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000453384948 564455948 /nfs/dbraw/zinc/45/59/48/564455948.db2.gz UJOPCSWSNDIAND-JLJPHGGASA-N 2 0 385.346 2.539 20 0 GFADRP CC[NH+](CC)CCS(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000514954124 564463548 /nfs/dbraw/zinc/46/35/48/564463548.db2.gz QBMULQSCUHNNEW-KRWDZBQOSA-N 2 0 387.615 2.782 20 0 GFADRP CC(C)[C@](C)([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(Br)cc1 ZINC000484341532 564586555 /nfs/dbraw/zinc/58/65/55/564586555.db2.gz OHFWKIRIWZYKGA-SFHVURJKSA-N 2 0 382.346 2.684 20 0 GFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000574417292 564673364 /nfs/dbraw/zinc/67/33/64/564673364.db2.gz BHZUXGZOKDWPTR-WBVHZDCISA-N 2 0 380.374 2.922 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(F)c1Br ZINC000525958598 564713475 /nfs/dbraw/zinc/71/34/75/564713475.db2.gz VXHTYWCAFRIIMC-UHFFFAOYSA-N 2 0 393.276 2.684 20 0 GFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCn1cc(Br)cn1 ZINC000579638293 564750065 /nfs/dbraw/zinc/75/00/65/564750065.db2.gz NIIVUWMSFHEVPU-UHFFFAOYSA-N 2 0 375.274 2.715 20 0 GFADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000527954495 564765202 /nfs/dbraw/zinc/76/52/02/564765202.db2.gz ZSAZBQSSKSBEPU-RHSMWYFYSA-N 2 0 382.346 2.996 20 0 GFADRP Cc1nc(C(F)(F)F)sc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000462138604 564822845 /nfs/dbraw/zinc/82/28/45/564822845.db2.gz LVWHWXNCTUDXIW-UHFFFAOYSA-N 2 0 380.480 2.816 20 0 GFADRP CSC1(CNC(=O)N(CC[NH+](C)C)Cc2cccs2)CC[NH+](C)CC1 ZINC000462514567 564845252 /nfs/dbraw/zinc/84/52/52/564845252.db2.gz QMRPTUGGQHUSHE-UHFFFAOYSA-N 2 0 384.615 2.649 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000638521139 565200829 /nfs/dbraw/zinc/20/08/29/565200829.db2.gz YPXRHIDHCGFRDD-QGZVFWFLSA-N 2 0 396.373 2.853 20 0 GFADRP CCCn1ccnc1CCC[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639175879 565229638 /nfs/dbraw/zinc/22/96/38/565229638.db2.gz ARTJIFYZYVNHRG-UHFFFAOYSA-N 2 0 384.933 2.659 20 0 GFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000662324428 565360922 /nfs/dbraw/zinc/36/09/22/565360922.db2.gz XSBZQGSJWLNVCY-QGZVFWFLSA-N 2 0 398.345 2.820 20 0 GFADRP Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1Cl ZINC000642375582 565412555 /nfs/dbraw/zinc/41/25/55/565412555.db2.gz CWFOAIJCJZCQFJ-UHFFFAOYSA-N 2 0 375.966 2.543 20 0 GFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632303 565485975 /nfs/dbraw/zinc/48/59/75/565485975.db2.gz WIYPOGKDEVDGBV-CABCVRRESA-N 2 0 391.339 2.824 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000647185414 565645038 /nfs/dbraw/zinc/64/50/38/565645038.db2.gz ATJKNFZNRXZNKQ-UHFFFAOYSA-N 2 0 379.245 2.597 20 0 GFADRP Cc1cc(CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ncc1Br ZINC000600120305 565715185 /nfs/dbraw/zinc/71/51/85/565715185.db2.gz JLCPEBKIJZQWDU-QGZVFWFLSA-N 2 0 381.362 2.753 20 0 GFADRP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1cc(F)c(Br)cc1F ZINC000629650803 565865118 /nfs/dbraw/zinc/86/51/18/565865118.db2.gz FDKINWDAHNKRMS-MNOVXSKESA-N 2 0 390.272 2.575 20 0 GFADRP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000652352603 565922641 /nfs/dbraw/zinc/92/26/41/565922641.db2.gz DHWORYWZTTYGHA-OWQGQXMQSA-N 2 0 378.314 2.615 20 0 GFADRP C[NH+](C)CCCC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736759478 598562009 /nfs/dbraw/zinc/56/20/09/598562009.db2.gz SCWWKIHEVKPGSB-UHFFFAOYSA-N 2 0 380.496 2.877 20 0 GFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820426485 599375310 /nfs/dbraw/zinc/37/53/10/599375310.db2.gz KNZUKPIQXJGWSZ-INIZCTEOSA-N 2 0 380.496 2.700 20 0 GFADRP C[NH+](C)CCCC1CC[NH+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)CC1 ZINC000825860835 608269500 /nfs/dbraw/zinc/26/95/00/608269500.db2.gz YBMDLPHFHJXSIZ-UHFFFAOYSA-N 2 0 394.527 2.742 20 0 GFADRP c1cc(-c2nn[nH]n2)sc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000826518028 608429827 /nfs/dbraw/zinc/42/98/27/608429827.db2.gz YZESCJHDLZZBTK-UHFFFAOYSA-N 2 0 398.536 2.735 20 0 GFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824984988 609138451 /nfs/dbraw/zinc/13/84/51/609138451.db2.gz QAHSWCORUOUSAE-ZNMIVQPWSA-N 2 0 376.480 2.546 20 0 GFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577523 609150939 /nfs/dbraw/zinc/15/09/39/609150939.db2.gz MCKGFJVGUDGRLJ-AWEZNQCLSA-N 2 0 381.459 2.968 20 0 GFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825859150 609359429 /nfs/dbraw/zinc/35/94/29/609359429.db2.gz CZKUDDUVMVYZHX-UHFFFAOYSA-N 2 0 393.333 2.793 20 0 GFADRP O=C(CC[C@@H]1CC1(Cl)Cl)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000824895411 660404421 /nfs/dbraw/zinc/40/44/21/660404421.db2.gz WMWGXDRBQCGZDV-OAHLLOKOSA-N 2 0 385.339 2.684 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000064377928 654867423 /nfs/dbraw/zinc/86/74/23/654867423.db2.gz KJUOFUCGADWGMS-IRXDYDNUSA-N 2 0 380.627 2.909 20 0 GFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1I ZINC000268922808 654991359 /nfs/dbraw/zinc/99/13/59/654991359.db2.gz WYKSKUBTZQMJPJ-UONOGXRCSA-N 2 0 387.309 2.578 20 0 GFADRP C[NH+]1CCN(CCC[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000102543019 655056087 /nfs/dbraw/zinc/05/60/87/655056087.db2.gz MZCHOLIZAHWRIO-UHFFFAOYSA-N 2 0 392.288 2.778 20 0 GFADRP Cc1cc(Br)cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c1OC(F)F ZINC000272346883 655109871 /nfs/dbraw/zinc/10/98/71/655109871.db2.gz ULGCBBJCMABDFA-UHFFFAOYSA-N 2 0 393.272 2.905 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccncc1Br ZINC000272645720 655118107 /nfs/dbraw/zinc/11/81/07/655118107.db2.gz FLHJDFSIBQESRW-AWEZNQCLSA-N 2 0 398.349 2.724 20 0 GFADRP C[N@H+](CC1CC[NH+](C)CC1)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000839990140 661122586 /nfs/dbraw/zinc/12/25/86/661122586.db2.gz CYPOZUNDJJHFND-SFHVURJKSA-N 2 0 394.357 2.996 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418327195 655405541 /nfs/dbraw/zinc/40/55/41/655405541.db2.gz YYJQIEFEMCYBCC-MRXNPFEDSA-N 2 0 397.361 2.522 20 0 GFADRP O=C(Nc1ccc(Br)cn1)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000579839345 655504666 /nfs/dbraw/zinc/50/46/66/655504666.db2.gz TZPNGRNXSHGTNL-AWEZNQCLSA-N 2 0 395.345 2.884 20 0 GFADRP C[NH+](C)CCCNC(=S)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000730156423 655572000 /nfs/dbraw/zinc/57/20/00/655572000.db2.gz KKOHKDCFVHRKIX-UHFFFAOYSA-N 2 0 383.005 2.968 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)C[C@H]1C[NH+](C)C ZINC000870024558 662671630 /nfs/dbraw/zinc/67/16/30/662671630.db2.gz SCRZBIFYWQRKEG-VXGBXAGGSA-N 2 0 376.303 2.944 20 0 GFADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000870994148 662712384 /nfs/dbraw/zinc/71/23/84/662712384.db2.gz NWKDONDUQDSTAQ-QZTJIDSGSA-N 2 0 382.346 2.847 20 0 GFADRP CCOP(=O)(CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)OCC ZINC000876781575 662866284 /nfs/dbraw/zinc/86/62/84/662866284.db2.gz IBKZSSXYDSFCSM-ROUUACIJSA-N 2 0 375.494 2.600 20 0 GFADRP C[NH+](C)C[C@@H]1CN(Cc2ncc(Br)cc2Cl)C[C@H]1C[NH+](C)C ZINC000877670641 662881385 /nfs/dbraw/zinc/88/13/85/662881385.db2.gz NZJFRYCKZWISJC-CHWSQXEVSA-N 2 0 389.769 2.669 20 0 GFADRP CC(=O)c1ccc(Br)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000880806248 662972957 /nfs/dbraw/zinc/97/29/57/662972957.db2.gz BZBJMLMJDCHCAZ-UHFFFAOYSA-N 2 0 399.333 2.609 20 0 GFADRP C[NH+]1CCC2(CCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)CC2)CC1 ZINC000884460549 663071082 /nfs/dbraw/zinc/07/10/82/663071082.db2.gz CZIOXSSBWOHSRE-MRXNPFEDSA-N 2 0 380.330 2.783 20 0 GFADRP Cn1nc(Br)nc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000894210743 663449082 /nfs/dbraw/zinc/44/90/82/663449082.db2.gz JMWFEKPGJRPHDL-UHFFFAOYSA-N 2 0 384.347 2.641 20 0 GFADRP COc1ccc([C@@H](C)[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1Br ZINC000903920352 663811677 /nfs/dbraw/zinc/81/16/77/663811677.db2.gz IMQWSSPWPKMAJL-OCCSQVGLSA-N 2 0 394.317 2.825 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CCc3cc(Br)ccc32)cnn1C ZINC000903925264 663812018 /nfs/dbraw/zinc/81/20/18/663812018.db2.gz MTPBKTZOKSPKEH-FZKQIMNGSA-N 2 0 377.330 2.886 20 0 GFADRP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1CC[NH3+] ZINC000903978128 663814594 /nfs/dbraw/zinc/81/45/94/663814594.db2.gz FZGXOCZRCGXLMJ-HUUCEWRRSA-N 2 0 382.346 2.702 20 0 GFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(Oc3ccccc3I)CC2)C1 ZINC000904342557 663831065 /nfs/dbraw/zinc/83/10/65/663831065.db2.gz KNJAVLBKELVMBK-BETUJISGSA-N 2 0 386.277 2.872 20 0 GFADRP Brc1ccc(-c2ncc(CN3CC[NH2+]CC[NH2+]CC3)s2)cc1 ZINC000904396670 663832770 /nfs/dbraw/zinc/83/27/70/663832770.db2.gz MJIKRGNOUTZGIO-UHFFFAOYSA-N 2 0 381.343 2.567 20 0 GFADRP [NH3+]CCc1ccc(CNC(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)cc1 ZINC000911736077 664254722 /nfs/dbraw/zinc/25/47/22/664254722.db2.gz HLCCLQHXGOKLIB-SFHVURJKSA-N 2 0 390.325 2.527 20 0 GFADRP Cc1c(Br)cncc1C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922388428 664598068 /nfs/dbraw/zinc/59/80/68/664598068.db2.gz DWJFCTIHMXREBG-BDXSIMOUSA-N 2 0 382.346 2.722 20 0 GFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@@H](O)c3cccc(Br)c3)CC2)C1 ZINC000923380170 664629193 /nfs/dbraw/zinc/62/91/93/664629193.db2.gz VYDHTAFZVLPDAU-KURKYZTESA-N 2 0 383.330 2.701 20 0 GFADRP Brc1ccc(-c2nc(CN3CC[NH2+]CC[NH2+]CC3)cs2)cc1 ZINC000923461132 664630978 /nfs/dbraw/zinc/63/09/78/664630978.db2.gz ZDFAADPKKMSCIA-UHFFFAOYSA-N 2 0 381.343 2.567 20 0 GFADRP C[C@@H](C[NH2+][C@@H]1CCCc2ncc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000924954455 664664503 /nfs/dbraw/zinc/66/45/03/664664503.db2.gz WFYLZXOYYVLZHG-WMLDXEAASA-N 2 0 381.362 2.695 20 0 GFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000925548232 664673003 /nfs/dbraw/zinc/67/30/03/664673003.db2.gz AOZYIMOPGOEDKA-ZPVISIIKSA-N 2 0 380.330 2.675 20 0 GFADRP O=C1O[C@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)CC12CC[NH2+]CC2 ZINC000925852025 664675994 /nfs/dbraw/zinc/67/59/94/664675994.db2.gz ZAIGHVPEDQONRA-CMPLNLGQSA-N 2 0 385.327 2.773 20 0 GFADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)cc1F ZINC000925851927 664676065 /nfs/dbraw/zinc/67/60/65/664676065.db2.gz TZRJDYZZMDJOHY-WCQYABFASA-N 2 0 385.277 2.924 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164827184 720322896 /nfs/dbraw/zinc/32/28/96/720322896.db2.gz HBOCBGCMROCUQA-VQTJNVASSA-N 2 0 386.540 2.780 20 0 GFADRP CC(C)C(=O)N1CC[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]21 ZINC001164893754 721467296 /nfs/dbraw/zinc/46/72/96/721467296.db2.gz UQRZICDPHRRRBB-XLIONFOSSA-N 2 0 386.540 2.638 20 0 GFADRP c1ccc(N(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)nc1 ZINC001164959726 722051177 /nfs/dbraw/zinc/05/11/77/722051177.db2.gz NKVHENMURBVEMB-VIZSFHNOSA-N 2 0 393.535 2.978 20 0 GFADRP C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000152692444 551437946 /nfs/dbraw/zinc/43/79/46/551437946.db2.gz VNHXJLOBQIEQDR-CQSZACIVSA-N 2 0 382.346 2.889 20 0 GFADRP C[C@H](Cc1cccc(Br)c1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000154142939 551468769 /nfs/dbraw/zinc/46/87/69/551468769.db2.gz YNOGVPFQSCIJEL-OAHLLOKOSA-N 2 0 399.377 2.515 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000156402840 551522260 /nfs/dbraw/zinc/52/22/60/551522260.db2.gz RHEHLBNFDWTYJO-JKIFEVAISA-N 2 0 382.346 2.887 20 0 GFADRP O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000193474418 552994533 /nfs/dbraw/zinc/99/45/33/552994533.db2.gz HPZWZNLLFVWPBY-UHFFFAOYSA-N 2 0 395.345 2.981 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000236942631 553073014 /nfs/dbraw/zinc/07/30/14/553073014.db2.gz QOAFQGPDWDBQBH-UHFFFAOYSA-N 2 0 394.357 2.842 20 0 GFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261885031 553161437 /nfs/dbraw/zinc/16/14/37/553161437.db2.gz ZPWKHAQOBXVNLR-FUHWJXTLSA-N 2 0 382.346 2.956 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000261881253 553161832 /nfs/dbraw/zinc/16/18/32/553161832.db2.gz ZEGSMEDDRNENIE-RDTXWAMCSA-N 2 0 380.330 2.567 20 0 GFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000261982330 553164251 /nfs/dbraw/zinc/16/42/51/553164251.db2.gz RLXQBLPEUQIGQZ-CQSZACIVSA-N 2 0 382.346 2.845 20 0 GFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000370573189 563248494 /nfs/dbraw/zinc/24/84/94/563248494.db2.gz AJNDGYMTLKMKAL-INIZCTEOSA-N 2 0 385.599 2.755 20 0 GFADRP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000420365286 563263048 /nfs/dbraw/zinc/26/30/48/563263048.db2.gz IZKVZKCECZSYOE-QGZVFWFLSA-N 2 0 384.293 2.992 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422906802 563350801 /nfs/dbraw/zinc/35/08/01/563350801.db2.gz KKVSCRCJXXRDOW-PBHICJAKSA-N 2 0 382.346 2.905 20 0 GFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423268275 563359537 /nfs/dbraw/zinc/35/95/37/563359537.db2.gz FTFGFLPNOBMHLB-WDEREUQCSA-N 2 0 380.341 2.681 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[N@H+](CCO)C[C@H]3C)c2cc1Br ZINC000425269373 563416496 /nfs/dbraw/zinc/41/64/96/563416496.db2.gz RBMOOXCCMGHZBR-GFCCVEGCSA-N 2 0 380.286 2.509 20 0 GFADRP Brc1cccc(-c2noc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c1 ZINC000323986703 563451446 /nfs/dbraw/zinc/45/14/46/563451446.db2.gz JXYAGOJFDNYUSR-OKILXGFUSA-N 2 0 377.286 2.931 20 0 GFADRP CC[NH+]1CCN([C@@H]2CCN(Cc3nc4cc(Br)ccc4o3)C2)CC1 ZINC000286194256 563551610 /nfs/dbraw/zinc/55/16/10/563551610.db2.gz AJQUVQMYPJPQMQ-OAHLLOKOSA-N 2 0 393.329 2.802 20 0 GFADRP Cc1cc(Br)cn2cc(CNC(=O)N(C)[C@H]3CCC[NH2+]CC3)nc12 ZINC000333738066 563640677 /nfs/dbraw/zinc/64/06/77/563640677.db2.gz INEKKBRHVRWCMJ-HNNXBMFYSA-N 2 0 394.317 2.689 20 0 GFADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)nc1 ZINC000289762799 563685514 /nfs/dbraw/zinc/68/55/14/563685514.db2.gz NCIYVQOJARVPFM-AWEZNQCLSA-N 2 0 390.329 2.842 20 0 GFADRP C[NH+]1CCC(C[NH2+]Cc2cscc2C(F)(F)F)(N2CCOCC2)CC1 ZINC000414484551 563744158 /nfs/dbraw/zinc/74/41/58/563744158.db2.gz NZRAUHRAEGPWHF-UHFFFAOYSA-N 2 0 377.476 2.653 20 0 GFADRP CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414759384 563752535 /nfs/dbraw/zinc/75/25/35/563752535.db2.gz ODXTYNGIDJTODI-GDBMZVCRSA-N 2 0 394.357 2.783 20 0 GFADRP Brc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cc1Br ZINC000414784445 563753014 /nfs/dbraw/zinc/75/30/14/563753014.db2.gz SHXCFAACKRUZFR-UHFFFAOYSA-N 2 0 391.151 2.597 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]([NH3+])C2CC2)CC1 ZINC000414895498 563753454 /nfs/dbraw/zinc/75/34/54/563753454.db2.gz XRXQZMNPPSPXRU-KRWDZBQOSA-N 2 0 380.330 2.689 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000414940803 563755387 /nfs/dbraw/zinc/75/53/87/563755387.db2.gz KLYPZAPAFHADOH-KBXCAEBGSA-N 2 0 394.357 2.950 20 0 GFADRP COCC1(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[NH2+]CC1 ZINC000414974659 563755526 /nfs/dbraw/zinc/75/55/26/563755526.db2.gz MMPGZJWVHVZMAZ-UHFFFAOYSA-N 2 0 393.329 2.945 20 0 GFADRP COCC1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[NH2+]CC1 ZINC000414981266 563756400 /nfs/dbraw/zinc/75/64/00/563756400.db2.gz WVXBMRNNWAVNBO-UHFFFAOYSA-N 2 0 393.329 2.945 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(C)c1Cl ZINC000538317302 564188228 /nfs/dbraw/zinc/18/82/28/564188228.db2.gz AOJVXRPRVHLPPH-MRXNPFEDSA-N 2 0 387.977 2.685 20 0 GFADRP CN(CC[N@H+](C)CCOc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000540320032 564245400 /nfs/dbraw/zinc/24/54/00/564245400.db2.gz XQAZCLDBGCWRAE-UHFFFAOYSA-N 2 0 384.362 2.786 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)cc1Cl ZINC000508076688 564252461 /nfs/dbraw/zinc/25/24/61/564252461.db2.gz BVWHIZJFZMWEIX-MRXNPFEDSA-N 2 0 387.977 2.685 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1Br ZINC000453380730 564456146 /nfs/dbraw/zinc/45/61/46/564456146.db2.gz RDWGMGHHZMZKJM-JSSFPYSZSA-N 2 0 399.373 2.927 20 0 GFADRP CC[NH+](CC)CCS(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000514954125 564464039 /nfs/dbraw/zinc/46/40/39/564464039.db2.gz QBMULQSCUHNNEW-QGZVFWFLSA-N 2 0 387.615 2.782 20 0 GFADRP Brc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)o1 ZINC000480368630 564470304 /nfs/dbraw/zinc/47/03/04/564470304.db2.gz DKXMKFIKYZKZIP-UHFFFAOYSA-N 2 0 394.317 2.524 20 0 GFADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000547486415 564491016 /nfs/dbraw/zinc/49/10/16/564491016.db2.gz OSOAWBPSLYBUFD-UHFFFAOYSA-N 2 0 394.368 2.640 20 0 GFADRP CN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000571209280 564540616 /nfs/dbraw/zinc/54/06/16/564540616.db2.gz XUJQUHZMEJOXHR-UHFFFAOYSA-N 2 0 380.208 2.828 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccccc1Br ZINC000520507595 564606751 /nfs/dbraw/zinc/60/67/51/564606751.db2.gz IDDGJWNGSWGKNX-QGZVFWFLSA-N 2 0 396.373 2.866 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1cscc1Br ZINC000551063625 564637276 /nfs/dbraw/zinc/63/72/76/564637276.db2.gz XHNMHDCSEPTDCV-UHFFFAOYSA-N 2 0 390.391 2.785 20 0 GFADRP O=S1(=O)CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cc(Br)ccc21 ZINC000573831170 564655997 /nfs/dbraw/zinc/65/59/97/564655997.db2.gz UOPWFMWTBPXOLD-NUEKZKHPSA-N 2 0 399.354 2.645 20 0 GFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527693487 564756086 /nfs/dbraw/zinc/75/60/86/564756086.db2.gz SZDKMOJAZKKMDS-GFCCVEGCSA-N 2 0 376.289 2.843 20 0 GFADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000581305294 564797173 /nfs/dbraw/zinc/79/71/73/564797173.db2.gz BQXSBUSHVABHII-UYSNPLJNSA-N 2 0 389.309 2.790 20 0 GFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cc(Br)cs1 ZINC000493931809 564814043 /nfs/dbraw/zinc/81/40/43/564814043.db2.gz AABDALLXFIEPQC-AWEZNQCLSA-N 2 0 390.391 2.551 20 0 GFADRP Brc1cccc(OCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530239483 564873047 /nfs/dbraw/zinc/87/30/47/564873047.db2.gz GAUKOOZPCYOVLC-GOSISDBHSA-N 2 0 383.330 2.918 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)s1 ZINC000499511991 564929857 /nfs/dbraw/zinc/92/98/57/564929857.db2.gz CWCKOHHQQCVJFL-CYBMUJFWSA-N 2 0 388.375 2.999 20 0 GFADRP [NH3+]CCCOC1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000469852011 565030291 /nfs/dbraw/zinc/03/02/91/565030291.db2.gz FDUXMJUJFLEAOH-UHFFFAOYSA-N 2 0 393.329 2.965 20 0 GFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)cn3)cc2)C1 ZINC000657596852 565111902 /nfs/dbraw/zinc/11/19/02/565111902.db2.gz ZSAMWHVOTCCHFD-SFHVURJKSA-N 2 0 376.298 2.701 20 0 GFADRP C[NH+]1CCC2(CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)CC1 ZINC000639763384 565258397 /nfs/dbraw/zinc/25/83/97/565258397.db2.gz QNFTWBXCDOPOLT-INIZCTEOSA-N 2 0 383.330 2.607 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641050379 565343084 /nfs/dbraw/zinc/34/30/84/565343084.db2.gz CADOEKRLRVSFSU-QGZVFWFLSA-N 2 0 397.361 2.664 20 0 GFADRP C[C@@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642793059 565417381 /nfs/dbraw/zinc/41/73/81/565417381.db2.gz BXRPFJQVWFGWSN-UKRRQHHQSA-N 2 0 385.961 2.730 20 0 GFADRP C[C@H](CC[NH+](C)C)Nc1ncnc(N[C@@H](C)CC[NH+](C)C)c1Br ZINC000663453798 565423337 /nfs/dbraw/zinc/42/33/37/565423337.db2.gz WLMFKHMEEBCSNT-BETUJISGSA-N 2 0 387.370 2.743 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(OC)ccc2Br)CC1 ZINC000663504636 565424462 /nfs/dbraw/zinc/42/44/62/565424462.db2.gz ZSEQMTHJLNVDCM-UHFFFAOYSA-N 2 0 398.345 2.538 20 0 GFADRP C[C@@H](C[NH2+][C@H]1CCc2ccc(I)cc21)N1CC[NH+](C)CC1 ZINC000595012816 565442032 /nfs/dbraw/zinc/44/20/32/565442032.db2.gz OSGNYNSRRJOYIQ-GUYCJALGSA-N 2 0 399.320 2.504 20 0 GFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000644532052 565480707 /nfs/dbraw/zinc/48/07/07/565480707.db2.gz XCVUKBNMRLYSCH-DOTOQJQBSA-N 2 0 385.346 2.899 20 0 GFADRP C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000644563121 565481725 /nfs/dbraw/zinc/48/17/25/565481725.db2.gz MRUWHNRTDUYLAI-CYBMUJFWSA-N 2 0 389.359 2.543 20 0 GFADRP C[NH+](C)CC1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625088541 565597367 /nfs/dbraw/zinc/59/73/67/565597367.db2.gz SNQYELBPICIOCD-QGZVFWFLSA-N 2 0 380.330 2.976 20 0 GFADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000647492841 565661528 /nfs/dbraw/zinc/66/15/28/565661528.db2.gz CRBHFJRQEFISKC-UHFFFAOYSA-N 2 0 380.252 2.805 20 0 GFADRP O=C(NCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000647789302 565676036 /nfs/dbraw/zinc/67/60/36/565676036.db2.gz AMWHJJNOAMPABB-BFYDXBDKSA-N 2 0 380.330 2.547 20 0 GFADRP C[C@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C[NH2+]1 ZINC000627196811 565726072 /nfs/dbraw/zinc/72/60/72/565726072.db2.gz VUSFLTSOLBEFRS-WMLDXEAASA-N 2 0 397.361 2.663 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]21 ZINC000629519374 565857447 /nfs/dbraw/zinc/85/74/47/565857447.db2.gz PWSPYQSLGHODSO-JWDQPFGJSA-N 2 0 378.314 2.762 20 0 GFADRP COc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c(F)cc1Br ZINC000631092089 565939504 /nfs/dbraw/zinc/93/95/04/565939504.db2.gz WOIBZEVDEIFWKL-UHFFFAOYSA-N 2 0 389.309 2.922 20 0 GFADRP C[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821610788 599591971 /nfs/dbraw/zinc/59/19/71/599591971.db2.gz FHHCHOYZXJPVBH-QGZVFWFLSA-N 2 0 380.471 2.960 20 0 GFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824937238 608279848 /nfs/dbraw/zinc/27/98/48/608279848.db2.gz OYPMOHIXMFICJX-OXJNMPFZSA-N 2 0 384.528 2.878 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000819083591 660245852 /nfs/dbraw/zinc/24/58/52/660245852.db2.gz BRKYWWWJVAQOBL-KBXCAEBGSA-N 2 0 383.330 2.573 20 0 GFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCCO1 ZINC000819265244 660252709 /nfs/dbraw/zinc/25/27/09/660252709.db2.gz NHFPKICHAMZFSK-CXAGYDPISA-N 2 0 389.309 2.712 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(F)ccc1Cl ZINC000097549686 655035737 /nfs/dbraw/zinc/03/57/37/655035737.db2.gz RLSSVYRSSVBEDM-OAHLLOKOSA-N 2 0 391.940 2.516 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000145489849 655045636 /nfs/dbraw/zinc/04/56/36/655045636.db2.gz KJUOFUCGADWGMS-DLBZAZTESA-N 2 0 380.627 2.909 20 0 GFADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1Br ZINC000120787729 655344091 /nfs/dbraw/zinc/34/40/91/655344091.db2.gz KRQSELVRXLSIIB-CABCVRRESA-N 2 0 384.362 2.992 20 0 GFADRP Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000575869356 655438885 /nfs/dbraw/zinc/43/88/85/655438885.db2.gz SBOMKPIWJHDPFO-YJBOKZPZSA-N 2 0 394.357 2.838 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000261654235 655441563 /nfs/dbraw/zinc/44/15/63/655441563.db2.gz DRLGRSPYOMBLKC-AEFFLSMTSA-N 2 0 380.330 2.710 20 0 GFADRP C[NH+](C)CC(C)(C)CNC(=S)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000732624434 655599321 /nfs/dbraw/zinc/59/93/21/655599321.db2.gz PTKSFQQGJVESQB-UHFFFAOYSA-N 2 0 386.675 2.790 20 0 GFADRP C[NH+](C)CCCNC(=S)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762460875 656042788 /nfs/dbraw/zinc/04/27/88/656042788.db2.gz KONLGTWNNVNGJQ-WMLDXEAASA-N 2 0 386.968 2.888 20 0 GFADRP [NH3+][C@@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cccc(Br)c1 ZINC000867986141 662590645 /nfs/dbraw/zinc/59/06/45/662590645.db2.gz XXMKDFVLBUBRNV-DLBZAZTESA-N 2 0 390.281 2.749 20 0 GFADRP C/C(=C/c1ccc(Br)o1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016520 662671419 /nfs/dbraw/zinc/67/14/19/662671419.db2.gz NKBDGOYAJPNOHY-CDWBCPPQSA-N 2 0 398.345 2.643 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)c(F)cc2Cl)C[C@H]1C[NH+](C)C ZINC000870016812 662671465 /nfs/dbraw/zinc/67/14/65/662671465.db2.gz AOBFOHCCTBYULR-VXGBXAGGSA-N 2 0 376.303 2.944 20 0 GFADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Br)c1 ZINC000876979317 662869092 /nfs/dbraw/zinc/86/90/92/662869092.db2.gz AZIWDTBFSZPMPS-WMLDXEAASA-N 2 0 380.330 2.687 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000877760951 662883039 /nfs/dbraw/zinc/88/30/39/662883039.db2.gz OZJUPDOLSJRHGQ-FGTMMUONSA-N 2 0 379.342 2.912 20 0 GFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H](O)c1ccc(Br)cc1 ZINC000878287397 662893161 /nfs/dbraw/zinc/89/31/61/662893161.db2.gz AYPGDCVHJSLMPN-BRSBDYLESA-N 2 0 383.330 2.666 20 0 GFADRP C[NH+]1CCC2(CCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)CC2)CC1 ZINC000884460548 663071000 /nfs/dbraw/zinc/07/10/00/663071000.db2.gz CZIOXSSBWOHSRE-INIZCTEOSA-N 2 0 380.330 2.783 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[NH2+]CC2(c3cccc(Br)c3)CC2)cnn1C ZINC000903924685 663812046 /nfs/dbraw/zinc/81/20/46/663812046.db2.gz HACCVJZLWOWRTN-OAHLLOKOSA-N 2 0 391.357 2.930 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)cnn1C ZINC000903936356 663812716 /nfs/dbraw/zinc/81/27/16/663812716.db2.gz ZOWVJNMXUTXRHC-YDISMWLMSA-N 2 0 389.341 2.536 20 0 GFADRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)c(F)c1 ZINC000925855645 664676174 /nfs/dbraw/zinc/67/61/74/664676174.db2.gz LLEIOYAPPCDFRJ-DGCLKSJQSA-N 2 0 385.277 2.924 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(n3cc(Br)cn3)CC2)[C@H](C)C1 ZINC000927008120 664702235 /nfs/dbraw/zinc/70/22/35/664702235.db2.gz NBRORGKMAFRTLW-WBVHZDCISA-N 2 0 399.377 2.861 20 0 GFADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2[C@H](C(=O)OCC)C[C@@H]3C[NH2+]C[C@H]32)nc1 ZINC001164618175 719018764 /nfs/dbraw/zinc/01/87/64/719018764.db2.gz QLWRDAHHKRTVEH-YSTOQKLRSA-N 2 0 386.540 2.748 20 0 GFADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cc(C)cc1N)CC2 ZINC001164713031 720133302 /nfs/dbraw/zinc/13/33/02/720133302.db2.gz PDXDLWLSBTWGCH-IBGZPJMESA-N 2 0 381.524 2.875 20 0 GFADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164721697 720361051 /nfs/dbraw/zinc/36/10/51/720361051.db2.gz DARYETJQVZBVEJ-RTBURBONSA-N 2 0 398.942 2.845 20 0 GFADRP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)O2)n1 ZINC001164830568 720409735 /nfs/dbraw/zinc/40/97/35/720409735.db2.gz SDQNPETVQJVRHK-QRVBRYPASA-N 2 0 399.495 2.745 20 0 GFADRP COc1cc2cc[nH+]c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2cc1OC ZINC001164726616 720516260 /nfs/dbraw/zinc/51/62/60/720516260.db2.gz CAUUCNDJEQPEDE-OAHLLOKOSA-N 2 0 381.480 2.647 20 0 GFADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N)c(C)c[nH+]1)CC2 ZINC001164791726 721465015 /nfs/dbraw/zinc/46/50/15/721465015.db2.gz XZUYWCFSAMKFQS-LJQANCHMSA-N 2 0 388.556 2.706 20 0 GFADRP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc(OC3CC[NH2+]CC3)nn2)c1 ZINC001164937009 721913942 /nfs/dbraw/zinc/91/39/42/721913942.db2.gz FCPUSICNZNUFHW-IYBDPMFKSA-N 2 0 385.537 2.522 20 0 GFADRP C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)N1CCSCC1 ZINC000129835941 551360135 /nfs/dbraw/zinc/36/01/35/551360135.db2.gz OSLUNCABSZUXJZ-CSMYWGQOSA-N 2 0 385.936 2.778 20 0 GFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@H](C)C1 ZINC000152679886 551437982 /nfs/dbraw/zinc/43/79/82/551437982.db2.gz HVUIGYVOSBEYTL-RHSMWYFYSA-N 2 0 382.346 2.889 20 0 GFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000153784163 551460675 /nfs/dbraw/zinc/46/06/75/551460675.db2.gz NOEIKIZUMHBOBY-ZDUSSCGKSA-N 2 0 376.282 2.910 20 0 GFADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000155314868 551497104 /nfs/dbraw/zinc/49/71/04/551497104.db2.gz TVKYBSQIYJAVBG-UHFFFAOYSA-N 2 0 387.615 2.692 20 0 GFADRP C[C@H]([NH2+]Cc1ccsc1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000178026069 552162693 /nfs/dbraw/zinc/16/26/93/552162693.db2.gz WKPIRXHGMDOFPX-HNNXBMFYSA-N 2 0 381.567 2.829 20 0 GFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000261684260 553155821 /nfs/dbraw/zinc/15/58/21/553155821.db2.gz NABIKDPJOLWUFG-MAUKXSAKSA-N 2 0 394.357 2.838 20 0 GFADRP CC(C)C[C@@H](C[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418450093 563217777 /nfs/dbraw/zinc/21/77/77/563217777.db2.gz UMRUIMFBZPRXOF-KRWDZBQOSA-N 2 0 399.377 2.896 20 0 GFADRP COc1c(Br)cccc1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373459611 563338906 /nfs/dbraw/zinc/33/89/06/563338906.db2.gz MUKSYJCPZSEUPY-OAHLLOKOSA-N 2 0 382.346 2.716 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422900801 563349883 /nfs/dbraw/zinc/34/98/83/563349883.db2.gz AWRUHVMCZSJPGN-SJORKVTESA-N 2 0 398.345 2.827 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422938654 563351258 /nfs/dbraw/zinc/35/12/58/563351258.db2.gz DUMQLUSOQGCXHT-BIMULSAOSA-N 2 0 379.245 2.892 20 0 GFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000422948173 563351748 /nfs/dbraw/zinc/35/17/48/563351748.db2.gz ZYMBFDUWWUNEQE-IUODEOHRSA-N 2 0 394.313 2.702 20 0 GFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000423043768 563353067 /nfs/dbraw/zinc/35/30/67/563353067.db2.gz PXDOSCDMIZKPGI-LLVKDONJSA-N 2 0 377.286 2.901 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000423092413 563354955 /nfs/dbraw/zinc/35/49/55/563354955.db2.gz BUNAWZBJINFJTA-STQMWFEESA-N 2 0 384.318 2.816 20 0 GFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423110456 563356350 /nfs/dbraw/zinc/35/63/50/563356350.db2.gz IDWKTGLNWBMNJU-ZFWWWQNUSA-N 2 0 391.940 2.658 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000423165264 563357952 /nfs/dbraw/zinc/35/79/52/563357952.db2.gz UFHNDCHEBSCDSZ-UXLLHSPISA-N 2 0 385.346 2.716 20 0 GFADRP [NH3+]C1(CNC(=O)c2ccc(Br)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000424034826 563368037 /nfs/dbraw/zinc/36/80/37/563368037.db2.gz DBPASIRLJZZYSX-UHFFFAOYSA-N 2 0 392.297 2.765 20 0 GFADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000374324094 563368149 /nfs/dbraw/zinc/36/81/49/563368149.db2.gz JWJZTCVTKVHWJX-UHFFFAOYSA-N 2 0 398.393 2.699 20 0 GFADRP C[NH+]1CCN(c2ccc(CNCc3cscc3Br)cn2)CC1 ZINC000285448970 563521524 /nfs/dbraw/zinc/52/15/24/563521524.db2.gz MADJQKYFUXDZDO-UHFFFAOYSA-N 2 0 381.343 2.947 20 0 GFADRP O=C([C@@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1)N1CC[NH2+]CC1 ZINC000430604802 563546527 /nfs/dbraw/zinc/54/65/27/563546527.db2.gz RIUYEPFNFVXTSF-CQSZACIVSA-N 2 0 386.323 2.516 20 0 GFADRP Brc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(N2CCOCC2)c1 ZINC000430935455 563550351 /nfs/dbraw/zinc/55/03/51/563550351.db2.gz UAHFKCLXKFJWLU-UHFFFAOYSA-N 2 0 394.357 2.861 20 0 GFADRP CC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1nc(C(F)(F)F)cs1 ZINC000433127384 563604000 /nfs/dbraw/zinc/60/40/00/563604000.db2.gz SHNGXHAQIMCXTR-GFCCVEGCSA-N 2 0 378.464 2.933 20 0 GFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc4c(cc3Br)OCO4)CC2)C1 ZINC000333209909 563624133 /nfs/dbraw/zinc/62/41/33/563624133.db2.gz ZMHHGTVONACEBW-GDBMZVCRSA-N 2 0 397.313 2.896 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000333246114 563625586 /nfs/dbraw/zinc/62/55/86/563625586.db2.gz FTTCJCUXNWGXNJ-IETSOEAISA-N 2 0 386.359 2.808 20 0 GFADRP O=C1CC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000333336205 563628944 /nfs/dbraw/zinc/62/89/44/563628944.db2.gz XCVMLKPPQUNSDH-SCTDSRPQSA-N 2 0 392.341 2.673 20 0 GFADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000434881239 563639690 /nfs/dbraw/zinc/63/96/90/563639690.db2.gz TZVSKJSOHRVXPA-MSOLQXFVSA-N 2 0 381.973 2.906 20 0 GFADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000414113691 563719732 /nfs/dbraw/zinc/71/97/32/563719732.db2.gz OADHZJHGXMBDFO-CQSZACIVSA-N 2 0 382.346 2.996 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(c3ccccc3Br)CC2)C1 ZINC000414760062 563752658 /nfs/dbraw/zinc/75/26/58/563752658.db2.gz XPIDNYKSKKHZSV-OAHLLOKOSA-N 2 0 394.357 2.826 20 0 GFADRP Fc1cc(Br)ccc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414974302 563755597 /nfs/dbraw/zinc/75/55/97/563755597.db2.gz LGYFBDFDBXOHKZ-ZDUSSCGKSA-N 2 0 384.215 2.514 20 0 GFADRP COc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc(I)c1OC ZINC000415041409 563757336 /nfs/dbraw/zinc/75/73/36/563757336.db2.gz PVTGWKLIGLJJQW-ZYHUDNBSSA-N 2 0 390.265 2.525 20 0 GFADRP COc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1Br ZINC000415057128 563757603 /nfs/dbraw/zinc/75/76/03/563757603.db2.gz QYZSVJPFHYXPPC-UHFFFAOYSA-N 2 0 382.346 2.764 20 0 GFADRP O=C1[C@@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CCN1c1cccc(Br)c1 ZINC000564212818 564224652 /nfs/dbraw/zinc/22/46/52/564224652.db2.gz UKGVVHOCTMIJSD-INIZCTEOSA-N 2 0 378.314 2.630 20 0 GFADRP CN(C)[C@]1(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCSC1 ZINC000539977574 564234642 /nfs/dbraw/zinc/23/46/42/564234642.db2.gz LIBKQYWHPARXDC-IBGZPJMESA-N 2 0 383.005 2.619 20 0 GFADRP C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000565445116 564280756 /nfs/dbraw/zinc/28/07/56/564280756.db2.gz QBWQTKZGRNWNOZ-HNNXBMFYSA-N 2 0 399.377 2.591 20 0 GFADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(C)s1 ZINC000566090919 564308685 /nfs/dbraw/zinc/30/86/85/564308685.db2.gz QDPGNGXVCBWUJU-BRWVUGGUSA-N 2 0 385.599 2.544 20 0 GFADRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000513698124 564436425 /nfs/dbraw/zinc/43/64/25/564436425.db2.gz WTRZCRYZNJYWOV-ULQDDVLXSA-N 2 0 380.330 2.641 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453090242 564445639 /nfs/dbraw/zinc/44/56/39/564445639.db2.gz BVRRVEFTDHZZRS-BEFAXECRSA-N 2 0 380.374 2.996 20 0 GFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)c(I)c1 ZINC000453233614 564449438 /nfs/dbraw/zinc/44/94/38/564449438.db2.gz WPINGWGCTGYCAH-LLVKDONJSA-N 2 0 380.245 2.659 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000570162275 564494601 /nfs/dbraw/zinc/49/46/01/564494601.db2.gz IKCNLLUTLQEIEZ-KCMWZYNZSA-N 2 0 394.357 2.855 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC/C=C\c1ccc(Br)cc1 ZINC000516410615 564501730 /nfs/dbraw/zinc/50/17/30/564501730.db2.gz HNWMCXVRGCQBLF-WAYWQWQTSA-N 2 0 397.361 2.597 20 0 GFADRP COCCN(C)C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000571295328 564544688 /nfs/dbraw/zinc/54/46/88/564544688.db2.gz VPECISMPTCLBFD-KRWDZBQOSA-N 2 0 385.346 2.747 20 0 GFADRP COC(=O)C[C@](C)([NH2+]CCc1cncn1C)c1ccc(Br)cc1 ZINC000459490334 564747116 /nfs/dbraw/zinc/74/71/16/564747116.db2.gz VDFWHZXMVAVVES-KRWDZBQOSA-N 2 0 380.286 2.793 20 0 GFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cc(Br)cs1 ZINC000493931810 564813799 /nfs/dbraw/zinc/81/37/99/564813799.db2.gz AABDALLXFIEPQC-CQSZACIVSA-N 2 0 390.391 2.551 20 0 GFADRP C[C@]([NH3+])(C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000582723598 564859094 /nfs/dbraw/zinc/85/90/94/564859094.db2.gz MTTDTFGRQHJLCL-LEOMRAHMSA-N 2 0 380.330 2.756 20 0 GFADRP Brc1cc2c(c(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)c1)OCC2 ZINC000530249743 564874249 /nfs/dbraw/zinc/87/42/49/564874249.db2.gz YNCZITXFUBEBBD-SFHVURJKSA-N 2 0 395.341 2.975 20 0 GFADRP C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530641085 564890216 /nfs/dbraw/zinc/89/02/16/564890216.db2.gz ARGUQQSXXATBPQ-ZDUSSCGKSA-N 2 0 376.328 2.713 20 0 GFADRP O=C(CC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1)N1CC[NH2+]CC1 ZINC000584232789 564927023 /nfs/dbraw/zinc/92/70/23/564927023.db2.gz YAXZIALUUDCBTR-INIZCTEOSA-N 2 0 384.293 2.547 20 0 GFADRP C[C@@H]1C[C@H](N(C)C(=O)NCc2cn3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000465733997 564931253 /nfs/dbraw/zinc/93/12/53/564931253.db2.gz ZEFWYSOVCHUBHR-IUODEOHRSA-N 2 0 394.317 2.721 20 0 GFADRP C[C@H](C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000470001850 565034443 /nfs/dbraw/zinc/03/44/43/565034443.db2.gz DTKZTYGHOWEVLP-NVXWUHKLSA-N 2 0 394.357 2.696 20 0 GFADRP COCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000584346015 565076972 /nfs/dbraw/zinc/07/69/72/565076972.db2.gz OVWIWBDWTKQYFB-MRXNPFEDSA-N 2 0 391.339 2.824 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000658106113 565150524 /nfs/dbraw/zinc/15/05/24/565150524.db2.gz FTRNPAFJEHCBSN-STQMWFEESA-N 2 0 375.330 2.906 20 0 GFADRP COc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc(I)c1OC ZINC000591278525 565221282 /nfs/dbraw/zinc/22/12/82/565221282.db2.gz LEAHGSYQRPQVFT-GFCCVEGCSA-N 2 0 390.265 2.540 20 0 GFADRP CO[C@@]1(C[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)CCOC1 ZINC000639174452 565230383 /nfs/dbraw/zinc/23/03/83/565230383.db2.gz BUZVIFGSCDNKFH-MRXNPFEDSA-N 2 0 384.274 2.546 20 0 GFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000641718322 565396371 /nfs/dbraw/zinc/39/63/71/565396371.db2.gz WPKDZCRHBICRQA-UHFFFAOYSA-N 2 0 381.318 2.708 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000663504340 565424502 /nfs/dbraw/zinc/42/45/02/565424502.db2.gz SUODPLVYXLPQLU-UHFFFAOYSA-N 2 0 378.567 2.952 20 0 GFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000644669175 565488914 /nfs/dbraw/zinc/48/89/14/565488914.db2.gz HDPJXSMUNYKHJY-AWEZNQCLSA-N 2 0 389.359 2.544 20 0 GFADRP C[C@H](C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)N1CC[NH+](C)CC1 ZINC000623888539 565533572 /nfs/dbraw/zinc/53/35/72/565533572.db2.gz KEUWGNFTHKLYEQ-QWHCGFSZSA-N 2 0 378.870 2.910 20 0 GFADRP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)Nc1cccc(Br)c1)CCO2 ZINC000646106200 565586595 /nfs/dbraw/zinc/58/65/95/565586595.db2.gz RTBKOBOTPBAWBD-UHFFFAOYSA-N 2 0 396.329 2.574 20 0 GFADRP CS(=O)(=O)c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000647796582 565677291 /nfs/dbraw/zinc/67/72/91/565677291.db2.gz FPTOIYZOMCLDMA-KCQAQPDRSA-N 2 0 376.444 2.587 20 0 GFADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000669679608 565698836 /nfs/dbraw/zinc/69/88/36/565698836.db2.gz MHELAIIERTYMTQ-UHFFFAOYSA-N 2 0 376.289 2.843 20 0 GFADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361696 565924305 /nfs/dbraw/zinc/92/43/05/565924305.db2.gz MQBKAFNWIBRWGK-IMJJTQAJSA-N 2 0 385.961 2.721 20 0 GFADRP Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCOCC[NH+](C)C ZINC000655760248 566087468 /nfs/dbraw/zinc/08/74/68/566087468.db2.gz ZDEXBDHMXUINLU-UHFFFAOYSA-N 2 0 381.318 2.611 20 0 GFADRP COCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634703408 566171383 /nfs/dbraw/zinc/17/13/83/566171383.db2.gz VQIJMUBKWSZEOJ-QGZVFWFLSA-N 2 0 391.339 2.824 20 0 GFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821809556 599420561 /nfs/dbraw/zinc/42/05/61/599420561.db2.gz OZQKJKBWBKCFNA-IBGZPJMESA-N 2 0 392.507 2.877 20 0 GFADRP C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000824598227 608280512 /nfs/dbraw/zinc/28/05/12/608280512.db2.gz CEMSXQZOJHKOAQ-INIZCTEOSA-N 2 0 396.495 2.537 20 0 GFADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825966115 608526559 /nfs/dbraw/zinc/52/65/59/608526559.db2.gz OMUGBTHTGQUKMS-UHFFFAOYSA-N 2 0 392.507 2.973 20 0 GFADRP COCC[N@H+](C)CCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000818954189 660237916 /nfs/dbraw/zinc/23/79/16/660237916.db2.gz RJRIZXAQTUIXIT-INIZCTEOSA-N 2 0 393.753 2.868 20 0 GFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1nc(Br)cs1 ZINC000834566180 660825104 /nfs/dbraw/zinc/82/51/04/660825104.db2.gz FWEBAGBKXVCFCS-GFCCVEGCSA-N 2 0 375.380 2.830 20 0 GFADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000056524371 654796560 /nfs/dbraw/zinc/79/65/60/654796560.db2.gz IAARKCNEANQXGB-QGZVFWFLSA-N 2 0 385.346 2.853 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000103213273 655069151 /nfs/dbraw/zinc/06/91/51/655069151.db2.gz NXBUZFQPAMKOAV-IAGOWNOFSA-N 2 0 382.346 2.504 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000574240011 655427087 /nfs/dbraw/zinc/42/70/87/655427087.db2.gz IRVSBOUTZCPRIE-UHFFFAOYSA-N 2 0 394.361 2.764 20 0 GFADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000262006737 655443407 /nfs/dbraw/zinc/44/34/07/655443407.db2.gz FCWWGEZCILESAI-OAHLLOKOSA-N 2 0 398.370 2.740 20 0 GFADRP C[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000578009727 655471139 /nfs/dbraw/zinc/47/11/39/655471139.db2.gz BERXMYMUNKPFTD-KSSFIOAISA-N 2 0 382.346 2.861 20 0 GFADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)sc2C1 ZINC000580211617 655510310 /nfs/dbraw/zinc/51/03/10/655510310.db2.gz BYFHYRPJUQKVGC-MELADBBJSA-N 2 0 376.913 2.554 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1Br ZINC000755832629 655889579 /nfs/dbraw/zinc/88/95/79/655889579.db2.gz OOCSRUIKZWDAAV-OAHLLOKOSA-N 2 0 397.361 2.641 20 0 GFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Br)ncc2F)CC1 ZINC000762746803 656057462 /nfs/dbraw/zinc/05/74/62/656057462.db2.gz JGRPCEZHCRMCDO-UONOGXRCSA-N 2 0 387.341 2.907 20 0 GFADRP NC1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000841104400 661232774 /nfs/dbraw/zinc/23/27/74/661232774.db2.gz QEMMSMKCXMRFSQ-QYZOEREBSA-N 2 0 377.623 2.949 20 0 GFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)cn2)CC1 ZINC000775376509 656633645 /nfs/dbraw/zinc/63/36/45/656633645.db2.gz AGGMLRSRAPEJRQ-LMMKCTJWSA-N 2 0 378.611 2.693 20 0 GFADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c2ccccc2)CC1 ZINC000775378872 656633884 /nfs/dbraw/zinc/63/38/84/656633884.db2.gz CWWZBYMRMUOJIR-FUMNGEBKSA-N 2 0 377.623 2.944 20 0 GFADRP CSc1nnc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000849108689 661692361 /nfs/dbraw/zinc/69/23/61/661692361.db2.gz ZVQIRAWVDDOBMP-UHFFFAOYSA-N 2 0 376.555 2.539 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000855346110 661987090 /nfs/dbraw/zinc/98/70/90/661987090.db2.gz ORPDCUXTGQHVTG-ZDUSSCGKSA-N 2 0 395.345 2.932 20 0 GFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000873260534 662804632 /nfs/dbraw/zinc/80/46/32/662804632.db2.gz CMOWNKZDRCYICE-WISYIIOYSA-N 2 0 392.352 2.822 20 0 GFADRP C[NH+]1CCC(NC(=O)C[NH2+]C2(c3cccc(Br)c3)CCC2)CC1 ZINC000878231549 662892107 /nfs/dbraw/zinc/89/21/07/662892107.db2.gz SWRYSZLFHOSCMU-UHFFFAOYSA-N 2 0 380.330 2.628 20 0 GFADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000878458003 662896890 /nfs/dbraw/zinc/89/68/90/662896890.db2.gz LPBHTBJJKAQWTP-INIZCTEOSA-N 2 0 386.309 2.839 20 0 GFADRP C[C@@H]([NH3+])C1CCN(C(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)CC1 ZINC000911754648 664255396 /nfs/dbraw/zinc/25/53/96/664255396.db2.gz VXXZRLTUDJPKGA-CQSZACIVSA-N 2 0 394.357 2.656 20 0 GFADRP Cc1nc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)sc1Br ZINC000922011565 664581231 /nfs/dbraw/zinc/58/12/31/664581231.db2.gz KGTWMMOQSGBMNV-UHFFFAOYSA-N 2 0 375.380 2.720 20 0 GFADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)cn3)C2)[C@H]1C(C)C ZINC000922392174 664598886 /nfs/dbraw/zinc/59/88/86/664598886.db2.gz BYTTVAMGUIYDEX-TVFCKZIOSA-N 2 0 382.346 2.804 20 0 GFADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)cn3)C2)[C@@H]1C(C)C ZINC000922392177 664598927 /nfs/dbraw/zinc/59/89/27/664598927.db2.gz BYTTVAMGUIYDEX-ZJPYXAASSA-N 2 0 382.346 2.804 20 0 GFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923288474 664627581 /nfs/dbraw/zinc/62/75/81/664627581.db2.gz KEOKWXQLVJLAMI-SGMGOOAPSA-N 2 0 391.737 2.901 20 0 GFADRP [NH3+]CCCOC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923298531 664627712 /nfs/dbraw/zinc/62/77/12/664627712.db2.gz VFMLAUZXXXUMHZ-CQSZACIVSA-N 2 0 377.312 2.563 20 0 GFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923332101 664628464 /nfs/dbraw/zinc/62/84/64/664628464.db2.gz OXOXYMFZLBNZFT-GMXVVIOVSA-N 2 0 377.710 2.511 20 0 GFADRP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923456254 664630922 /nfs/dbraw/zinc/63/09/22/664630922.db2.gz XBIJXFXZJDMMTR-BBRMVZONSA-N 2 0 396.329 2.606 20 0 GFADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500491 664631349 /nfs/dbraw/zinc/63/13/49/664631349.db2.gz RLOPHSRDTSOWAY-IJEWVQPXSA-N 2 0 382.346 2.713 20 0 GFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924965445 664664489 /nfs/dbraw/zinc/66/44/89/664664489.db2.gz IHSSCADVXYITIY-KRWDZBQOSA-N 2 0 381.362 2.839 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925565930 664673114 /nfs/dbraw/zinc/67/31/14/664673114.db2.gz BFEYZJFYTOEOGG-HOTGVXAUSA-N 2 0 380.330 2.657 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC12CC[NH2+]CC2 ZINC000925848116 664675739 /nfs/dbraw/zinc/67/57/39/664675739.db2.gz AFGMAKSJCFXDAJ-IAQYHMDHSA-N 2 0 397.288 2.850 20 0 GFADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851899 664675902 /nfs/dbraw/zinc/67/59/02/664675902.db2.gz TUGJSHWNFAOBHU-DOMZBBRYSA-N 2 0 399.304 2.794 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)CC12CC[NH2+]CC2 ZINC000925849319 664675955 /nfs/dbraw/zinc/67/59/55/664675955.db2.gz HYBMJFCBJDLMMP-ZBFHGGJFSA-N 2 0 379.298 2.711 20 0 GFADRP O=C(Nc1cc(Cl)c(Cl)cn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000926095879 664681587 /nfs/dbraw/zinc/68/15/87/664681587.db2.gz FNEKMULZKHKDQX-BETUJISGSA-N 2 0 384.311 2.821 20 0 GFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000926297224 664687114 /nfs/dbraw/zinc/68/71/14/664687114.db2.gz DJTMXOMQKJKQQX-OCZCAGDBSA-N 2 0 376.444 2.539 20 0 GFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1(Br)CC1 ZINC000926593809 664693079 /nfs/dbraw/zinc/69/30/79/664693079.db2.gz CMLBUTNRQCYJEE-CQSZACIVSA-N 2 0 394.357 2.790 20 0 GFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164815220 720198316 /nfs/dbraw/zinc/19/83/16/720198316.db2.gz XDQHSKWZBPZHGI-JTHBVZDNSA-N 2 0 384.568 2.862 20 0 GFADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164721694 720361365 /nfs/dbraw/zinc/36/13/65/720361365.db2.gz DARYETJQVZBVEJ-OALUTQOASA-N 2 0 398.942 2.845 20 0 GFADRP Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164899557 721514370 /nfs/dbraw/zinc/51/43/70/721514370.db2.gz KVHBNNOMFQLBDH-QUCCMNQESA-N 2 0 397.498 2.866 20 0 GFADRP c1ccc(N(c2ncccc2C[NH+]2CCCC2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)nc1 ZINC001164958156 722051412 /nfs/dbraw/zinc/05/14/12/722051412.db2.gz DBPYJLXLLZNFSI-UZKOGDIHSA-N 2 0 393.535 2.978 20 0 GFADRP CC[N@H+](C)[C@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000359959943 209207672 /nfs/dbraw/zinc/20/76/72/209207672.db2.gz NJIXACOBQDWRAB-NRFANRHFSA-N 2 0 386.584 2.556 20 0 GFADRP COc1sc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1Br ZINC000185862728 552372907 /nfs/dbraw/zinc/37/29/07/552372907.db2.gz MSQMACXITPQOKS-GFCCVEGCSA-N 2 0 376.364 2.635 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(Br)cs1 ZINC000194598555 553025353 /nfs/dbraw/zinc/02/53/53/553025353.db2.gz XEMCDMNLXBIOFJ-UHFFFAOYSA-N 2 0 376.364 2.856 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000261739183 553157125 /nfs/dbraw/zinc/15/71/25/553157125.db2.gz LQWZTWMUKJLAKJ-HNAYVOBHSA-N 2 0 394.357 2.957 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422797357 563349572 /nfs/dbraw/zinc/34/95/72/563349572.db2.gz MEYRYDKGSAVAAX-XFKAJCMBSA-N 2 0 383.330 2.963 20 0 GFADRP CC[C@H]([NH2+]CCCNC(=O)c1cc(OC)ccc1Br)[C@@H]1CCC[NH2+]1 ZINC000422912081 563350878 /nfs/dbraw/zinc/35/08/78/563350878.db2.gz VIFVSMHUJWXKOX-IRXDYDNUSA-N 2 0 398.345 2.698 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000423106389 563355643 /nfs/dbraw/zinc/35/56/43/563355643.db2.gz ZTIWWNRJOZCABD-DUFXMDAXSA-N 2 0 394.684 2.787 20 0 GFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423268273 563359615 /nfs/dbraw/zinc/35/96/15/563359615.db2.gz FTFGFLPNOBMHLB-QWRGUYRKSA-N 2 0 380.341 2.681 20 0 GFADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423390945 563360530 /nfs/dbraw/zinc/36/05/30/563360530.db2.gz OWAYESDRJLOCEE-ZBFHGGJFSA-N 2 0 377.838 2.979 20 0 GFADRP Cc1nc(C(F)(F)F)c(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)s1 ZINC000375202488 563395016 /nfs/dbraw/zinc/39/50/16/563395016.db2.gz QSUZFQLVZTVFPH-TZMCWYRMSA-N 2 0 376.492 2.928 20 0 GFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000285525689 563525231 /nfs/dbraw/zinc/52/52/31/563525231.db2.gz RYKLHXYOJRFSBP-LJQANCHMSA-N 2 0 398.389 2.662 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)C1 ZINC000414753343 563751913 /nfs/dbraw/zinc/75/19/13/563751913.db2.gz MAIIGZZKJMSBHZ-CXAGYDPISA-N 2 0 398.320 2.922 20 0 GFADRP [NH3+]C1(CNCc2ncc(Br)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415125978 563760215 /nfs/dbraw/zinc/76/02/15/563760215.db2.gz FVIIZZUNLPOTPI-UHFFFAOYSA-N 2 0 395.370 2.989 20 0 GFADRP CCS(=O)(=O)CCCCC[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000365278291 563779222 /nfs/dbraw/zinc/77/92/22/563779222.db2.gz KRKKDZXNRDSIDK-MAUKXSAKSA-N 2 0 387.615 2.857 20 0 GFADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)s1 ZINC000443316727 563800513 /nfs/dbraw/zinc/80/05/13/563800513.db2.gz WPJAWVVYLTUEQC-LLVKDONJSA-N 2 0 386.359 2.904 20 0 GFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(F)cc1I ZINC000418011331 563895184 /nfs/dbraw/zinc/89/51/84/563895184.db2.gz UVHIBOZABTYNSH-UHFFFAOYSA-N 2 0 394.272 2.878 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1oc(Br)cc1C ZINC000505808083 564191048 /nfs/dbraw/zinc/19/10/48/564191048.db2.gz UZBWXTHHZFPCBH-AWEZNQCLSA-N 2 0 386.334 2.839 20 0 GFADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683855 564195658 /nfs/dbraw/zinc/19/56/58/564195658.db2.gz OCSNFWJKCYRKCQ-XHSDSOJGSA-N 2 0 385.321 2.956 20 0 GFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000567375588 564368657 /nfs/dbraw/zinc/36/86/57/564368657.db2.gz UDJLWQYCRVPRAS-MURWCNHISA-N 2 0 392.352 2.680 20 0 GFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000567639970 564381712 /nfs/dbraw/zinc/38/17/12/564381712.db2.gz QVPLKVISXTZQOZ-IXDOHACOSA-N 2 0 385.599 2.659 20 0 GFADRP Brc1cccc(Cc2noc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c1 ZINC000567735327 564386657 /nfs/dbraw/zinc/38/66/57/564386657.db2.gz FOQLRIUJPHFVDW-GASCZTMLSA-N 2 0 391.313 2.854 20 0 GFADRP CCC[NH+]1CCC(C[NH2+]Cc2ncc(I)s2)CC1 ZINC000512024306 564389553 /nfs/dbraw/zinc/38/95/53/564389553.db2.gz MEXCUDHMHXWNIQ-UHFFFAOYSA-N 2 0 379.311 2.959 20 0 GFADRP O=C1CC[C@@H]([NH2+]Cc2csc(-c3cccs3)n2)[C@H](C2CC[NH2+]CC2)N1 ZINC000515217805 564472458 /nfs/dbraw/zinc/47/24/58/564472458.db2.gz KQQYBTPSDWNWBW-PBHICJAKSA-N 2 0 376.551 2.608 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000570162274 564494417 /nfs/dbraw/zinc/49/44/17/564494417.db2.gz IKCNLLUTLQEIEZ-HUHSQHJXSA-N 2 0 394.357 2.855 20 0 GFADRP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000571323203 564546719 /nfs/dbraw/zinc/54/67/19/564546719.db2.gz UHMSNXBSDFNLBY-OAHLLOKOSA-N 2 0 399.377 2.591 20 0 GFADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000521228438 564622832 /nfs/dbraw/zinc/62/28/32/564622832.db2.gz ZZEJQTLAYWJCIP-PREGVCBESA-N 2 0 385.346 2.899 20 0 GFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@H]2CCC[C@@H]21 ZINC000552275874 564684696 /nfs/dbraw/zinc/68/46/96/564684696.db2.gz CQLLNIGEPABDRU-FSDCSDTHSA-N 2 0 383.330 2.651 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(O)cc(Br)c1 ZINC000528337677 564778345 /nfs/dbraw/zinc/77/83/45/564778345.db2.gz SFCSJLQUGNOXLS-MRXNPFEDSA-N 2 0 398.345 2.643 20 0 GFADRP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555550148 564797880 /nfs/dbraw/zinc/79/78/80/564797880.db2.gz JQPXOKKFZLNTJL-SJORKVTESA-N 2 0 381.358 2.989 20 0 GFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CC[NH2+]1 ZINC000581654823 564812438 /nfs/dbraw/zinc/81/24/38/564812438.db2.gz QAYSLMFITHEGJE-ZIAGYGMSSA-N 2 0 395.345 2.883 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(F)cccc1Cl ZINC000463685448 564886970 /nfs/dbraw/zinc/88/69/70/564886970.db2.gz SBERULFVQILBAB-CQSZACIVSA-N 2 0 391.940 2.516 20 0 GFADRP C[C@H]1C[C@H](N(C)C(=O)NCc2cn3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000465733998 564931610 /nfs/dbraw/zinc/93/16/10/564931610.db2.gz ZEFWYSOVCHUBHR-SWLSCSKDSA-N 2 0 394.317 2.721 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000470180571 565040408 /nfs/dbraw/zinc/04/04/08/565040408.db2.gz PDWRTZGPBCVFKA-YOEHRIQHSA-N 2 0 382.346 2.889 20 0 GFADRP C[C@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000590125915 565178615 /nfs/dbraw/zinc/17/86/15/565178615.db2.gz SYNHFKPAQVFRIY-AWEZNQCLSA-N 2 0 382.346 2.900 20 0 GFADRP Brc1cnc2c(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cnn2c1 ZINC000638184590 565187424 /nfs/dbraw/zinc/18/74/24/565187424.db2.gz YSDHNAWZSQETBD-DYVFJYSZSA-N 2 0 390.329 2.941 20 0 GFADRP C[C@@H]1CC[N@H+](Cc2cnn3cc(Br)cnc23)C[C@H]1n1ccnc1 ZINC000638172047 565188059 /nfs/dbraw/zinc/18/80/59/565188059.db2.gz NHONFOWVBOIZMV-IUODEOHRSA-N 2 0 375.274 2.771 20 0 GFADRP Brc1cccc(OC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662280357 565358226 /nfs/dbraw/zinc/35/82/26/565358226.db2.gz OLELMOQSKSCONB-QGZVFWFLSA-N 2 0 381.314 2.813 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000663506531 565424347 /nfs/dbraw/zinc/42/43/47/565424347.db2.gz UBLSKVCEQYSFDQ-UHFFFAOYSA-N 2 0 398.345 2.538 20 0 GFADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCc1ccc(O)c(Br)c1 ZINC000644601365 565483990 /nfs/dbraw/zinc/48/39/90/565483990.db2.gz HVSIUZWEFRRIIT-INIZCTEOSA-N 2 0 379.298 2.737 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000625288791 565616021 /nfs/dbraw/zinc/61/60/21/565616021.db2.gz OMWHHMPMBFKRLT-UHFFFAOYSA-N 2 0 381.826 2.804 20 0 GFADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)nc12 ZINC000647794224 565676713 /nfs/dbraw/zinc/67/67/13/565676713.db2.gz VHEYYMAMZAWFMX-OFQRWUPVSA-N 2 0 377.330 2.925 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799188 565677153 /nfs/dbraw/zinc/67/71/53/565677153.db2.gz ACRHICHMQQDJQF-JSSFPYSZSA-N 2 0 397.357 2.586 20 0 GFADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000648151614 565692226 /nfs/dbraw/zinc/69/22/26/565692226.db2.gz WFGASCHPXVKPAX-HWWDLCQESA-N 2 0 382.335 2.883 20 0 GFADRP C[C@@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C[NH2+]1 ZINC000627196808 565726366 /nfs/dbraw/zinc/72/63/66/565726366.db2.gz VUSFLTSOLBEFRS-PBHICJAKSA-N 2 0 397.361 2.663 20 0 GFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000629571058 565860852 /nfs/dbraw/zinc/86/08/52/565860852.db2.gz GJBWYGPOEUAFNS-UHFFFAOYSA-N 2 0 379.302 2.574 20 0 GFADRP COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000651460478 565864901 /nfs/dbraw/zinc/86/49/01/565864901.db2.gz KLZOVNFMRMFFRS-GDBMZVCRSA-N 2 0 399.373 2.929 20 0 GFADRP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1cc(F)c(Br)cc1F ZINC000629650804 565865145 /nfs/dbraw/zinc/86/51/45/565865145.db2.gz FDKINWDAHNKRMS-QWRGUYRKSA-N 2 0 390.272 2.575 20 0 GFADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653148928 565956332 /nfs/dbraw/zinc/95/63/32/565956332.db2.gz QBAVVIBBRQVTHM-QGZVFWFLSA-N 2 0 389.371 2.553 20 0 GFADRP CC(C)N1CC[NH+](C2CCN(Cc3ccc(Br)cn3)CC2)CC1 ZINC000677738380 565982272 /nfs/dbraw/zinc/98/22/72/565982272.db2.gz JHAJMZSKWHPUNV-UHFFFAOYSA-N 2 0 381.362 2.835 20 0 GFADRP CC1CC[NH+]([C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c2cccs2)CC1 ZINC000655912770 566095715 /nfs/dbraw/zinc/09/57/15/566095715.db2.gz PCIBDYFRWOHOPA-JSGCOSHPSA-N 2 0 378.464 2.710 20 0 GFADRP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000820427829 607055594 /nfs/dbraw/zinc/05/55/94/607055594.db2.gz UTSGVWITFGMJHO-CQSZACIVSA-N 2 0 384.459 2.797 20 0 GFADRP C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000824606255 608284012 /nfs/dbraw/zinc/28/40/12/608284012.db2.gz PEOAVZLQAKKHAI-AWEZNQCLSA-N 2 0 384.459 2.797 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)[C@@H](C)C1 ZINC000825593763 608512525 /nfs/dbraw/zinc/51/25/25/608512525.db2.gz DBOTUYDMMXFZRL-NDXORKPFSA-N 2 0 398.555 2.971 20 0 GFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824605181 609141220 /nfs/dbraw/zinc/14/12/20/609141220.db2.gz GEQUMKCQCGRHNU-OAHLLOKOSA-N 2 0 398.486 2.840 20 0 GFADRP COc1cc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)ccc1S(=O)(=O)C(F)F ZINC000817964606 660212465 /nfs/dbraw/zinc/21/24/65/660212465.db2.gz FPPOKOFDYJHTGT-GFCCVEGCSA-N 2 0 376.469 2.732 20 0 GFADRP COCC[N@H+](C)CCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000818954190 660237908 /nfs/dbraw/zinc/23/79/08/660237908.db2.gz RJRIZXAQTUIXIT-MRXNPFEDSA-N 2 0 393.753 2.868 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000057718476 654809070 /nfs/dbraw/zinc/80/90/70/654809070.db2.gz KJSILVQYOZNNFX-LFIBNONCSA-N 2 0 387.977 2.846 20 0 GFADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000103500531 655073952 /nfs/dbraw/zinc/07/39/52/655073952.db2.gz PJOBDYJMYLJHEI-HNNXBMFYSA-N 2 0 384.307 2.899 20 0 GFADRP C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)C1 ZINC000579857751 655505092 /nfs/dbraw/zinc/50/50/92/655505092.db2.gz HFWMDFBIGHZTCG-CQSZACIVSA-N 2 0 397.361 2.727 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000732624552 655599340 /nfs/dbraw/zinc/59/93/40/655599340.db2.gz QYGIPTUKCKPFBD-KRWDZBQOSA-N 2 0 384.659 2.687 20 0 GFADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000764385406 656109626 /nfs/dbraw/zinc/10/96/26/656109626.db2.gz XTPTXXRRIIVIDQ-INIZCTEOSA-N 2 0 376.372 2.884 20 0 GFADRP Ic1ccccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841088123 661231812 /nfs/dbraw/zinc/23/18/12/661231812.db2.gz YDAVPOMYHVJTNV-UHFFFAOYSA-N 2 0 399.320 2.597 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768794085 656251533 /nfs/dbraw/zinc/25/15/33/656251533.db2.gz IHDUOHCDIPXOFM-GDNBJRDFSA-N 2 0 387.977 2.846 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(Br)ccc1C ZINC000786863563 657476463 /nfs/dbraw/zinc/47/64/63/657476463.db2.gz GIHDYCFMYATEDU-HNNXBMFYSA-N 2 0 397.361 2.641 20 0 GFADRP O=C1[C@@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CCN1c1cccc(Br)c1 ZINC000843364554 661378852 /nfs/dbraw/zinc/37/88/52/661378852.db2.gz HHWQAYIJRCWHFL-INIZCTEOSA-N 2 0 378.314 2.630 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(Br)cc1 ZINC000849088011 661691575 /nfs/dbraw/zinc/69/15/75/661691575.db2.gz NGGFZPOZNVOQDB-DZGCQCFKSA-N 2 0 383.334 2.815 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)c2nc3cc(Cl)ccc3s2)C[C@H]1C[NH+](C)C ZINC000866040590 662458222 /nfs/dbraw/zinc/45/82/22/662458222.db2.gz AUBTZHHAAQOKGO-CHWSQXEVSA-N 2 0 380.945 2.761 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000870950483 662711247 /nfs/dbraw/zinc/71/12/47/662711247.db2.gz GRBJLSNLPJIUCA-WBVHZDCISA-N 2 0 380.330 2.687 20 0 GFADRP Cc1sc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1Br ZINC000876646571 662864135 /nfs/dbraw/zinc/86/41/35/662864135.db2.gz WHUIJFGIEALHQT-UHFFFAOYSA-N 2 0 388.375 2.709 20 0 GFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)c1ccc(Br)cc1 ZINC000878287400 662893153 /nfs/dbraw/zinc/89/31/53/662893153.db2.gz AYPGDCVHJSLMPN-VSZNYVQBSA-N 2 0 383.330 2.666 20 0 GFADRP [NH3+][C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000884187189 663066692 /nfs/dbraw/zinc/06/66/92/663066692.db2.gz WZBSCRWMOYRNLE-QGZVFWFLSA-N 2 0 380.330 2.972 20 0 GFADRP C[NH2+][C@H](C)Cc1noc(C2(c3ccc(Br)cc3)CC[NH2+]CC2)n1 ZINC000900008657 663706348 /nfs/dbraw/zinc/70/63/48/663706348.db2.gz OGDYNAMARVTHST-GFCCVEGCSA-N 2 0 379.302 2.652 20 0 GFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923368439 664628981 /nfs/dbraw/zinc/62/89/81/664628981.db2.gz CNDFPUAUGUUDGV-IUODEOHRSA-N 2 0 391.737 2.820 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc3c(cc1Br)OCCO3)CC2 ZINC000923457410 664630913 /nfs/dbraw/zinc/63/09/13/664630913.db2.gz VZWNIIPYSTXEFL-CQSZACIVSA-N 2 0 397.313 2.550 20 0 GFADRP Cc1cc(NC(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)ccc1Br ZINC000923457607 664630917 /nfs/dbraw/zinc/63/09/17/664630917.db2.gz JXXZXCKYGSLWPU-HNNXBMFYSA-N 2 0 396.329 2.526 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@H]2CCc3c2cccc3Br)CC12CC[NH2+]CC2 ZINC000925859076 664676384 /nfs/dbraw/zinc/67/63/84/664676384.db2.gz VMCOMAFORRNIDD-WBMJQRKESA-N 2 0 379.298 2.711 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(n3cc(Br)cn3)CC2)[C@@H](C)C1 ZINC000927008119 664702189 /nfs/dbraw/zinc/70/21/89/664702189.db2.gz NBRORGKMAFRTLW-RDJZCZTQSA-N 2 0 399.377 2.861 20 0 GFADRP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000931481750 664796187 /nfs/dbraw/zinc/79/61/87/664796187.db2.gz KQQXMNMEEYBRLS-UHFFFAOYSA-N 2 0 378.314 2.886 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1c(F)ccc(Br)c1F ZINC000933296940 664856086 /nfs/dbraw/zinc/85/60/86/664856086.db2.gz SJVZCKFSYRYMMB-UHFFFAOYSA-N 2 0 393.276 2.684 20 0 GFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@](C)(CO)c2cccc(Br)c2)CC1 ZINC000934496021 664908842 /nfs/dbraw/zinc/90/88/42/664908842.db2.gz HNTBPVLOEXANRF-LJQANCHMSA-N 2 0 398.389 2.662 20 0 GFADRP CC(C)Oc1ncnc2c1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164697113 719791484 /nfs/dbraw/zinc/79/14/84/719791484.db2.gz YVVRREDHXSXINU-UHFFFAOYSA-N 2 0 397.523 2.737 20 0 GFADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)cc[nH+]1)CC2 ZINC001164711523 720096210 /nfs/dbraw/zinc/09/62/10/720096210.db2.gz QGWMDPUYRVXZMV-LJQANCHMSA-N 2 0 382.508 2.993 20 0 GFADRP Clc1nc2c(c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n1)CC[NH2+]C2 ZINC001164953838 722013741 /nfs/dbraw/zinc/01/37/41/722013741.db2.gz GXINZDBBVDGEIT-UHFFFAOYSA-N 2 0 398.942 2.663 20 0 GFADRP COc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc(OC)c1OC ZINC000359878293 209200028 /nfs/dbraw/zinc/20/00/28/209200028.db2.gz QPXVBTZOHBTJQP-UHFFFAOYSA-N 2 0 378.513 2.647 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1Cl ZINC000110102035 551202708 /nfs/dbraw/zinc/20/27/08/551202708.db2.gz NIHYCOCWEMMRMA-OAHLLOKOSA-N 2 0 391.940 2.516 20 0 GFADRP O=C(NCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000166450153 551631726 /nfs/dbraw/zinc/63/17/26/551631726.db2.gz AMFIEPLZTPHHJU-DLBZAZTESA-N 2 0 380.330 2.785 20 0 GFADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000261653348 553155085 /nfs/dbraw/zinc/15/50/85/553155085.db2.gz FQEODZXWPZZHID-LBPRGKRZSA-N 2 0 376.353 2.872 20 0 GFADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261746839 553157842 /nfs/dbraw/zinc/15/78/42/553157842.db2.gz MGDXRZAAYICUHF-KSSFIOAISA-N 2 0 382.346 2.813 20 0 GFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1Br ZINC000261775761 553159258 /nfs/dbraw/zinc/15/92/58/553159258.db2.gz XKYIOGPPJDUPSV-WMZOPIPTSA-N 2 0 394.357 2.838 20 0 GFADRP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261970165 553163614 /nfs/dbraw/zinc/16/36/14/553163614.db2.gz YWQXSCBPFVYYCR-WMLDXEAASA-N 2 0 380.330 2.529 20 0 GFADRP C[C@@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1cccc(Br)c1 ZINC000262034357 553164696 /nfs/dbraw/zinc/16/46/96/553164696.db2.gz OJFRIODNRLYNDG-YOEHRIQHSA-N 2 0 382.346 2.872 20 0 GFADRP Ic1cccc(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427099638 563459732 /nfs/dbraw/zinc/45/97/32/563459732.db2.gz IJNOOZGUVCDMHW-CZUORRHYSA-N 2 0 386.277 2.744 20 0 GFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422991886 563352425 /nfs/dbraw/zinc/35/24/25/563352425.db2.gz QIHASEZGGOKKOR-RHSMWYFYSA-N 2 0 382.346 2.763 20 0 GFADRP Cc1cc(N2CC[C@@H]([NH2+]C3CCC(C[NH3+])CC3)C2=O)ccc1Br ZINC000423051778 563354141 /nfs/dbraw/zinc/35/41/41/563354141.db2.gz PACLYHLRKATACI-MQBCKMQZSA-N 2 0 380.330 2.970 20 0 GFADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1 ZINC000423377880 563360541 /nfs/dbraw/zinc/36/05/41/563360541.db2.gz FQBSOLKXTZALPA-RISCZKNCSA-N 2 0 380.252 2.936 20 0 GFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423541280 563361949 /nfs/dbraw/zinc/36/19/49/563361949.db2.gz RUHRSQMHRCGQLN-JTQLQIEISA-N 2 0 378.325 2.601 20 0 GFADRP Brc1cscc1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000285376281 563517499 /nfs/dbraw/zinc/51/74/99/563517499.db2.gz GJRBLZJDQIJXJG-UHFFFAOYSA-N 2 0 396.358 2.603 20 0 GFADRP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637940 563546680 /nfs/dbraw/zinc/54/66/80/563546680.db2.gz DSVKLVSPPXVDHO-HOCLYGCPSA-N 2 0 380.330 2.654 20 0 GFADRP CC[NH+]1CCN([C@H]2CCN(Cc3nc4cc(Br)ccc4o3)C2)CC1 ZINC000286194246 563551923 /nfs/dbraw/zinc/55/19/23/563551923.db2.gz AJQUVQMYPJPQMQ-HNNXBMFYSA-N 2 0 393.329 2.802 20 0 GFADRP C[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)C[NH+]1CCCCC1 ZINC000362802364 563709519 /nfs/dbraw/zinc/70/95/19/563709519.db2.gz LOHWWJILOCDCEX-INIZCTEOSA-N 2 0 385.599 2.613 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000439085903 563716667 /nfs/dbraw/zinc/71/66/67/563716667.db2.gz ARZOQEZYEGDRCO-UHFFFAOYSA-N 2 0 389.631 2.940 20 0 GFADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000414206205 563722749 /nfs/dbraw/zinc/72/27/49/563722749.db2.gz XZQJVDMGSAWXHH-INIZCTEOSA-N 2 0 396.373 2.896 20 0 GFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(C(F)(F)F)s2)(N2CCOCC2)CC1 ZINC000414484155 563744124 /nfs/dbraw/zinc/74/41/24/563744124.db2.gz NVFCSBWMZKKHJM-UHFFFAOYSA-N 2 0 377.476 2.653 20 0 GFADRP C[NH+]1CCC(C[NH2+]Cc2csc(Cl)c2Cl)(N2CCOCC2)CC1 ZINC000414484099 563744692 /nfs/dbraw/zinc/74/46/92/563744692.db2.gz NPBKBBYOYGDWDE-UHFFFAOYSA-N 2 0 378.369 2.941 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccsc1Br ZINC000449826286 564204947 /nfs/dbraw/zinc/20/49/47/564204947.db2.gz RNLNVUMWORVKNK-ZDUSSCGKSA-N 2 0 388.375 2.999 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccsc1Br ZINC000449880537 564207558 /nfs/dbraw/zinc/20/75/58/564207558.db2.gz PFKHLZDUKFEACI-UHFFFAOYSA-N 2 0 376.364 2.856 20 0 GFADRP CC(C)[NH2+]CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000564064611 564218454 /nfs/dbraw/zinc/21/84/54/564218454.db2.gz YKSOUEZDOZYXKE-UHFFFAOYSA-N 2 0 399.377 2.910 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1C ZINC000508075391 564253095 /nfs/dbraw/zinc/25/30/95/564253095.db2.gz INCUEIMKCTVPKJ-KRWDZBQOSA-N 2 0 387.977 2.685 20 0 GFADRP O=C(CSCC1CC[NH2+]CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000564926580 564258277 /nfs/dbraw/zinc/25/82/77/564258277.db2.gz LOSCYEHNEZOEBI-UHFFFAOYSA-N 2 0 379.595 2.907 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1cccc(Br)c1 ZINC000566107586 564310421 /nfs/dbraw/zinc/31/04/21/564310421.db2.gz NWIIYMCMZVSDMU-QGZVFWFLSA-N 2 0 383.330 2.653 20 0 GFADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000568521227 564423538 /nfs/dbraw/zinc/42/35/38/564423538.db2.gz UUKZBZDRZSUJKS-AWEZNQCLSA-N 2 0 382.346 2.857 20 0 GFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1I ZINC000482558323 564545552 /nfs/dbraw/zinc/54/55/52/564545552.db2.gz WJRIPGZJEFWEFI-ZDUSSCGKSA-N 2 0 388.293 2.646 20 0 GFADRP C[C@@H](C(=O)N(CCn1ccnc1)Cc1ccc(Br)o1)N1CC(C)C1 ZINC000572255695 564586930 /nfs/dbraw/zinc/58/69/30/564586930.db2.gz RUXFWILJYJYBEB-AWEZNQCLSA-N 2 0 395.301 2.608 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1cccc(Br)c1 ZINC000520284765 564601010 /nfs/dbraw/zinc/60/10/10/564601010.db2.gz JOKCEKHZZRZZSO-UHFFFAOYSA-N 2 0 399.377 2.864 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccccc1Br ZINC000520507594 564606259 /nfs/dbraw/zinc/60/62/59/564606259.db2.gz IDDGJWNGSWGKNX-KRWDZBQOSA-N 2 0 396.373 2.866 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccc(Br)cc1 ZINC000573668118 564648778 /nfs/dbraw/zinc/64/87/78/564648778.db2.gz QWIDTFALCPFONK-QGZVFWFLSA-N 2 0 380.330 2.615 20 0 GFADRP Brc1ccccc1-c1cnc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000581946842 564823464 /nfs/dbraw/zinc/82/34/64/564823464.db2.gz FBGDEGJTLGPBMW-CQSZACIVSA-N 2 0 391.313 2.584 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccnc2c(Br)cccc12 ZINC000562522495 565032432 /nfs/dbraw/zinc/03/24/32/565032432.db2.gz HRSLTODDUDEJLN-UHFFFAOYSA-N 2 0 379.346 2.923 20 0 GFADRP Cc1c(Br)cncc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000657303037 565096393 /nfs/dbraw/zinc/09/63/93/565096393.db2.gz ZKZBVBAPYXLHDU-UHFFFAOYSA-N 2 0 390.329 2.589 20 0 GFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(I)cc3)C2)CC1 ZINC000590645247 565194659 /nfs/dbraw/zinc/19/46/59/565194659.db2.gz HTEZXTSDGFVENJ-MRXNPFEDSA-N 2 0 399.320 2.549 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000638425688 565196948 /nfs/dbraw/zinc/19/69/48/565196948.db2.gz HBKZVJUTZSLIPO-AWEZNQCLSA-N 2 0 391.339 2.558 20 0 GFADRP COc1cc(Br)c(OCC[N@H+](C)CCC[NH3+])cc1Br ZINC000592473624 565278812 /nfs/dbraw/zinc/27/88/12/565278812.db2.gz IYWNBPIPSCJMCL-UHFFFAOYSA-N 2 0 396.123 2.880 20 0 GFADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)COc1ccc(Br)cc1 ZINC000663374429 565417010 /nfs/dbraw/zinc/41/70/10/565417010.db2.gz KJGGDHLNCFLXCU-GOSISDBHSA-N 2 0 397.357 2.900 20 0 GFADRP C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000663442741 565421523 /nfs/dbraw/zinc/42/15/23/565421523.db2.gz KLDXWALEIRAJDR-AWEZNQCLSA-N 2 0 385.350 2.693 20 0 GFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632305 565486739 /nfs/dbraw/zinc/48/67/39/565486739.db2.gz WIYPOGKDEVDGBV-HUUCEWRRSA-N 2 0 391.339 2.824 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(F)cncc1Br ZINC000668160280 565629523 /nfs/dbraw/zinc/62/95/23/565629523.db2.gz XVZRMHFKBUPASG-CQSZACIVSA-N 2 0 387.341 2.831 20 0 GFADRP Brc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(N2CCOCC2)c1 ZINC000647793020 565676937 /nfs/dbraw/zinc/67/69/37/565676937.db2.gz IALONGHUFFIYNV-QGPMSJSTSA-N 2 0 394.357 2.763 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1cccs1 ZINC000626920612 565715460 /nfs/dbraw/zinc/71/54/60/565715460.db2.gz GFLKLSPXHDVYAU-RWMBFGLXSA-N 2 0 378.464 2.520 20 0 GFADRP COc1nsc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1Br ZINC000602665416 565861309 /nfs/dbraw/zinc/86/13/09/565861309.db2.gz BFLQJFQGTRGODS-UHFFFAOYSA-N 2 0 380.377 2.831 20 0 GFADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653148927 565956165 /nfs/dbraw/zinc/95/61/65/565956165.db2.gz QBAVVIBBRQVTHM-KRWDZBQOSA-N 2 0 389.371 2.553 20 0 GFADRP [NH3+]C[C@@H](NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(F)(F)F ZINC000655911879 566094903 /nfs/dbraw/zinc/09/49/03/566094903.db2.gz ICOZJTITCQBLMR-ZIAGYGMSSA-N 2 0 378.826 2.666 20 0 GFADRP Clc1cc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc(Cl)c1Cl ZINC000655948790 566097557 /nfs/dbraw/zinc/09/75/57/566097557.db2.gz DMSKLJMCJFGVOE-UHFFFAOYSA-N 2 0 377.747 2.674 20 0 GFADRP Cc1[nH+]c2ccc(Br)cc2c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1C ZINC000656219389 566114163 /nfs/dbraw/zinc/11/41/63/566114163.db2.gz WBPIWVMQNZCMFS-LSDHHAIUSA-N 2 0 376.298 2.869 20 0 GFADRP C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000736137350 598285780 /nfs/dbraw/zinc/28/57/80/598285780.db2.gz WVZBHGUEAAAFOG-OAHLLOKOSA-N 2 0 395.486 2.608 20 0 GFADRP C[C@H](C[NH2+][C@H](c1nc(Br)cs1)C1CC1)CN1CC[NH+](C)CC1 ZINC000817577115 660201215 /nfs/dbraw/zinc/20/12/15/660201215.db2.gz DOAGDHWYNBDGBD-DOMZBBRYSA-N 2 0 387.391 2.830 20 0 GFADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822625439 660350102 /nfs/dbraw/zinc/35/01/02/660350102.db2.gz AQVZATYUKMWBQH-OAHLLOKOSA-N 2 0 378.388 2.986 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000060348623 654827964 /nfs/dbraw/zinc/82/79/64/654827964.db2.gz VDQJFLSPXQWFDB-AWEZNQCLSA-N 2 0 391.940 2.516 20 0 GFADRP COc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1S(=O)(=O)C(F)F ZINC000848559720 661664738 /nfs/dbraw/zinc/66/47/38/661664738.db2.gz YJKZBFKQDIUKRZ-SGMGOOAPSA-N 2 0 376.469 2.682 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(Br)c1 ZINC000849098181 661691905 /nfs/dbraw/zinc/69/19/05/661691905.db2.gz FZQQOJDHJPVXSK-UKRRQHHQSA-N 2 0 383.334 2.815 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C\c1ccc(Br)o1 ZINC000866084644 662459633 /nfs/dbraw/zinc/45/96/33/662459633.db2.gz WTTBYWFKABAYLG-NTMALXAHSA-N 2 0 386.334 2.787 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)c2sc3ncccc3c2Cl)C[C@H]1C[NH+](C)C ZINC000870016747 662671402 /nfs/dbraw/zinc/67/14/02/662671402.db2.gz XWVFNOZJUWIWKF-CHWSQXEVSA-N 2 0 380.945 2.761 20 0 GFADRP Cc1cc(Br)cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C ZINC000870018292 662671424 /nfs/dbraw/zinc/67/14/24/662671424.db2.gz ZYWLSLLPWQSINJ-HZPDHXFCSA-N 2 0 396.373 2.877 20 0 GFADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870856654 662703575 /nfs/dbraw/zinc/70/35/75/662703575.db2.gz VCDSEIPXKNRACB-KRWDZBQOSA-N 2 0 376.298 2.827 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000870893576 662707157 /nfs/dbraw/zinc/70/71/57/662707157.db2.gz YYMLBMDGKYDEFO-QGZVFWFLSA-N 2 0 380.330 2.783 20 0 GFADRP [NH3+][C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(Br)c1 ZINC000870899957 662707487 /nfs/dbraw/zinc/70/74/87/662707487.db2.gz HQXCLBZNROYXJB-QGZVFWFLSA-N 2 0 380.330 2.972 20 0 GFADRP C[NH+]1CCC(n2cc(NC(=O)[C@H]([NH3+])c3cccc(Br)c3)cn2)CC1 ZINC000877195178 662872177 /nfs/dbraw/zinc/87/21/77/662872177.db2.gz HHUGAWQVUVHMLF-MRXNPFEDSA-N 2 0 392.301 2.551 20 0 GFADRP Brc1ccc(OCCCC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000903750101 663805680 /nfs/dbraw/zinc/80/56/80/663805680.db2.gz USIRKDRWLIAVFQ-QGZVFWFLSA-N 2 0 382.346 2.588 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H](C)Cc2ccccc2Br)cnn1C ZINC000903920420 663811711 /nfs/dbraw/zinc/81/17/11/663811711.db2.gz JHRPOYANUYJGIF-UKRRQHHQSA-N 2 0 379.346 2.829 20 0 GFADRP Oc1ccc(Br)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903980123 663814890 /nfs/dbraw/zinc/81/48/90/663814890.db2.gz IQKPZZPTLNVFSE-IYBDPMFKSA-N 2 0 380.330 2.555 20 0 GFADRP COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1Br ZINC000903980225 663814943 /nfs/dbraw/zinc/81/49/43/663814943.db2.gz KREBLELPDPFMRV-CALCHBBNSA-N 2 0 394.357 2.858 20 0 GFADRP CCCC[C@@H](C[NH3+])NC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000911879725 664260458 /nfs/dbraw/zinc/26/04/58/664260458.db2.gz HVTUTUFRNYNJOU-INIZCTEOSA-N 2 0 382.346 2.704 20 0 GFADRP Cc1nc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)sc1Br ZINC000921926735 664576964 /nfs/dbraw/zinc/57/69/64/664576964.db2.gz DECRETUFTGYVSJ-UHFFFAOYSA-N 2 0 382.331 2.973 20 0 GFADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(O)ccc1Br)C2 ZINC000922390042 664598556 /nfs/dbraw/zinc/59/85/56/664598556.db2.gz ZRLIXLYDEZEITB-TVFCKZIOSA-N 2 0 383.330 2.724 20 0 GFADRP C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC[NH2+]CC1 ZINC000923279576 664627327 /nfs/dbraw/zinc/62/73/27/664627327.db2.gz QIIZLNSGICHNET-CYBMUJFWSA-N 2 0 377.710 2.526 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4c5ccccc5NC(=O)[C@@H]4C3)c2)CC1 ZINC001164404010 718859032 /nfs/dbraw/zinc/85/90/32/718859032.db2.gz OCTUFZSWZXTBRS-RBUKOAKNSA-N 2 0 378.476 2.727 20 0 GFADRP Cc1noc([C@@H]2C[C@@H]3CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@H]3O2)n1 ZINC001164656760 719301165 /nfs/dbraw/zinc/30/11/65/719301165.db2.gz YPWDGYVUFDUHSK-ZYSHUDEJSA-N 2 0 399.495 2.603 20 0 GFADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC[NH+]3CC(=O)NC)CC2)nc1 ZINC001164690083 719752682 /nfs/dbraw/zinc/75/26/82/719752682.db2.gz SCZMIHLVQLDBMA-HXUWFJFHSA-N 2 0 399.583 2.809 20 0 GFADRP COCc1nn(-c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)c2c1C[NH2+]C2 ZINC001164712344 720078777 /nfs/dbraw/zinc/07/87/77/720078777.db2.gz OYLVIWZMSJHXRW-UHFFFAOYSA-N 2 0 375.476 2.575 20 0 GFADRP Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)O2)n1 ZINC001164830564 720409319 /nfs/dbraw/zinc/40/93/19/720409319.db2.gz SDQNPETVQJVRHK-FHWLQOOXSA-N 2 0 399.495 2.745 20 0 GFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCC3)cc[nH+]2)[C@H]2CCCO[C@@H]12 ZINC001164798221 721567247 /nfs/dbraw/zinc/56/72/47/721567247.db2.gz AZUFHDNORWZSFY-QZNHQXDQSA-N 2 0 393.535 2.945 20 0 GFADRP O=S(=O)(NCC[NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(Cl)s1 ZINC000127801757 551345054 /nfs/dbraw/zinc/34/50/54/551345054.db2.gz LYKCPORLPPHNDI-UHFFFAOYSA-N 2 0 396.925 2.655 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000152682068 551437955 /nfs/dbraw/zinc/43/79/55/551437955.db2.gz DPHFXADZFAPWNS-CKEIUWERSA-N 2 0 382.346 2.887 20 0 GFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000181689304 552265233 /nfs/dbraw/zinc/26/52/33/552265233.db2.gz AOISQGMDLVPFDO-HUUCEWRRSA-N 2 0 384.362 2.992 20 0 GFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCOc1cc(F)cc(Br)c1 ZINC000189292816 552468218 /nfs/dbraw/zinc/46/82/18/552468218.db2.gz GMBDHFMESRDSIZ-UHFFFAOYSA-N 2 0 388.325 2.536 20 0 GFADRP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000193474325 552994557 /nfs/dbraw/zinc/99/45/57/552994557.db2.gz MJKUXDQOEUTHCY-HNNXBMFYSA-N 2 0 395.345 2.981 20 0 GFADRP C[C@]([NH3+])(C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000261637275 553155405 /nfs/dbraw/zinc/15/54/05/553155405.db2.gz ALYWYNNSHQAQDG-YQVWRLOYSA-N 2 0 388.309 2.576 20 0 GFADRP C[C@@H]([NH3+])CCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000277551736 563212932 /nfs/dbraw/zinc/21/29/32/563212932.db2.gz YUYHRWZTCJAPEG-CQSZACIVSA-N 2 0 398.345 2.536 20 0 GFADRP NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000295170206 563232713 /nfs/dbraw/zinc/23/27/13/563232713.db2.gz LJUJVTPIMXDCGQ-HUUCEWRRSA-N 2 0 384.293 2.505 20 0 GFADRP C[NH+](C)CC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)C(C)(C)C ZINC000372042620 563294532 /nfs/dbraw/zinc/29/45/32/563294532.db2.gz OCVMQQNDONUYTB-MRXNPFEDSA-N 2 0 387.615 2.857 20 0 GFADRP Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422700827 563348156 /nfs/dbraw/zinc/34/81/56/563348156.db2.gz ASXYXWXRFIUYCN-CIRFHOKZSA-N 2 0 394.357 2.775 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2ccc(Br)s2)CC[NH2+]CC1 ZINC000422710215 563348362 /nfs/dbraw/zinc/34/83/62/563348362.db2.gz FIKPHFOARYONBA-LBPRGKRZSA-N 2 0 389.359 2.964 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422878212 563350191 /nfs/dbraw/zinc/35/01/91/563350191.db2.gz JNIIOAYFHBHBIW-QGZVFWFLSA-N 2 0 385.346 2.841 20 0 GFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422989551 563352585 /nfs/dbraw/zinc/35/25/85/563352585.db2.gz LRLIHTVJTKGEGF-YOEHRIQHSA-N 2 0 382.346 2.893 20 0 GFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c2ccccc21 ZINC000423100924 563355388 /nfs/dbraw/zinc/35/53/88/563355388.db2.gz NBJGTGJGJWWXHG-IAGOWNOFSA-N 2 0 379.913 2.743 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423196515 563358800 /nfs/dbraw/zinc/35/88/00/563358800.db2.gz ZWTBVSDFOQNNPG-KYNGSXCRSA-N 2 0 396.373 2.755 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Br)ccc1F ZINC000423467549 563361524 /nfs/dbraw/zinc/36/15/24/563361524.db2.gz XQPTVCMRWBHUIH-LSKLOWJMSA-N 2 0 398.320 2.886 20 0 GFADRP COC(=O)c1ccc(C[NH2+][C@H]2CCc3nc(C)cn3C2)c(Br)c1 ZINC000375312142 563399272 /nfs/dbraw/zinc/39/92/72/563399272.db2.gz YWQSOOZPBTYWQP-AWEZNQCLSA-N 2 0 378.270 2.845 20 0 GFADRP C[NH+](C)CC1(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)CCCC1 ZINC000376923409 563458807 /nfs/dbraw/zinc/45/88/07/563458807.db2.gz ANLLBVWDWXRHFQ-UHFFFAOYSA-N 2 0 385.599 2.613 20 0 GFADRP Clc1cccc(CC[NH2+]C2CCN(CCN3CCOCC3)CC2)c1Cl ZINC000364457199 563753470 /nfs/dbraw/zinc/75/34/70/563753470.db2.gz JVBZJZVMNRSYCF-UHFFFAOYSA-N 2 0 386.367 2.922 20 0 GFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000414996863 563756469 /nfs/dbraw/zinc/75/64/69/563756469.db2.gz GUPZMIKAEOIVHL-WMLDXEAASA-N 2 0 382.346 2.893 20 0 GFADRP CSc1ccc([C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[NH+](C)C)cc1 ZINC000416038786 563804079 /nfs/dbraw/zinc/80/40/79/563804079.db2.gz FKLXBAHRCRFXGK-KBPBESRZSA-N 2 0 378.464 2.590 20 0 GFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000564823214 564250401 /nfs/dbraw/zinc/25/04/01/564250401.db2.gz WMVDVPSYQVTPRL-IXDOHACOSA-N 2 0 385.599 2.802 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1C ZINC000508084012 564252652 /nfs/dbraw/zinc/25/26/52/564252652.db2.gz WTMZNBNHLBHXFN-QGZVFWFLSA-N 2 0 387.977 2.685 20 0 GFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000479295876 564435736 /nfs/dbraw/zinc/43/57/36/564435736.db2.gz XUGGWEGEPSCDKG-GOEBONIOSA-N 2 0 382.346 2.557 20 0 GFADRP COc1cc(C[NH2+]CCCC[NH+](C)C)cc(I)c1OC ZINC000520221001 564598914 /nfs/dbraw/zinc/59/89/14/564598914.db2.gz DFXPJNPSSZAZNX-UHFFFAOYSA-N 2 0 392.281 2.740 20 0 GFADRP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000574069970 564667336 /nfs/dbraw/zinc/66/73/36/564667336.db2.gz NQIHYEDPQSVUQP-FGTMMUONSA-N 2 0 385.961 2.519 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000552088665 564676433 /nfs/dbraw/zinc/67/64/33/564676433.db2.gz OYMTUZTZXVZBNZ-BZPMIXESSA-N 2 0 394.368 2.590 20 0 GFADRP C[C@@H]1C[N@H+](CCOc2ccc(Br)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490699967 564780403 /nfs/dbraw/zinc/78/04/03/564780403.db2.gz OMWHIOVQYYGIMW-VQIMIIECSA-N 2 0 396.373 2.786 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(Br)cc1F ZINC000529566152 564843208 /nfs/dbraw/zinc/84/32/08/564843208.db2.gz AUSPNBSTKQOGIA-OAHLLOKOSA-N 2 0 387.341 2.831 20 0 GFADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000657870732 565135033 /nfs/dbraw/zinc/13/50/33/565135033.db2.gz FFXCDGRJLHEWMC-FUHWJXTLSA-N 2 0 396.373 2.947 20 0 GFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ncc(Br)cc1F ZINC000658106108 565150787 /nfs/dbraw/zinc/15/07/87/565150787.db2.gz FTRNPAFJEHCBSN-QWHCGFSZSA-N 2 0 375.330 2.906 20 0 GFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638555179 565201529 /nfs/dbraw/zinc/20/15/29/565201529.db2.gz XOJDLKWDILQNCH-CQSZACIVSA-N 2 0 395.345 2.954 20 0 GFADRP C[C@@H]([NH2+]CCOc1ccc(I)cc1)C1CC[NH+](C)CC1 ZINC000619754098 565359050 /nfs/dbraw/zinc/35/90/50/565359050.db2.gz CAUIKDAANDYQTQ-CYBMUJFWSA-N 2 0 388.293 2.990 20 0 GFADRP COCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644540854 565480470 /nfs/dbraw/zinc/48/04/70/565480470.db2.gz ICVSXYISYVKEJI-HNNXBMFYSA-N 2 0 391.339 2.824 20 0 GFADRP CC[N@H+](C)C[C@H]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214702 565606866 /nfs/dbraw/zinc/60/68/66/565606866.db2.gz NFEUQKGYEKCEGK-DYVFJYSZSA-N 2 0 380.330 2.976 20 0 GFADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC1(C)C[NH2+]C1 ZINC000648151577 565692158 /nfs/dbraw/zinc/69/21/58/565692158.db2.gz SPNXNWKCJHSXOY-UHFFFAOYSA-N 2 0 388.339 2.652 20 0 GFADRP COc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1O ZINC000650707362 565832530 /nfs/dbraw/zinc/83/25/30/565832530.db2.gz DQHRPTAXRZFISI-DXCKQFNASA-N 2 0 399.329 2.882 20 0 GFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc4c(c(Br)c3)OCO4)C2)C1 ZINC000650705669 565833076 /nfs/dbraw/zinc/83/30/76/565833076.db2.gz PNTHWDYUORVKIX-SQWLQELKSA-N 2 0 397.313 2.896 20 0 GFADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346633 565922819 /nfs/dbraw/zinc/92/28/19/565922819.db2.gz BVUMQKAWTZKKPD-OFQRWUPVSA-N 2 0 385.961 2.578 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(OC)c(Br)cc2F)CC1 ZINC000631041954 565934733 /nfs/dbraw/zinc/93/47/33/565934733.db2.gz VCSVMVSYAGONND-UHFFFAOYSA-N 2 0 388.325 2.714 20 0 GFADRP C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000824612215 608283984 /nfs/dbraw/zinc/28/39/84/608283984.db2.gz KVCBXTBQNRFTKH-CQSZACIVSA-N 2 0 384.459 2.797 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000819172941 660248796 /nfs/dbraw/zinc/24/87/96/660248796.db2.gz HRRMIBDAWIUARW-IPMKNSEASA-N 2 0 397.357 2.840 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000133395075 654963198 /nfs/dbraw/zinc/96/31/98/654963198.db2.gz YAHOFJWWGWLHRZ-UHFFFAOYSA-N 2 0 393.276 2.684 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CC1(Cl)Cl ZINC000838673322 661053408 /nfs/dbraw/zinc/05/34/08/661053408.db2.gz XETDSAIAZBARJO-HOCLYGCPSA-N 2 0 379.376 2.628 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000103213281 655069147 /nfs/dbraw/zinc/06/91/47/655069147.db2.gz NXBUZFQPAMKOAV-IRXDYDNUSA-N 2 0 382.346 2.504 20 0 GFADRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000104167561 655079220 /nfs/dbraw/zinc/07/92/20/655079220.db2.gz ROQHAQGGLVNVAM-UONOGXRCSA-N 2 0 386.371 2.985 20 0 GFADRP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(Br)cn1)C(=O)NCC[NH+](C)C ZINC000578412370 655478230 /nfs/dbraw/zinc/47/82/30/655478230.db2.gz ILRXBACXNFNPTI-CJNGLKHVSA-N 2 0 385.350 2.587 20 0 GFADRP O=C1[C@H]([N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000579834968 655504549 /nfs/dbraw/zinc/50/45/49/655504549.db2.gz MYSXTGFXVUWQBB-RLFYNMQTSA-N 2 0 392.341 2.876 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000845411213 661469520 /nfs/dbraw/zinc/46/95/20/661469520.db2.gz QEIVMLBYVMCTAD-BPQIPLTHSA-N 2 0 376.948 2.749 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873253044 662804622 /nfs/dbraw/zinc/80/46/22/662804622.db2.gz YEHKEGWAPOBGQV-OTVXOJSOSA-N 2 0 380.330 2.689 20 0 GFADRP COc1c(Br)cccc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669324 662881360 /nfs/dbraw/zinc/88/13/60/662881360.db2.gz DLRNPMGNCLNZFR-HZPDHXFCSA-N 2 0 384.362 2.629 20 0 GFADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000878651170 662901839 /nfs/dbraw/zinc/90/18/39/662901839.db2.gz VVKGKXTWOZXPLK-MRXNPFEDSA-N 2 0 394.357 2.524 20 0 GFADRP [NH3+][C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000884187188 663066748 /nfs/dbraw/zinc/06/67/48/663066748.db2.gz WZBSCRWMOYRNLE-KRWDZBQOSA-N 2 0 380.330 2.972 20 0 GFADRP [NH3+][C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000884227306 663067299 /nfs/dbraw/zinc/06/72/99/663067299.db2.gz MLWMEPWHVFSATP-YOEHRIQHSA-N 2 0 380.330 2.783 20 0 GFADRP [NH3+][C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000884420609 663070485 /nfs/dbraw/zinc/07/04/85/663070485.db2.gz YKJSEMYOIJSLDD-KRWDZBQOSA-N 2 0 380.330 2.687 20 0 GFADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000884422561 663070505 /nfs/dbraw/zinc/07/05/05/663070505.db2.gz ZUVCCCMQUOBCKW-WMLDXEAASA-N 2 0 380.330 2.687 20 0 GFADRP CSC1(CNC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)CC[NH+](C)CC1 ZINC000891907705 663355184 /nfs/dbraw/zinc/35/51/84/663355184.db2.gz SXHILQFZVUHSSK-UHFFFAOYSA-N 2 0 384.977 2.638 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)ccc2Br)CC1 ZINC000893038088 663394033 /nfs/dbraw/zinc/39/40/33/663394033.db2.gz MMMIBPMFWGIUMW-UHFFFAOYSA-N 2 0 392.135 2.758 20 0 GFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000893366607 663408545 /nfs/dbraw/zinc/40/85/45/663408545.db2.gz FAZGWXRIUYWCHA-MRXNPFEDSA-N 2 0 386.334 2.854 20 0 GFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1c(I)cnn1C ZINC000894385837 663459581 /nfs/dbraw/zinc/45/95/81/663459581.db2.gz ZKXWGENOTHIAAE-LBPRGKRZSA-N 2 0 378.302 2.625 20 0 GFADRP O=C(CC[N@@H+]1CC[NH2+]CCC12CCOCC2)Nc1cccc(Br)c1 ZINC000903817607 663807454 /nfs/dbraw/zinc/80/74/54/663807454.db2.gz AKFFTYKWYAKTGX-UHFFFAOYSA-N 2 0 396.329 2.622 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc2ccccc2Br)cnn1C ZINC000903920416 663811682 /nfs/dbraw/zinc/81/16/82/663811682.db2.gz JHRPOYANUYJGIF-DZGCQCFKSA-N 2 0 379.346 2.829 20 0 GFADRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000923289632 664627575 /nfs/dbraw/zinc/62/75/75/664627575.db2.gz RFOZCLJGTJFJJG-QKCSRTOESA-N 2 0 377.710 2.511 20 0 GFADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923300264 664627865 /nfs/dbraw/zinc/62/78/65/664627865.db2.gz PHXTWBXWJXLYLV-WFASDCNBSA-N 2 0 379.726 2.805 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923361705 664628929 /nfs/dbraw/zinc/62/89/29/664628929.db2.gz KZLGFJNBMXQZBG-KYJSFNMBSA-N 2 0 389.323 2.561 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCC(=O)Nc1ccccc1Br)CC2 ZINC000923450838 664630764 /nfs/dbraw/zinc/63/07/64/664630764.db2.gz XJMCVGRRSDAPOJ-CQSZACIVSA-N 2 0 396.329 2.608 20 0 GFADRP CC(C)C[C@H]([NH2+][C@H](C)c1cccc(Br)n1)C(=O)NCC[NH+](C)C ZINC000925952855 664678061 /nfs/dbraw/zinc/67/80/61/664678061.db2.gz KUSZLTQFQFHHJD-HIFRSBDPSA-N 2 0 385.350 2.587 20 0 GFADRP CN1CC[C@H]([NH2+]CCOCC[NH+](C)C)C[C@@H]1c1ccc(Br)cc1 ZINC000926251600 664685683 /nfs/dbraw/zinc/68/56/83/664685683.db2.gz BFWPDCPZSVDUSH-ZWKOTPCHSA-N 2 0 384.362 2.752 20 0 GFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1(C)C ZINC000926358363 664688599 /nfs/dbraw/zinc/68/85/99/664688599.db2.gz XSAJCWVWIMFFKP-MRXNPFEDSA-N 2 0 381.362 2.837 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000926686513 664695451 /nfs/dbraw/zinc/69/54/51/664695451.db2.gz PRZOZMRPVGUWQA-STQMWFEESA-N 2 0 375.330 2.906 20 0 GFADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)nc1 ZINC001164426061 718919130 /nfs/dbraw/zinc/91/91/30/718919130.db2.gz WDTNGDFXFCFIMB-IFMALSPDSA-N 2 0 388.556 2.604 20 0 GFADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2[C@H]3C[NH2+]C[C@H]3C[C@H]2C(=O)OCC)nc1 ZINC001164618177 719019206 /nfs/dbraw/zinc/01/92/06/719019206.db2.gz QLWRDAHHKRTVEH-ZRNYENFQSA-N 2 0 386.540 2.748 20 0 GFADRP CC(C)N(c1cc(OC2CC[NH+](C)CC2)ccn1)c1ncnc2c1CC[NH2+]CC2 ZINC001164662798 719344816 /nfs/dbraw/zinc/34/48/16/719344816.db2.gz SRVZXAVILFXVMR-UHFFFAOYSA-N 2 0 396.539 2.579 20 0 GFADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCC[NH+]3CC(=O)NC)CC2)nc1 ZINC001164690082 719753311 /nfs/dbraw/zinc/75/33/11/719753311.db2.gz SCZMIHLVQLDBMA-FQEVSTJZSA-N 2 0 399.583 2.809 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)[nH+]1 ZINC001164889510 721417091 /nfs/dbraw/zinc/41/70/91/721417091.db2.gz RIFPLFJKBSJFFH-AVRDEDQJSA-N 2 0 383.540 2.637 20 0 GFADRP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(-n5ccnc5)cc[nH+]4)CC[N@@H+]3C2)c1 ZINC001164903095 721561039 /nfs/dbraw/zinc/56/10/39/721561039.db2.gz AIECJTZBVNOACL-UYAOXDASSA-N 2 0 379.439 2.748 20 0 GFADRP Cc1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1C1C[NH2+]C1 ZINC001165023949 721832522 /nfs/dbraw/zinc/83/25/22/721832522.db2.gz IWEDEHBJGPLGAB-YYWHXJBOSA-N 2 0 392.551 2.604 20 0 GFADRP c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(c2ccc(OCC4CC[NH2+]CC4)cn2)C3)co1 ZINC001164929614 721901929 /nfs/dbraw/zinc/90/19/29/721901929.db2.gz GRVLTVGECIESJC-UXHICEINSA-N 2 0 382.508 2.764 20 0 GFADRP C[N@H+](Cc1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)nc1)C1CC1 ZINC001164958021 722051408 /nfs/dbraw/zinc/05/14/08/722051408.db2.gz AKWVNUUWJHTXMA-NOXFTYBFSA-N 2 0 393.535 2.976 20 0 GFADRP Cc1nc2c(s1)[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC2 ZINC000359894474 209199697 /nfs/dbraw/zinc/19/96/97/209199697.db2.gz GBQQKOWVTSTCSX-KRWDZBQOSA-N 2 0 381.590 2.744 20 0 GFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ncc(Br)cc1F ZINC000187164466 552408231 /nfs/dbraw/zinc/40/82/31/552408231.db2.gz NQGSSSMDWPXYHB-CYBMUJFWSA-N 2 0 387.341 2.907 20 0 GFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188699555 552452927 /nfs/dbraw/zinc/45/29/27/552452927.db2.gz IGYZBDJYCNAMHL-HNNXBMFYSA-N 2 0 382.346 2.717 20 0 GFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000247311055 553121009 /nfs/dbraw/zinc/12/10/09/553121009.db2.gz QYCUQKVFTLFISL-GDBMZVCRSA-N 2 0 395.345 2.979 20 0 GFADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261746838 553157989 /nfs/dbraw/zinc/15/79/89/553157989.db2.gz MGDXRZAAYICUHF-KDOFPFPSSA-N 2 0 382.346 2.813 20 0 GFADRP C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C(C)(C)C[NH+](C)C ZINC000567689091 564383670 /nfs/dbraw/zinc/38/36/70/564383670.db2.gz CBQCGTGQEADLLL-WFASDCNBSA-N 2 0 391.325 2.894 20 0 GFADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCc2sc(Br)cc21)N1CC[NH2+]CC1 ZINC000423404972 563360168 /nfs/dbraw/zinc/36/01/68/563360168.db2.gz YNTWQLQAFWALPH-PWSUYJOCSA-N 2 0 398.292 2.924 20 0 GFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418569273 563220151 /nfs/dbraw/zinc/22/01/51/563220151.db2.gz HVAPTMZNZOKBLE-PBHICJAKSA-N 2 0 397.361 2.520 20 0 GFADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772970 563349312 /nfs/dbraw/zinc/34/93/12/563349312.db2.gz ZXGYNFKHJXJUGO-GFCCVEGCSA-N 2 0 377.348 2.718 20 0 GFADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)COc1ccccc1Br ZINC000422937670 563351600 /nfs/dbraw/zinc/35/16/00/563351600.db2.gz JSHMEXKQXDUYGV-TXCZRRACSA-N 2 0 383.330 2.699 20 0 GFADRP COc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc(Br)c1OC ZINC000422948235 563351886 /nfs/dbraw/zinc/35/18/86/563351886.db2.gz RNXGAGKUWSQOEJ-CWRNSKLLSA-N 2 0 399.329 2.713 20 0 GFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423109833 563355346 /nfs/dbraw/zinc/35/53/46/563355346.db2.gz VCSIMVOAHQOJLV-JKSUJKDBSA-N 2 0 387.977 2.909 20 0 GFADRP O=S(=O)(NCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423096406 563355629 /nfs/dbraw/zinc/35/56/29/563355629.db2.gz HQZIVWKBOPIACX-USXIJHARSA-N 2 0 385.961 2.519 20 0 GFADRP FC(F)(F)[C@H](C[NH2+][C@H]1CCCOc2cc(Cl)ccc21)N1CC[NH2+]CC1 ZINC000423395466 563360154 /nfs/dbraw/zinc/36/01/54/563360154.db2.gz SPYKYHJZRDHHBD-HOCLYGCPSA-N 2 0 377.838 2.979 20 0 GFADRP FC(F)(F)[C@H](C[NH2+][C@H]1CCc2c1cccc2Br)N1CC[NH2+]CC1 ZINC000423387003 563360632 /nfs/dbraw/zinc/36/06/32/563360632.db2.gz LVSYKGLWXTUDGJ-GJZGRUSLSA-N 2 0 392.263 2.862 20 0 GFADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N(C)Cc1ccccc1Br)CC[NH2+]CC2 ZINC000424291358 563375740 /nfs/dbraw/zinc/37/57/40/563375740.db2.gz NQCUKCZVVUUAAG-OAHLLOKOSA-N 2 0 394.357 2.872 20 0 GFADRP C[NH+](C)C1CCN(CC[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000281892908 563389131 /nfs/dbraw/zinc/38/91/31/563389131.db2.gz FAZHXOQUORSWKH-UHFFFAOYSA-N 2 0 376.289 2.843 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[NH+](C[C@@H](C)O)CC3)c2cc1Br ZINC000425250184 563415034 /nfs/dbraw/zinc/41/50/34/563415034.db2.gz CVQPPVASMLQBJO-GFCCVEGCSA-N 2 0 380.286 2.509 20 0 GFADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/c3csc(Br)c3)C2)CC1 ZINC000377793902 563486973 /nfs/dbraw/zinc/48/69/73/563486973.db2.gz IZWVYSUMZXPFKS-BAABZTOOSA-N 2 0 398.370 2.809 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000433160077 563604758 /nfs/dbraw/zinc/60/47/58/563604758.db2.gz GHLDMPDTPZZLQL-UHFFFAOYSA-N 2 0 394.357 2.800 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccc(Br)cc2Cl)CC1 ZINC000433162139 563604970 /nfs/dbraw/zinc/60/49/70/563604970.db2.gz LNNPOUMPIBZFSJ-UHFFFAOYSA-N 2 0 388.737 2.922 20 0 GFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc4c(cc3Br)OCO4)CC2)C1 ZINC000333209910 563624201 /nfs/dbraw/zinc/62/42/01/563624201.db2.gz ZMHHGTVONACEBW-GOEBONIOSA-N 2 0 397.313 2.896 20 0 GFADRP C[C@@H](CC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[NH+]1CCCCC1 ZINC000363867511 563735504 /nfs/dbraw/zinc/73/55/04/563735504.db2.gz YUTLYTRDISRXTA-INIZCTEOSA-N 2 0 385.599 2.755 20 0 GFADRP CCC[N@@H+](Cc1ccccc1Br)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414736115 563751919 /nfs/dbraw/zinc/75/19/19/563751919.db2.gz CSYQVXXHRSYAFE-HNNXBMFYSA-N 2 0 382.346 2.858 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)C1 ZINC000414753344 563752114 /nfs/dbraw/zinc/75/21/14/563752114.db2.gz MAIIGZZKJMSBHZ-DYVFJYSZSA-N 2 0 398.320 2.922 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]([NH3+])C(C)C)CC1 ZINC000414797296 563752692 /nfs/dbraw/zinc/75/26/92/563752692.db2.gz PBXCJKZRDKERSJ-QGZVFWFLSA-N 2 0 382.346 2.935 20 0 GFADRP Cc1cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)sc1Br ZINC000414995318 563756344 /nfs/dbraw/zinc/75/63/44/563756344.db2.gz WHKHSPZQIFFLQF-NSHDSACASA-N 2 0 386.281 2.745 20 0 GFADRP COc1cc(C[NH2+][C@H](C)CCCC[NH3+])cc(I)c1OC ZINC000415017555 563756954 /nfs/dbraw/zinc/75/69/54/563756954.db2.gz SJZXYJWRSPPDQM-LLVKDONJSA-N 2 0 392.281 2.916 20 0 GFADRP C[C@H](C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1cccc(Br)c1 ZINC000415102692 563759361 /nfs/dbraw/zinc/75/93/61/563759361.db2.gz CQVXYRGAKRXPLF-DYVFJYSZSA-N 2 0 378.318 2.940 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062703 563790250 /nfs/dbraw/zinc/79/02/50/563790250.db2.gz VCRMDSDVKBWMCT-HUUCEWRRSA-N 2 0 382.346 2.857 20 0 GFADRP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000449134139 563906741 /nfs/dbraw/zinc/90/67/41/563906741.db2.gz HDJUKBHCQGDBRH-KBPBESRZSA-N 2 0 388.339 2.938 20 0 GFADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000564846573 564252625 /nfs/dbraw/zinc/25/26/25/564252625.db2.gz PVAVZSHCDYMTLW-QGZVFWFLSA-N 2 0 385.346 2.899 20 0 GFADRP Cc1cc(Br)cn2c(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)cnc12 ZINC000541382157 564276818 /nfs/dbraw/zinc/27/68/18/564276818.db2.gz PGDIJKXWMJWOEN-UHFFFAOYSA-N 2 0 395.345 2.730 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc(Br)s1 ZINC000511072524 564355936 /nfs/dbraw/zinc/35/59/36/564355936.db2.gz DVGFNISPQOKQFS-UHFFFAOYSA-N 2 0 390.391 2.785 20 0 GFADRP C[C@@](O)(C[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000567345300 564367771 /nfs/dbraw/zinc/36/77/71/564367771.db2.gz CDPUVXWTHBIQBC-MRXNPFEDSA-N 2 0 379.854 2.755 20 0 GFADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000567605305 564379370 /nfs/dbraw/zinc/37/93/70/564379370.db2.gz MXVKLBJWZOOGEN-RDJZCZTQSA-N 2 0 385.346 2.756 20 0 GFADRP CC(C)[N@H+](C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)C[C@@H]1C ZINC000456374784 564603885 /nfs/dbraw/zinc/60/38/85/564603885.db2.gz QOBRQTZKBUUDEZ-AWEZNQCLSA-N 2 0 397.361 2.868 20 0 GFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc(I)c1 ZINC000551597156 564657148 /nfs/dbraw/zinc/65/71/48/564657148.db2.gz ZHGYVNVTRLJXQH-OAHLLOKOSA-N 2 0 376.282 2.738 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccccc1Br ZINC000523392053 564665660 /nfs/dbraw/zinc/66/56/60/564665660.db2.gz JBFPCWGAQJKSRX-OAHLLOKOSA-N 2 0 382.346 2.937 20 0 GFADRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@H]2CCC[C@H]21 ZINC000552226031 564682948 /nfs/dbraw/zinc/68/29/48/564682948.db2.gz USVBXYNWXASQNG-IXDOHACOSA-N 2 0 380.330 2.641 20 0 GFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCn2cc(Br)cn2)[C@H](C)C1 ZINC000490404407 564769873 /nfs/dbraw/zinc/76/98/73/564769873.db2.gz RFMFIHCZGUOHPW-NVXWUHKLSA-N 2 0 387.366 2.762 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000556031618 564811479 /nfs/dbraw/zinc/81/14/79/564811479.db2.gz TYDNCXYQUUZXPS-UHFFFAOYSA-N 2 0 397.361 2.895 20 0 GFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000581801510 564818402 /nfs/dbraw/zinc/81/84/02/564818402.db2.gz ILVZZJHJUQKZEH-ANQUJSFKSA-N 2 0 385.961 2.677 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(F)cccc1Cl ZINC000463685447 564887251 /nfs/dbraw/zinc/88/72/51/564887251.db2.gz SBERULFVQILBAB-AWEZNQCLSA-N 2 0 391.940 2.516 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000531428332 564909388 /nfs/dbraw/zinc/90/93/88/564909388.db2.gz RZUJFPCOLVUXKG-UHFFFAOYSA-N 2 0 389.974 2.669 20 0 GFADRP Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000532107430 564928751 /nfs/dbraw/zinc/92/87/51/564928751.db2.gz IOJPRLQFDROIFF-UHFFFAOYSA-N 2 0 387.933 2.509 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1 ZINC000499505776 564929877 /nfs/dbraw/zinc/92/98/77/564929877.db2.gz CWAYEUBIHAKGCR-QGZVFWFLSA-N 2 0 382.346 2.937 20 0 GFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](CCO)c2ccccc2Br)CC1 ZINC000501055710 564969082 /nfs/dbraw/zinc/96/90/82/564969082.db2.gz QGVUZKABPIZUMR-LJQANCHMSA-N 2 0 398.389 2.878 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(F)cc(Br)c1 ZINC000502588686 565001799 /nfs/dbraw/zinc/00/17/99/565001799.db2.gz SNKNWKOWCMBJGF-UHFFFAOYSA-N 2 0 388.325 2.934 20 0 GFADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354677 565160058 /nfs/dbraw/zinc/16/00/58/565160058.db2.gz FVVQNIYQPCVSHX-AWEZNQCLSA-N 2 0 382.346 2.711 20 0 GFADRP C[NH+](C)[C@@H](CNC(=O)NCc1nccn1CC(F)(F)F)c1ccsc1 ZINC000590156782 565178719 /nfs/dbraw/zinc/17/87/19/565178719.db2.gz AAQBCMWESMMNHQ-LBPRGKRZSA-N 2 0 375.420 2.609 20 0 GFADRP COCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644540857 565480180 /nfs/dbraw/zinc/48/01/80/565480180.db2.gz ICVSXYISYVKEJI-OAHLLOKOSA-N 2 0 391.339 2.824 20 0 GFADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)n1 ZINC000665292623 565496124 /nfs/dbraw/zinc/49/61/24/565496124.db2.gz FNFIOERAUDBZKW-HNNXBMFYSA-N 2 0 377.286 2.514 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)ccc1I ZINC000596649189 565530651 /nfs/dbraw/zinc/53/06/51/565530651.db2.gz CHCGGZJCSSXMPK-LBPRGKRZSA-N 2 0 382.673 2.788 20 0 GFADRP Brc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(N2CCOCC2)c1 ZINC000666955406 565564388 /nfs/dbraw/zinc/56/43/88/565564388.db2.gz GUKINGZFQKQBFT-QGZVFWFLSA-N 2 0 380.330 2.517 20 0 GFADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000671099094 565751547 /nfs/dbraw/zinc/75/15/47/565751547.db2.gz ODUAOFFRFANIEN-XHSDSOJGSA-N 2 0 384.362 2.957 20 0 GFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Br)c1O ZINC000650708166 565833164 /nfs/dbraw/zinc/83/31/64/565833164.db2.gz UQUJKPWKQURIMA-BJJXKVORSA-N 2 0 399.329 2.882 20 0 GFADRP COc1cc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(F)cc1Br ZINC000631064854 565936861 /nfs/dbraw/zinc/93/68/61/565936861.db2.gz TTXFAMNPAXKCSK-CYBMUJFWSA-N 2 0 388.325 2.570 20 0 GFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631084875 565939865 /nfs/dbraw/zinc/93/98/65/565939865.db2.gz GZVIPCQHDJWNED-UHFFFAOYSA-N 2 0 387.977 2.835 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679341877 566038659 /nfs/dbraw/zinc/03/86/59/566038659.db2.gz YUKXXSUHSYOFPP-IAGOWNOFSA-N 2 0 383.330 2.716 20 0 GFADRP Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000679816805 566053467 /nfs/dbraw/zinc/05/34/67/566053467.db2.gz YQWOUYHKZZRDFJ-GASCZTMLSA-N 2 0 380.330 2.936 20 0 GFADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)C[C@@H](C)O1 ZINC000820759105 606209883 /nfs/dbraw/zinc/20/98/83/606209883.db2.gz HDZJVTDKFDOYND-HUUCEWRRSA-N 2 0 398.536 2.827 20 0 GFADRP c1sc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1-c1nn[nH]n1 ZINC000826521734 608135930 /nfs/dbraw/zinc/13/59/30/608135930.db2.gz XATKJRQNQINBET-KFKAGJAMSA-N 2 0 380.521 2.928 20 0 GFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826506963 608524098 /nfs/dbraw/zinc/52/40/98/608524098.db2.gz GFNHZDYFEWERDT-PWRODBHTSA-N 2 0 396.539 2.602 20 0 GFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824617407 609133755 /nfs/dbraw/zinc/13/37/55/609133755.db2.gz HNLDYKJMNIDWEH-AWEZNQCLSA-N 2 0 384.459 2.797 20 0 GFADRP COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1S(=O)(=O)C(F)F ZINC000817961385 660212482 /nfs/dbraw/zinc/21/24/82/660212482.db2.gz XYHWEHUMCITFHU-IACUBPJLSA-N 2 0 376.469 2.860 20 0 GFADRP COCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819007327 660243169 /nfs/dbraw/zinc/24/31/69/660243169.db2.gz WFADGAOSICGVMW-KRWDZBQOSA-N 2 0 389.309 2.712 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000057816874 654810624 /nfs/dbraw/zinc/81/06/24/654810624.db2.gz IAQPHBOKYNSDDR-QGZVFWFLSA-N 2 0 380.627 2.909 20 0 GFADRP Cc1ccsc1-c1nsc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000133645291 654969506 /nfs/dbraw/zinc/96/95/06/654969506.db2.gz HFYNZKHNXQSNOX-UHFFFAOYSA-N 2 0 382.559 2.532 20 0 GFADRP CC[C@H](CSC)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000271819913 655095618 /nfs/dbraw/zinc/09/56/18/655095618.db2.gz SALODDRAXFGWFF-NVXWUHKLSA-N 2 0 387.615 2.709 20 0 GFADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(Br)ncc1F)N1CC[NH+](C)CC1 ZINC000273831756 655160270 /nfs/dbraw/zinc/16/02/70/655160270.db2.gz GDIPPXKCANPLBG-XJKSGUPXSA-N 2 0 387.341 2.906 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000261654247 655441589 /nfs/dbraw/zinc/44/15/89/655441589.db2.gz DRLGRSPYOMBLKC-WMZOPIPTSA-N 2 0 380.330 2.710 20 0 GFADRP Brc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(N2CCOCC2)c1 ZINC000261964911 655443233 /nfs/dbraw/zinc/44/32/33/655443233.db2.gz HROBFINRFFHAOM-UHFFFAOYSA-N 2 0 394.357 2.861 20 0 GFADRP C[NH+](C)CCCNC(=S)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000768786054 656251225 /nfs/dbraw/zinc/25/12/25/656251225.db2.gz QQNALUSJWZAPMX-HNNXBMFYSA-N 2 0 376.492 2.724 20 0 GFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)cnc1Cl ZINC000842697655 661349761 /nfs/dbraw/zinc/34/97/61/661349761.db2.gz CZPUVILVSNUDKN-GFCCVEGCSA-N 2 0 375.742 2.613 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000850500461 661779779 /nfs/dbraw/zinc/77/97/79/661779779.db2.gz GYPJOJRAWBTSTK-STQMWFEESA-N 2 0 375.330 2.906 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856950364 662054420 /nfs/dbraw/zinc/05/44/20/662054420.db2.gz ZGUIYYIBDGZNSZ-LSDHHAIUSA-N 2 0 379.376 2.628 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(Br)cc(C=O)c1 ZINC000859351196 662155598 /nfs/dbraw/zinc/15/55/98/662155598.db2.gz BXZXHZQTOBYDGZ-UHFFFAOYSA-N 2 0 398.345 2.607 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@H]1C[NH+](C)C ZINC000870024800 662671591 /nfs/dbraw/zinc/67/15/91/662671591.db2.gz UIKROOYQMJAHRP-ZIAGYGMSSA-N 2 0 388.339 2.570 20 0 GFADRP Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1Br ZINC000870021329 662671624 /nfs/dbraw/zinc/67/16/24/662671624.db2.gz NXBRBLRWMXPJMZ-HZPDHXFCSA-N 2 0 382.346 2.569 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872033924 662754349 /nfs/dbraw/zinc/75/43/49/662754349.db2.gz KGKXBGJHCVVCOW-SUMDDJOVSA-N 2 0 396.373 2.752 20 0 GFADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000877525318 662878045 /nfs/dbraw/zinc/87/80/45/662878045.db2.gz YXNRCDZTAROIMU-UHFFFAOYSA-N 2 0 381.929 2.681 20 0 GFADRP Cc1cccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1Br ZINC000879230362 662921090 /nfs/dbraw/zinc/92/10/90/662921090.db2.gz MALRIXDSUQQMRB-HUUCEWRRSA-N 2 0 397.361 2.961 20 0 GFADRP C[NH+]1CCN(C2CC[NH+](CCOc3cccc(Br)c3)CC2)CC1 ZINC000879590571 662930228 /nfs/dbraw/zinc/93/02/28/662930228.db2.gz AFCVCISWTPDGDJ-UHFFFAOYSA-N 2 0 382.346 2.540 20 0 GFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000893366606 663408632 /nfs/dbraw/zinc/40/86/32/663408632.db2.gz FAZGWXRIUYWCHA-INIZCTEOSA-N 2 0 386.334 2.854 20 0 GFADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496603 663785755 /nfs/dbraw/zinc/78/57/55/663785755.db2.gz VKILWPMTMAUWFM-IJEWVQPXSA-N 2 0 382.346 2.713 20 0 GFADRP Cc1cccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1Br ZINC000903769364 663806359 /nfs/dbraw/zinc/80/63/59/663806359.db2.gz DVJQACBFNBUHBT-CVEARBPZSA-N 2 0 394.313 2.515 20 0 GFADRP [NH3+]CCN1CCC([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000904365894 663831833 /nfs/dbraw/zinc/83/18/33/663831833.db2.gz BDAZBOQVYPVCTE-UHFFFAOYSA-N 2 0 385.383 2.971 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccccc1I)CC2 ZINC000904388890 663831959 /nfs/dbraw/zinc/83/19/59/663831959.db2.gz DELGGYGXJYHXJO-AWEZNQCLSA-N 2 0 386.277 2.621 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc(Br)cc3c1OCC3)CC2 ZINC000904391797 663832381 /nfs/dbraw/zinc/83/23/81/663832381.db2.gz JUTDMTNVSRJIMM-MRXNPFEDSA-N 2 0 381.314 2.714 20 0 GFADRP CCn1c(C[NH2+]CCCC[NH+](C)C)nc(Br)c1Br ZINC000921616968 664557717 /nfs/dbraw/zinc/55/77/17/664557717.db2.gz LBVSSZSONKZPOL-UHFFFAOYSA-N 2 0 382.144 2.859 20 0 GFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923393823 664629420 /nfs/dbraw/zinc/62/94/20/664629420.db2.gz YQADRDXDAMVZMG-KGYLQXTDSA-N 2 0 377.710 2.654 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCC(=O)Nc1ccccc1Br)CC2 ZINC000923450835 664630769 /nfs/dbraw/zinc/63/07/69/664630769.db2.gz XJMCVGRRSDAPOJ-AWEZNQCLSA-N 2 0 396.329 2.608 20 0 GFADRP C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cccc(C[NH+](C)C)c1 ZINC000925577312 664673307 /nfs/dbraw/zinc/67/33/07/664673307.db2.gz QCZWGVMITVKFOE-OAHLLOKOSA-N 2 0 381.567 2.781 20 0 GFADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)cc1F ZINC000925851923 664676084 /nfs/dbraw/zinc/67/60/84/664676084.db2.gz TZRJDYZZMDJOHY-AAEUAGOBSA-N 2 0 385.277 2.924 20 0 GFADRP CN1CC[C@@H]([NH2+]CCOCC[NH+](C)C)C[C@H]1c1ccc(Br)cc1 ZINC000926251597 664685692 /nfs/dbraw/zinc/68/56/92/664685692.db2.gz BFWPDCPZSVDUSH-MSOLQXFVSA-N 2 0 384.362 2.752 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)c(Br)s2)CC1 ZINC000397590890 677411575 /nfs/dbraw/zinc/41/15/75/677411575.db2.gz MLHUQRFFUMXJRK-UHFFFAOYSA-N 2 0 398.164 2.819 20 0 GFADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2[C@H]3C[NH2+]C[C@@H]3C[C@H]2C(=O)OCC)nc1 ZINC001164618174 719019097 /nfs/dbraw/zinc/01/90/97/719019097.db2.gz QLWRDAHHKRTVEH-YRPNKDGESA-N 2 0 386.540 2.748 20 0 GFADRP Clc1nc2c(c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n1)CC[NH2+]C2 ZINC001164628640 719062559 /nfs/dbraw/zinc/06/25/59/719062559.db2.gz SZZWFHIJQHDZCB-LPHOPBHVSA-N 2 0 383.927 2.877 20 0 GFADRP Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C[NH3+])c1 ZINC001164908359 721718547 /nfs/dbraw/zinc/71/85/47/721718547.db2.gz XGBBIDYJCWRXDH-HXUWFJFHSA-N 2 0 387.478 2.981 20 0 GFADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C)cc2C[NH3+])CC1 ZINC001165021250 721843052 /nfs/dbraw/zinc/84/30/52/721843052.db2.gz JIVIGMFGGRYNAH-UHFFFAOYSA-N 2 0 384.524 2.967 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1Cl ZINC000110102038 551202440 /nfs/dbraw/zinc/20/24/40/551202440.db2.gz NIHYCOCWEMMRMA-HNNXBMFYSA-N 2 0 391.940 2.516 20 0 GFADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000168918649 551634622 /nfs/dbraw/zinc/63/46/22/551634622.db2.gz QVOTVZAIWIWDDL-SFHVURJKSA-N 2 0 383.989 2.857 20 0 GFADRP CC[NH+]1CCN([C@H]2CCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000174546320 552106304 /nfs/dbraw/zinc/10/63/04/552106304.db2.gz DMMGJJUBFCKLBC-HNNXBMFYSA-N 2 0 385.339 2.644 20 0 GFADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000179469394 552194122 /nfs/dbraw/zinc/19/41/22/552194122.db2.gz MWBIKCZAFOSXPB-AWEZNQCLSA-N 2 0 378.318 2.935 20 0 GFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000185875409 552372556 /nfs/dbraw/zinc/37/25/56/552372556.db2.gz VGJOCXJJSDUVIS-OAHLLOKOSA-N 2 0 394.357 2.841 20 0 GFADRP Brc1ccc(-c2nnc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)[nH]2)cc1 ZINC000246491335 553108810 /nfs/dbraw/zinc/10/88/10/553108810.db2.gz RYAZPIJVOGQNLM-GJZGRUSLSA-N 2 0 376.302 2.951 20 0 GFADRP C[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000261745087 553157846 /nfs/dbraw/zinc/15/78/46/553157846.db2.gz MDGLQRZAJFLXDT-HBUWYVDXSA-N 2 0 382.346 2.860 20 0 GFADRP CCC[NH+]1CCC(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261825941 553160488 /nfs/dbraw/zinc/16/04/88/553160488.db2.gz SZTABHBLBQTMMH-SFHVURJKSA-N 2 0 382.346 2.861 20 0 GFADRP O=C(NC[C@@H]1CCC[N@@H+](Cc2sccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000262103684 553166044 /nfs/dbraw/zinc/16/60/44/553166044.db2.gz JCYDFNBEKZGKPM-JSGCOSHPSA-N 2 0 386.359 2.591 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418787395 563225986 /nfs/dbraw/zinc/22/59/86/563225986.db2.gz JQSORZULUWSIMN-NVXWUHKLSA-N 2 0 397.361 2.650 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422938656 563351449 /nfs/dbraw/zinc/35/14/49/563351449.db2.gz DUMQLUSOQGCXHT-XDTLVQLUSA-N 2 0 379.245 2.892 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423116496 563356148 /nfs/dbraw/zinc/35/61/48/563356148.db2.gz QAOFJKVZGOWQRP-DRCTWCGVSA-N 2 0 394.684 2.787 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423151483 563357041 /nfs/dbraw/zinc/35/70/41/563357041.db2.gz DIPPVJFHZKFCGF-RRQGHBQHSA-N 2 0 385.346 2.858 20 0 GFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423466415 563360904 /nfs/dbraw/zinc/36/09/04/563360904.db2.gz ANTURAINSVJMGU-MNOVXSKESA-N 2 0 380.341 2.824 20 0 GFADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ncc(Br)cc1F ZINC000423499908 563361479 /nfs/dbraw/zinc/36/14/79/563361479.db2.gz BQGOTLFXSJUYQW-LRVUVFPRSA-N 2 0 385.325 2.850 20 0 GFADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423521551 563362071 /nfs/dbraw/zinc/36/20/71/563362071.db2.gz GFGAFQHLYFLMKF-CYFGEWFFSA-N 2 0 394.357 2.743 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)c2cc1Br ZINC000425230560 563413343 /nfs/dbraw/zinc/41/33/43/563413343.db2.gz CIWOORVGYCLJHH-OLZOCXBDSA-N 2 0 394.313 2.897 20 0 GFADRP COC(=O)c1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000284284916 563469339 /nfs/dbraw/zinc/46/93/39/563469339.db2.gz HUJWJHGUUZPVMC-UHFFFAOYSA-N 2 0 399.329 2.561 20 0 GFADRP C[C@@H](NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Br)cc1 ZINC000391804615 563525468 /nfs/dbraw/zinc/52/54/68/563525468.db2.gz VJERENNGDPLPMV-BMFZPTHFSA-N 2 0 380.330 2.558 20 0 GFADRP O=C([C@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1)N1CC[NH2+]CC1 ZINC000430607366 563546821 /nfs/dbraw/zinc/54/68/21/563546821.db2.gz YKNOYRQHUNXEKK-AWEZNQCLSA-N 2 0 386.323 2.516 20 0 GFADRP CC(C)SCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000286936319 563581109 /nfs/dbraw/zinc/58/11/09/563581109.db2.gz GPYDUNWRYLVNLF-MRXNPFEDSA-N 2 0 387.615 2.709 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000414673668 563749173 /nfs/dbraw/zinc/74/91/73/563749173.db2.gz JEYBQTYFFMRHQT-RHSMWYFYSA-N 2 0 380.330 2.783 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000414676048 563750446 /nfs/dbraw/zinc/75/04/46/563750446.db2.gz HCZFKPBIFZINBX-KUHUBIRLSA-N 2 0 375.563 2.954 20 0 GFADRP C[N@@H+](Cc1ccc(Br)cc1Cl)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414739948 563751660 /nfs/dbraw/zinc/75/16/60/563751660.db2.gz CLYSKVMGXSVKMT-GFCCVEGCSA-N 2 0 388.737 2.732 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741676 563751864 /nfs/dbraw/zinc/75/18/64/563751864.db2.gz FMEVWRSVOYKDEA-UKRRQHHQSA-N 2 0 386.323 2.644 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000414753376 563752183 /nfs/dbraw/zinc/75/21/83/563752183.db2.gz DMFBZGPDYLUHLW-CHWSQXEVSA-N 2 0 386.359 2.845 20 0 GFADRP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965316 563755433 /nfs/dbraw/zinc/75/54/33/563755433.db2.gz CPIGQRSSVONPBK-CYBMUJFWSA-N 2 0 386.245 2.928 20 0 GFADRP Cc1ccc(Br)cc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000450548341 564238859 /nfs/dbraw/zinc/23/88/59/564238859.db2.gz RPCWSEHBLDCKLF-UHFFFAOYSA-N 2 0 382.346 2.647 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000507955534 564249072 /nfs/dbraw/zinc/24/90/72/564249072.db2.gz ZDWHDQZMWZLRPX-UHFFFAOYSA-N 2 0 379.245 2.597 20 0 GFADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(C)s1 ZINC000566090930 564308340 /nfs/dbraw/zinc/30/83/40/564308340.db2.gz QDPGNGXVCBWUJU-YESZJQIVSA-N 2 0 385.599 2.544 20 0 GFADRP O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479689213 564448123 /nfs/dbraw/zinc/44/81/23/564448123.db2.gz HTYXLCHNOMXTSZ-UHFFFAOYSA-N 2 0 395.345 2.884 20 0 GFADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCOC1C[NH2+]C1 ZINC000517133157 564525578 /nfs/dbraw/zinc/52/55/78/564525578.db2.gz BNPOPDNBGMFSJA-UHFFFAOYSA-N 2 0 388.339 2.652 20 0 GFADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000575248352 564695772 /nfs/dbraw/zinc/69/57/72/564695772.db2.gz FCNKJPFRHHBYQH-OALUTQOASA-N 2 0 379.957 2.689 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1c(Cl)cccc1Cl ZINC000525416467 564700769 /nfs/dbraw/zinc/70/07/69/564700769.db2.gz KEFRJYHDGYOFGV-UHFFFAOYSA-N 2 0 375.344 2.671 20 0 GFADRP Brc1cccc2c1C[C@H]([NH2+]Cc1nnc(C3CC[NH2+]CC3)[nH]1)CC2 ZINC000580304429 564755600 /nfs/dbraw/zinc/75/56/00/564755600.db2.gz FKPZCSCGSYAUIG-CQSZACIVSA-N 2 0 390.329 2.681 20 0 GFADRP CC1CC[NH+](CCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000580438951 564758336 /nfs/dbraw/zinc/75/83/36/564758336.db2.gz KDYGNJLJCCJMOK-SFHVURJKSA-N 2 0 382.346 2.861 20 0 GFADRP C[C@@H](C[NH2+][C@@H]1CCc2cccc(Br)c2C1)CN1CC[NH+](C)CC1 ZINC000555537739 564796648 /nfs/dbraw/zinc/79/66/48/564796648.db2.gz VRTZKZXRZLNHQI-DOTOQJQBSA-N 2 0 380.374 2.780 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000529386367 564833226 /nfs/dbraw/zinc/83/32/26/564833226.db2.gz MXXRSVRUSIXMCP-XYPHTWIQSA-N 2 0 385.339 2.990 20 0 GFADRP C[NH+](C)[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000530656311 564889943 /nfs/dbraw/zinc/88/99/43/564889943.db2.gz HHPDMOUVAJHDML-FUHWJXTLSA-N 2 0 384.977 2.679 20 0 GFADRP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Br ZINC000531959294 564924713 /nfs/dbraw/zinc/92/47/13/564924713.db2.gz JNOOPSDXIIMSOR-DZGCQCFKSA-N 2 0 398.345 2.696 20 0 GFADRP Clc1cccc(-n2cc(C[NH2+]CCCC[NH+]3CCOCC3)nn2)c1Cl ZINC000533165466 564956286 /nfs/dbraw/zinc/95/62/86/564956286.db2.gz ZASSKTYGYUYENU-UHFFFAOYSA-N 2 0 384.311 2.776 20 0 GFADRP O=C([C@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1)N1CC[NH2+]CC1 ZINC000469995486 565034975 /nfs/dbraw/zinc/03/49/75/565034975.db2.gz AZVUVLKYEDHQQV-AWEZNQCLSA-N 2 0 376.551 2.515 20 0 GFADRP CN1CCN(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)[C@H](C[NH3+])C1 ZINC000659626289 565220874 /nfs/dbraw/zinc/22/08/74/565220874.db2.gz AEKSVCHYTFABKP-WBVHZDCISA-N 2 0 395.345 2.501 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000639112294 565226403 /nfs/dbraw/zinc/22/64/03/565226403.db2.gz AZMWEEATHNPOQA-KRWDZBQOSA-N 2 0 396.373 2.853 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000662589019 565377852 /nfs/dbraw/zinc/37/78/52/565377852.db2.gz XXYOEFQTZXPKIR-DNVCBOLYSA-N 2 0 394.357 2.861 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(C)c(Br)c2)CC1 ZINC000663503156 565424519 /nfs/dbraw/zinc/42/45/19/565424519.db2.gz FMMGPDDNBLYEEX-UHFFFAOYSA-N 2 0 382.346 2.838 20 0 GFADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1sccc1Br ZINC000643530266 565435086 /nfs/dbraw/zinc/43/50/86/565435086.db2.gz SHGAPTLFAKNSOG-ONGXEEELSA-N 2 0 386.281 2.997 20 0 GFADRP C[N@@H+]1CC[C@]2(CCN([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446880 565631572 /nfs/dbraw/zinc/63/15/72/565631572.db2.gz WHUOKSOEGDEOGB-WMZOPIPTSA-N 2 0 378.314 2.730 20 0 GFADRP O=C(NCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000647788855 565675613 /nfs/dbraw/zinc/67/56/13/565675613.db2.gz SUYFMKPGULGHSX-HLLBOEOZSA-N 2 0 380.330 2.547 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647799186 565677127 /nfs/dbraw/zinc/67/71/27/565677127.db2.gz ACRHICHMQQDJQF-GARXJVFOSA-N 2 0 397.357 2.586 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000670133251 565716311 /nfs/dbraw/zinc/71/63/11/565716311.db2.gz CHOUTHXTQVJRID-WMZOPIPTSA-N 2 0 384.977 2.679 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc4c(cc3Br)OCO4)C2)C1 ZINC000650705961 565832480 /nfs/dbraw/zinc/83/24/80/565832480.db2.gz BCUZVLDMNJRXBN-BJJXKVORSA-N 2 0 397.313 2.896 20 0 GFADRP COc1c(Br)cc(Br)cc1C[NH2+]CCOCCC[NH3+] ZINC000629398797 565850423 /nfs/dbraw/zinc/85/04/23/565850423.db2.gz YXBVJIXHTNQMEW-UHFFFAOYSA-N 2 0 396.123 2.675 20 0 GFADRP COc1cc(Br)c(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1OC ZINC000655724415 566084722 /nfs/dbraw/zinc/08/47/22/566084722.db2.gz BRMVWWXSRMNGQJ-OAHLLOKOSA-N 2 0 399.329 2.809 20 0 GFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000635003371 566188411 /nfs/dbraw/zinc/18/84/11/566188411.db2.gz CPLVXRWNDSGJQP-DCAQKATOSA-N 2 0 380.341 2.809 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH+](C)CC1 ZINC000683695749 566210374 /nfs/dbraw/zinc/21/03/74/566210374.db2.gz NBVXTLAMUCNKQW-CXAGYDPISA-N 2 0 380.330 2.874 20 0 GFADRP CC[N@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736541749 598509498 /nfs/dbraw/zinc/50/94/98/598509498.db2.gz JLTZCVAGFVRWNH-UHFFFAOYSA-N 2 0 380.496 2.829 20 0 GFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824618924 609133530 /nfs/dbraw/zinc/13/35/30/609133530.db2.gz SDDINKUDIVQNRH-AWEZNQCLSA-N 2 0 384.459 2.797 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000819083902 660245835 /nfs/dbraw/zinc/24/58/35/660245835.db2.gz HRXCGRWUSJQDAT-KBXCAEBGSA-N 2 0 383.330 2.573 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000819172940 660248889 /nfs/dbraw/zinc/24/88/89/660248889.db2.gz HRRMIBDAWIUARW-GUDVDZBRSA-N 2 0 397.357 2.840 20 0 GFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1nc(Br)cs1 ZINC000834566181 660825077 /nfs/dbraw/zinc/82/50/77/660825077.db2.gz FWEBAGBKXVCFCS-LBPRGKRZSA-N 2 0 375.380 2.830 20 0 GFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000037229167 654614106 /nfs/dbraw/zinc/61/41/06/654614106.db2.gz IPESBQUGHGGHKG-AWEZNQCLSA-N 2 0 387.309 2.579 20 0 GFADRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000104167556 655079267 /nfs/dbraw/zinc/07/92/67/655079267.db2.gz ROQHAQGGLVNVAM-KGLIPLIRSA-N 2 0 386.371 2.985 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839182959 661075301 /nfs/dbraw/zinc/07/53/01/661075301.db2.gz RLCBESOJLOOJSO-UHFFFAOYSA-N 2 0 379.452 2.651 20 0 GFADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1cccc(Br)c1 ZINC000575796508 655437222 /nfs/dbraw/zinc/43/72/22/655437222.db2.gz CPLKJDNORMMSFT-KRWDZBQOSA-N 2 0 383.330 2.653 20 0 GFADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000577564721 655461998 /nfs/dbraw/zinc/46/19/98/655461998.db2.gz UFPCVKQQCPDZSM-HNNXBMFYSA-N 2 0 385.599 2.926 20 0 GFADRP CN(C(=S)NCC1CC[NH+](C)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000840831344 661193828 /nfs/dbraw/zinc/19/38/28/661193828.db2.gz NBXCLCIJNGOCFZ-UHFFFAOYSA-N 2 0 380.524 2.551 20 0 GFADRP C[NH+]1CCC(CNC(=S)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000760485558 655982274 /nfs/dbraw/zinc/98/22/74/655982274.db2.gz INLVDNPGDLBYNQ-SJLPKXTDSA-N 2 0 380.627 2.937 20 0 GFADRP C[NH+]1CCC(CNC(=S)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000760485556 655982304 /nfs/dbraw/zinc/98/23/04/655982304.db2.gz INLVDNPGDLBYNQ-AEFFLSMTSA-N 2 0 380.627 2.937 20 0 GFADRP C[NH+]1CCN(CCC[NH2+]Cc2nc3ccc(Br)cc3s2)CC1 ZINC000774974901 656578268 /nfs/dbraw/zinc/57/82/68/656578268.db2.gz HKLXMOYNBAWKRI-UHFFFAOYSA-N 2 0 383.359 2.786 20 0 GFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000775394839 656636543 /nfs/dbraw/zinc/63/65/43/656636543.db2.gz HBJMBFAIJMYNFT-JFIYKMOQSA-N 2 0 385.643 2.582 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(SC(F)(F)F)o2)C[C@H]1C[NH+](C)C ZINC000870018288 662671385 /nfs/dbraw/zinc/67/13/85/662671385.db2.gz ZVYJCBQGDWQZPS-VXGBXAGGSA-N 2 0 379.448 2.703 20 0 GFADRP C[NH+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000884184409 663066784 /nfs/dbraw/zinc/06/67/84/663066784.db2.gz PGOCYCWRKCRWQG-QGZVFWFLSA-N 2 0 376.298 2.827 20 0 GFADRP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000894768908 663480639 /nfs/dbraw/zinc/48/06/39/663480639.db2.gz OTRKBRZGJOUQEJ-OAHLLOKOSA-N 2 0 385.346 2.540 20 0 GFADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)COc1ccccc1Br ZINC000903125683 663775136 /nfs/dbraw/zinc/77/51/36/663775136.db2.gz NPOSVCVPVGKHSV-YQAQFAQXSA-N 2 0 395.341 2.936 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCc2ccc(Br)cc2)cnn1C ZINC000903890312 663810096 /nfs/dbraw/zinc/81/00/96/663810096.db2.gz BXXVOAWVHOHNOC-MRXNPFEDSA-N 2 0 379.346 2.783 20 0 GFADRP O[C@H](COc1cc(F)cc(Br)c1)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923280300 664627286 /nfs/dbraw/zinc/62/72/86/664627286.db2.gz GROFXVHPFSEOHQ-INIZCTEOSA-N 2 0 387.293 2.544 20 0 GFADRP O[C@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000923410348 664630029 /nfs/dbraw/zinc/63/00/29/664630029.db2.gz NFNNLQCMIZIDKP-QZTJIDSGSA-N 2 0 383.330 2.573 20 0 GFADRP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923456256 664630881 /nfs/dbraw/zinc/63/08/81/664630881.db2.gz XBIJXFXZJDMMTR-CJNGLKHVSA-N 2 0 396.329 2.606 20 0 GFADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923479464 664631110 /nfs/dbraw/zinc/63/11/10/664631110.db2.gz PKDJMUZCXVZFBI-WCQYABFASA-N 2 0 377.710 2.513 20 0 GFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924672139 664659377 /nfs/dbraw/zinc/65/93/77/664659377.db2.gz SJJCUUCJOJPYEJ-WMLDXEAASA-N 2 0 381.362 2.837 20 0 GFADRP [NH3+]CCC[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000925710629 664674115 /nfs/dbraw/zinc/67/41/15/664674115.db2.gz XOGHCTKLPULSMQ-INIZCTEOSA-N 2 0 391.313 2.644 20 0 GFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000925803564 664675062 /nfs/dbraw/zinc/67/50/62/664675062.db2.gz RCBNVJLWDJLCRS-OUAUKWLOSA-N 2 0 380.341 2.537 20 0 GFADRP O=C1O[C@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC12CC[NH2+]CC2 ZINC000925848932 664675756 /nfs/dbraw/zinc/67/57/56/664675756.db2.gz LNTFPZRJNSWNIL-GJZGRUSLSA-N 2 0 393.325 2.581 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC12CC[NH2+]CC2 ZINC000925848934 664675891 /nfs/dbraw/zinc/67/58/91/664675891.db2.gz LNTFPZRJNSWNIL-LSDHHAIUSA-N 2 0 393.325 2.581 20 0 GFADRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)c(Br)c1 ZINC000925850823 664675927 /nfs/dbraw/zinc/67/59/27/664675927.db2.gz BRMVYWLFELXJIJ-YPMHNXCESA-N 2 0 385.277 2.924 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@H]2CCc3sc(Br)cc32)CC12CC[NH2+]CC2 ZINC000925852027 664676072 /nfs/dbraw/zinc/67/60/72/664676072.db2.gz ZAIGHVPEDQONRA-PWSUYJOCSA-N 2 0 385.327 2.773 20 0 GFADRP O=C1O[C@H](C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC12CC[NH2+]CC2 ZINC000925856848 664676375 /nfs/dbraw/zinc/67/63/75/664676375.db2.gz XQVAUURJXRNDJM-XHDPSFHLSA-N 2 0 397.288 2.850 20 0 GFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]2C1 ZINC000931442235 664795072 /nfs/dbraw/zinc/79/50/72/664795072.db2.gz ZGEZNOXZWZJCTA-KEYYUXOJSA-N 2 0 378.314 2.586 20 0 GFADRP Fc1cccnc1N(c1ncccc1C[NH+]1CCCC1)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164691050 719761408 /nfs/dbraw/zinc/76/14/08/719761408.db2.gz KOCUJSTWWIRJMF-XMSQKQJNSA-N 2 0 397.498 2.871 20 0 GFADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-n4ccnc4)cc[nH+]3)CC[C@@H]21 ZINC001164841474 720627670 /nfs/dbraw/zinc/62/76/70/720627670.db2.gz SFSBNPDVJMDCJX-GIVPXCGWSA-N 2 0 391.523 2.842 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000152682166 551437962 /nfs/dbraw/zinc/43/79/62/551437962.db2.gz DPHFXADZFAPWNS-JKIFEVAISA-N 2 0 382.346 2.887 20 0 GFADRP COc1c(Br)cccc1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000187207266 552409243 /nfs/dbraw/zinc/40/92/43/552409243.db2.gz KKIPRRFNHVABRM-UHFFFAOYSA-N 2 0 384.362 2.821 20 0 GFADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000261837934 553160476 /nfs/dbraw/zinc/16/04/76/553160476.db2.gz YHKSLTYILCCMJS-CQSZACIVSA-N 2 0 382.346 2.948 20 0 GFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@H](O)c2ccccc2Br)CC1 ZINC000295248425 563238618 /nfs/dbraw/zinc/23/86/18/563238618.db2.gz FMBKTMYELCKPRS-IBGZPJMESA-N 2 0 398.389 2.830 20 0 GFADRP O=C(c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420311466 563261634 /nfs/dbraw/zinc/26/16/34/563261634.db2.gz VZHSNLUPDYRJJB-OAHLLOKOSA-N 2 0 380.330 2.597 20 0 GFADRP NC(=O)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(Br)c1 ZINC000298171768 563346842 /nfs/dbraw/zinc/34/68/42/563346842.db2.gz UJCDCDLRQYCFOJ-KRWDZBQOSA-N 2 0 389.297 2.629 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000422953206 563351546 /nfs/dbraw/zinc/35/15/46/563351546.db2.gz DZRBHFLYXNILCS-GFCCVEGCSA-N 2 0 387.293 2.999 20 0 GFADRP [NH3+]CC1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000422987894 563352304 /nfs/dbraw/zinc/35/23/04/563352304.db2.gz HRCZJFMIXQSFIQ-UHFFFAOYSA-N 2 0 382.346 2.893 20 0 GFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423092708 563354403 /nfs/dbraw/zinc/35/44/03/563354403.db2.gz DBYLFRZCOKOEDQ-XJKSGUPXSA-N 2 0 390.309 2.956 20 0 GFADRP CCn1ccnc1[C@@H]([NH2+]CCCC[NH3+])c1ccc(I)cc1 ZINC000423342533 563360330 /nfs/dbraw/zinc/36/03/30/563360330.db2.gz YXMFOCDDKXOAAZ-HNNXBMFYSA-N 2 0 398.292 2.926 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21)N1CC[NH2+]CC1 ZINC000423395464 563360379 /nfs/dbraw/zinc/36/03/79/563360379.db2.gz SPYKYHJZRDHHBD-GDBMZVCRSA-N 2 0 377.838 2.979 20 0 GFADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1 ZINC000423377876 563360466 /nfs/dbraw/zinc/36/04/66/563360466.db2.gz FQBSOLKXTZALPA-BXUZGUMPSA-N 2 0 380.252 2.936 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[N@H+](CCO)C[C@@H]3C)c2cc1Br ZINC000425269374 563416056 /nfs/dbraw/zinc/41/60/56/563416056.db2.gz RBMOOXCCMGHZBR-LBPRGKRZSA-N 2 0 380.286 2.509 20 0 GFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000363787097 563732962 /nfs/dbraw/zinc/73/29/62/563732962.db2.gz VYBMRDIQNSWENN-MRXNPFEDSA-N 2 0 385.599 2.611 20 0 GFADRP Cc1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1Br ZINC000414481406 563744280 /nfs/dbraw/zinc/74/42/80/563744280.db2.gz KKPRCVFAQDUSQC-UHFFFAOYSA-N 2 0 396.373 2.644 20 0 GFADRP CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670028 563749417 /nfs/dbraw/zinc/74/94/17/563749417.db2.gz CNDITHTURLUVMB-MRXNPFEDSA-N 2 0 382.346 2.857 20 0 GFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CC[NH2+]1 ZINC000414743353 563751871 /nfs/dbraw/zinc/75/18/71/563751871.db2.gz IQSJTOUBJJXBKJ-KFWWJZLASA-N 2 0 395.345 2.883 20 0 GFADRP C[C@@H]1c2cccc(Br)c2CC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414741790 563751874 /nfs/dbraw/zinc/75/18/74/563751874.db2.gz FSFFAFCOJNMEHJ-KGLIPLIRSA-N 2 0 380.330 2.566 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000414757174 563751935 /nfs/dbraw/zinc/75/19/35/563751935.db2.gz SASHIJBEORLQSN-GUYCJALGSA-N 2 0 398.320 2.922 20 0 GFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)CC[NH2+]1 ZINC000414759594 563752495 /nfs/dbraw/zinc/75/24/95/563752495.db2.gz FHUNRUYHZVZTGA-ZIAGYGMSSA-N 2 0 378.318 2.850 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(c3ccccc3Br)CC2)C1 ZINC000414760059 563752600 /nfs/dbraw/zinc/75/26/00/563752600.db2.gz XPIDNYKSKKHZSV-HNNXBMFYSA-N 2 0 394.357 2.826 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]([NH3+])C(C)C)CC1 ZINC000414797293 563752644 /nfs/dbraw/zinc/75/26/44/563752644.db2.gz PBXCJKZRDKERSJ-KRWDZBQOSA-N 2 0 382.346 2.935 20 0 GFADRP CS[C@H]1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000415948939 563801140 /nfs/dbraw/zinc/80/11/40/563801140.db2.gz FDEINCNFJZFVTM-KBPBESRZSA-N 2 0 376.448 2.673 20 0 GFADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H]1c1cccs1 ZINC000416017226 563802610 /nfs/dbraw/zinc/80/26/10/563802610.db2.gz XXDVFPUVLFZAHW-MRVWCRGKSA-N 2 0 378.464 2.710 20 0 GFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367886433 563858469 /nfs/dbraw/zinc/85/84/69/563858469.db2.gz OPEPUTLTXSOYKS-OIISXLGYSA-N 2 0 385.350 2.515 20 0 GFADRP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000563305959 564185200 /nfs/dbraw/zinc/18/52/00/564185200.db2.gz HZPJHIHATQCBFQ-BFQNTYOBSA-N 2 0 378.460 2.927 20 0 GFADRP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000563305967 564185346 /nfs/dbraw/zinc/18/53/46/564185346.db2.gz HZPJHIHATQCBFQ-XHBSWPGZSA-N 2 0 378.460 2.927 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000449597164 564191041 /nfs/dbraw/zinc/19/10/41/564191041.db2.gz DFMAITUSRKIQTN-HFTRVMKXSA-N 2 0 399.373 2.929 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000449604688 564192113 /nfs/dbraw/zinc/19/21/13/564192113.db2.gz XYCMIYLPPJTABC-GVDBMIGSSA-N 2 0 397.357 2.825 20 0 GFADRP CC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)CC1 ZINC000449677398 564194188 /nfs/dbraw/zinc/19/41/88/564194188.db2.gz AWBXJGLXXOYYRZ-AWEZNQCLSA-N 2 0 385.346 2.683 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3c(cc2Br)OCO3)CC1 ZINC000449751944 564199650 /nfs/dbraw/zinc/19/96/50/564199650.db2.gz LXOIKRMHXPRUHJ-UHFFFAOYSA-N 2 0 398.345 2.684 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1ccccc1Br ZINC000539298325 564215724 /nfs/dbraw/zinc/21/57/24/564215724.db2.gz NCLQCWAATNJKOZ-MRXNPFEDSA-N 2 0 383.330 2.653 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000508082859 564252736 /nfs/dbraw/zinc/25/27/36/564252736.db2.gz UQCOAPMGPJBOKT-INIZCTEOSA-N 2 0 387.977 2.685 20 0 GFADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000564847394 564252895 /nfs/dbraw/zinc/25/28/95/564252895.db2.gz CHWIPLZKOVUBDP-INIZCTEOSA-N 2 0 389.309 2.649 20 0 GFADRP C[NH2+]CCC1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000566244407 564319194 /nfs/dbraw/zinc/31/91/94/564319194.db2.gz NXMIZISRDGLBGC-QGZVFWFLSA-N 2 0 380.330 2.876 20 0 GFADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000567605304 564379409 /nfs/dbraw/zinc/37/94/09/564379409.db2.gz MXVKLBJWZOOGEN-NVXWUHKLSA-N 2 0 385.346 2.756 20 0 GFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000567639969 564381352 /nfs/dbraw/zinc/38/13/52/564381352.db2.gz QVPLKVISXTZQOZ-IKGGRYGDSA-N 2 0 385.599 2.659 20 0 GFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000514680572 564453499 /nfs/dbraw/zinc/45/34/99/564453499.db2.gz AZQVPAKERKFJAX-KRWDZBQOSA-N 2 0 380.374 2.922 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1Br ZINC000453380725 564456269 /nfs/dbraw/zinc/45/62/69/564456269.db2.gz RDWGMGHHZMZKJM-AHEZYBDSSA-N 2 0 399.373 2.927 20 0 GFADRP COc1sc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1Br ZINC000515093232 564469356 /nfs/dbraw/zinc/46/93/56/564469356.db2.gz HHMSGJCVDGAEJO-UHFFFAOYSA-N 2 0 378.380 2.835 20 0 GFADRP Cc1ccc(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Br)c1 ZINC000547859126 564513526 /nfs/dbraw/zinc/51/35/26/564513526.db2.gz ZXNBVGJEIMTRKR-UHFFFAOYSA-N 2 0 384.362 2.642 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000552088666 564676533 /nfs/dbraw/zinc/67/65/33/564676533.db2.gz OYMTUZTZXVZBNZ-DYEKYZERSA-N 2 0 394.368 2.590 20 0 GFADRP CCc1cc(Br)ccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000525890319 564712391 /nfs/dbraw/zinc/71/23/91/564712391.db2.gz SIMOSMBASWZTAS-UHFFFAOYSA-N 2 0 385.350 2.969 20 0 GFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581484241 564804448 /nfs/dbraw/zinc/80/44/48/564804448.db2.gz YSNNJXJJVIMYJA-CJNGLKHVSA-N 2 0 389.309 2.649 20 0 GFADRP Brc1ccccc1-c1cnc(CN2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000581946841 564823937 /nfs/dbraw/zinc/82/39/37/564823937.db2.gz FBGDEGJTLGPBMW-AWEZNQCLSA-N 2 0 391.313 2.584 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(Br)s1 ZINC000583111058 564876715 /nfs/dbraw/zinc/87/67/15/564876715.db2.gz GABABVPXWFLGLH-ZDUSSCGKSA-N 2 0 375.380 2.754 20 0 GFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000583644293 564900411 /nfs/dbraw/zinc/90/04/11/564900411.db2.gz XPUZZJMOKWOJJQ-NVXWUHKLSA-N 2 0 380.374 2.922 20 0 GFADRP O=C(CC[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1)N1CC[NH2+]CC1 ZINC000584232790 564926876 /nfs/dbraw/zinc/92/68/76/564926876.db2.gz YAXZIALUUDCBTR-MRXNPFEDSA-N 2 0 384.293 2.547 20 0 GFADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000561338483 564991561 /nfs/dbraw/zinc/99/15/61/564991561.db2.gz LWEMPNJFYQYPON-QGZVFWFLSA-N 2 0 381.611 2.856 20 0 GFADRP C[C@@H](Cc1ccc(Br)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000536561555 565040805 /nfs/dbraw/zinc/04/08/05/565040805.db2.gz CYEJAXKNESCQJL-HNNXBMFYSA-N 2 0 384.362 2.580 20 0 GFADRP Cc1cc(Br)cn2c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cnc12 ZINC000657574050 565110443 /nfs/dbraw/zinc/11/04/43/565110443.db2.gz XKQAKRXTSAQJAE-HNNXBMFYSA-N 2 0 396.377 2.767 20 0 GFADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000657870734 565135294 /nfs/dbraw/zinc/13/52/94/565135294.db2.gz FFXCDGRJLHEWMC-WMZOPIPTSA-N 2 0 396.373 2.947 20 0 GFADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354678 565160352 /nfs/dbraw/zinc/16/03/52/565160352.db2.gz FVVQNIYQPCVSHX-CQSZACIVSA-N 2 0 382.346 2.711 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000663503791 565424373 /nfs/dbraw/zinc/42/43/73/565424373.db2.gz RECCJYBSOKDFNN-UHFFFAOYSA-N 2 0 386.309 2.668 20 0 GFADRP Brc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000643496346 565433973 /nfs/dbraw/zinc/43/39/73/565433973.db2.gz BAMAJSASGDFOMC-ZWKOTPCHSA-N 2 0 382.346 2.554 20 0 GFADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)COc1cc(F)cc(Br)c1 ZINC000644524071 565480429 /nfs/dbraw/zinc/48/04/29/565480429.db2.gz PGFIUWILHGKPHV-ARFHVFGLSA-N 2 0 387.293 2.544 20 0 GFADRP C[NH+]1CCC(C[NH2+]Cc2csc(C(F)(F)F)c2)(N2CCOCC2)CC1 ZINC000623548997 565517977 /nfs/dbraw/zinc/51/79/77/565517977.db2.gz LRENBLGRZRRJPX-UHFFFAOYSA-N 2 0 377.476 2.653 20 0 GFADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000623888614 565534365 /nfs/dbraw/zinc/53/43/65/565534365.db2.gz NHLATHLZDJAWRU-CABCVRRESA-N 2 0 382.346 2.996 20 0 GFADRP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2=O)ccc1Br ZINC000647795345 565676905 /nfs/dbraw/zinc/67/69/05/565676905.db2.gz NZKBVMJBFGXMBC-AFIMGQEJSA-N 2 0 392.341 2.841 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1cccs1 ZINC000626920613 565715431 /nfs/dbraw/zinc/71/54/31/565715431.db2.gz GFLKLSPXHDVYAU-YNEHKIRRSA-N 2 0 378.464 2.520 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccsc1 ZINC000626934170 565716232 /nfs/dbraw/zinc/71/62/32/565716232.db2.gz CFFIMRQZRGKOCY-BFHYXJOUSA-N 2 0 378.464 2.520 20 0 GFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(I)s2)CC1 ZINC000602571302 565854876 /nfs/dbraw/zinc/85/48/76/565854876.db2.gz ZNVFXMLCLAKCOK-UHFFFAOYSA-N 2 0 394.322 2.678 20 0 GFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000656153164 566106904 /nfs/dbraw/zinc/10/69/04/566106904.db2.gz GXGIBPOEGJFION-KWCYVHTRSA-N 2 0 391.737 2.772 20 0 GFADRP CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000684409091 566235644 /nfs/dbraw/zinc/23/56/44/566235644.db2.gz KHEKXWJQVNUWKK-UHFFFAOYSA-N 2 0 382.551 2.772 20 0 GFADRP c1sc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1-c1nn[nH]n1 ZINC000826521735 608135897 /nfs/dbraw/zinc/13/58/97/608135897.db2.gz XATKJRQNQINBET-SNRMKQJTSA-N 2 0 380.521 2.928 20 0 GFADRP c1cc(-c2nn[nH]n2)sc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000826521747 608135925 /nfs/dbraw/zinc/13/59/25/608135925.db2.gz XOWZYISUVOZTKL-CGTJXYLNSA-N 2 0 380.521 2.928 20 0 GFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824983786 609331276 /nfs/dbraw/zinc/33/12/76/609331276.db2.gz CSOYRIGGIPIQSB-RBSFLKMASA-N 2 0 376.480 2.546 20 0 GFADRP C[C@@H](C[NH2+][C@@H](c1nc(Br)cs1)C1CC1)CN1CC[NH+](C)CC1 ZINC000817577117 660201219 /nfs/dbraw/zinc/20/12/19/660201219.db2.gz DOAGDHWYNBDGBD-SWLSCSKDSA-N 2 0 387.391 2.830 20 0 GFADRP O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000576160470 655444773 /nfs/dbraw/zinc/44/47/73/655444773.db2.gz JCFXOPOTGVMPGL-UHFFFAOYSA-N 2 0 385.339 2.549 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000768794086 656251562 /nfs/dbraw/zinc/25/15/62/656251562.db2.gz IHDUOHCDIPXOFM-XNTDXEJSSA-N 2 0 387.977 2.846 20 0 GFADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000780849841 657032812 /nfs/dbraw/zinc/03/28/12/657032812.db2.gz SJRQXNZQGKUQAK-NTEUORMPSA-N 2 0 385.961 2.598 20 0 GFADRP Cc1cc([C@@H]([NH3+])CC(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc(Cl)n1 ZINC000841857733 661316922 /nfs/dbraw/zinc/31/69/22/661316922.db2.gz WNBYXPYPPKAHHL-ZDUSSCGKSA-N 2 0 379.917 2.996 20 0 GFADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000865450655 662422216 /nfs/dbraw/zinc/42/22/16/662422216.db2.gz PLMKRYHZBKZAPG-UHFFFAOYSA-N 2 0 375.742 2.615 20 0 GFADRP Cc1ccc(Br)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870020434 662671473 /nfs/dbraw/zinc/67/14/73/662671473.db2.gz PXMFEZILFMDGRA-HUUCEWRRSA-N 2 0 382.346 2.569 20 0 GFADRP C[NH+](C)C[C@@H]1CN(Cn2nc(-c3cccs3)oc2=S)C[C@H]1C[NH+](C)C ZINC000872637167 662782008 /nfs/dbraw/zinc/78/20/08/662782008.db2.gz AXAOQLSAZYVNMS-ZIAGYGMSSA-N 2 0 381.571 2.563 20 0 GFADRP C[C@H](C[NH2+]Cc1c(Br)c2ccccc2n1C)N1CC[NH+](C)CC1 ZINC000873044692 662797431 /nfs/dbraw/zinc/79/74/31/662797431.db2.gz VLKGWGHMNBUZRF-CQSZACIVSA-N 2 0 379.346 2.666 20 0 GFADRP COc1cc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)ccc1S(=O)(=O)C(F)F ZINC000873273186 662804804 /nfs/dbraw/zinc/80/48/04/662804804.db2.gz YZHVUCOSXJQUBL-NWDGAFQWSA-N 2 0 376.469 2.730 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2Cl)C[C@H]1C[NH+](C)C ZINC000874984081 662840270 /nfs/dbraw/zinc/84/02/70/662840270.db2.gz AATPJASNJCRQDQ-HUUCEWRRSA-N 2 0 387.355 2.874 20 0 GFADRP C[NH+](C)C[C@@H]1CN(Cc2ccc(Br)c(F)c2F)C[C@H]1C[NH+](C)C ZINC000877670204 662881365 /nfs/dbraw/zinc/88/13/65/662881365.db2.gz IVFYIQSNTBHDDW-ZIAGYGMSSA-N 2 0 390.316 2.899 20 0 GFADRP C[NH+](C)C[C@@H]1CN(Cc2nc3cc(Br)ccc3o2)C[C@H]1C[NH+](C)C ZINC000877670713 662881373 /nfs/dbraw/zinc/88/13/73/662881373.db2.gz OVQYLDZNQSERAP-ZIAGYGMSSA-N 2 0 395.345 2.762 20 0 GFADRP CC(C)C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000877767906 662883206 /nfs/dbraw/zinc/88/32/06/662883206.db2.gz YNFMVHXDUBARKG-UHFFFAOYSA-N 2 0 387.977 2.787 20 0 GFADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(Br)cc1 ZINC000877993566 662887772 /nfs/dbraw/zinc/88/77/72/662887772.db2.gz QTTUVBFXKPPQMM-UHFFFAOYSA-N 2 0 382.346 2.870 20 0 GFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)c1ccc(Br)cc1 ZINC000878287403 662893113 /nfs/dbraw/zinc/89/31/13/662893113.db2.gz AYPGDCVHJSLMPN-ZJPYXAASSA-N 2 0 383.330 2.666 20 0 GFADRP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000884422562 663070559 /nfs/dbraw/zinc/07/05/59/663070559.db2.gz ZUVCCCMQUOBCKW-YOEHRIQHSA-N 2 0 380.330 2.687 20 0 GFADRP [NH3+][C@@H](CCNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)Cc1ccccc1 ZINC000884456970 663071016 /nfs/dbraw/zinc/07/10/16/663071016.db2.gz RYOHWRYOPNDOEP-IRXDYDNUSA-N 2 0 376.298 2.525 20 0 GFADRP O=C(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(Br)c1 ZINC000903120544 663774602 /nfs/dbraw/zinc/77/46/02/663774602.db2.gz PIAQCTAIQJMHRD-ZNXRZULTSA-N 2 0 392.341 2.926 20 0 GFADRP COc1cc(Br)c(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c(OC)c1 ZINC000904392332 663832326 /nfs/dbraw/zinc/83/23/26/663832326.db2.gz PTOHPEVOGOANFJ-AWEZNQCLSA-N 2 0 399.329 2.796 20 0 GFADRP Cc1cc(Br)cn2c(C[NH+]3CCC4(CO[C@H](C[NH3+])C4)CC3)cnc12 ZINC000904391178 663832360 /nfs/dbraw/zinc/83/23/60/663832360.db2.gz FENVALOLISBHQR-INIZCTEOSA-N 2 0 393.329 2.735 20 0 GFADRP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000905173813 663856682 /nfs/dbraw/zinc/85/66/82/663856682.db2.gz HRRMIBDAWIUARW-QRVBRYPASA-N 2 0 397.357 2.840 20 0 GFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Cl)cc3Br)C[C@@H]12 ZINC000923331681 664628426 /nfs/dbraw/zinc/62/84/26/664628426.db2.gz HUZWSMITTBBVTI-BPGGGUHBSA-N 2 0 389.721 2.511 20 0 GFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923419760 664630240 /nfs/dbraw/zinc/63/02/40/664630240.db2.gz CDZSQYGBHGCCGB-LERXQTSPSA-N 2 0 377.710 2.558 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924662576 664659357 /nfs/dbraw/zinc/65/93/57/664659357.db2.gz RMTZTOHPIMILNB-QGZVFWFLSA-N 2 0 381.362 2.839 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC12CC[NH2+]CC2 ZINC000925856844 664676172 /nfs/dbraw/zinc/67/61/72/664676172.db2.gz XQVAUURJXRNDJM-IAQYHMDHSA-N 2 0 397.288 2.850 20 0 GFADRP O=C1O[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)CC12CC[NH2+]CC2 ZINC000925854186 664676193 /nfs/dbraw/zinc/67/61/93/664676193.db2.gz LHKQLXDAXGQIIH-HOCLYGCPSA-N 2 0 379.298 2.711 20 0 GFADRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)c(F)c1 ZINC000925855642 664676195 /nfs/dbraw/zinc/67/61/95/664676195.db2.gz LLEIOYAPPCDFRJ-AAEUAGOBSA-N 2 0 385.277 2.924 20 0 GFADRP CC(C)[N@H+]1[C@@H]2CCN(c3cc(C[NH+](C)C)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838753 720626476 /nfs/dbraw/zinc/62/64/76/720626476.db2.gz LMKBODYWJGPVFJ-PCCBWWKXSA-N 2 0 382.556 2.718 20 0 GFADRP c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164838842 720738713 /nfs/dbraw/zinc/73/87/13/720738713.db2.gz YJBJGQPPWCWMHZ-UHFFFAOYSA-N 2 0 380.540 2.926 20 0 GFADRP c1cncc(CO[C@H]2C[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[N@@H+]3C2)c1 ZINC001164867271 721114306 /nfs/dbraw/zinc/11/43/06/721114306.db2.gz XPAJIHDJLRQIOX-RTWAWAEBSA-N 2 0 379.508 2.557 20 0 GFADRP Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc(N(C)C)[nH+]1 ZINC001165018725 721802767 /nfs/dbraw/zinc/80/27/67/721802767.db2.gz CEPKNSYIUBOJLK-IHPCNDPISA-N 2 0 380.540 2.983 20 0 GFADRP C[N@H+](Cc1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)nc1)C1CC1 ZINC001164958019 722051401 /nfs/dbraw/zinc/05/14/01/722051401.db2.gz AKWVNUUWJHTXMA-JXHRLWIKSA-N 2 0 393.535 2.976 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Br)c(F)c1 ZINC000068332764 551191380 /nfs/dbraw/zinc/19/13/80/551191380.db2.gz NLGPNGLTXDFENQ-UHFFFAOYSA-N 2 0 388.325 2.934 20 0 GFADRP C[C@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000127707034 551343441 /nfs/dbraw/zinc/34/34/41/551343441.db2.gz RYGUEVBKQSDDJT-PBHICJAKSA-N 2 0 382.346 2.888 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000166488436 551631771 /nfs/dbraw/zinc/63/17/71/551631771.db2.gz VTAGPQRUJDCCJL-JKSUJKDBSA-N 2 0 385.599 2.538 20 0 GFADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000182141243 552276232 /nfs/dbraw/zinc/27/62/32/552276232.db2.gz GQLCJRIBKGVHPR-UHFFFAOYSA-N 2 0 396.373 2.772 20 0 GFADRP C[C@H]1CSCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000190462971 552497741 /nfs/dbraw/zinc/49/77/41/552497741.db2.gz CCEDFYHMKNFVQA-MRXNPFEDSA-N 2 0 379.595 2.859 20 0 GFADRP C[C@@H](O)CC[N@H+](C)Cc1ccc(Br)cc1C[NH+](C)CC[C@H](C)O ZINC000248846500 553135681 /nfs/dbraw/zinc/13/56/81/553135681.db2.gz AUJKOYUYRVSDBO-CABCVRRESA-N 2 0 387.362 2.855 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000422756739 563349240 /nfs/dbraw/zinc/34/92/40/563349240.db2.gz HZZJJMQCDIJXIG-AWEZNQCLSA-N 2 0 383.330 2.903 20 0 GFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422778145 563349287 /nfs/dbraw/zinc/34/92/87/563349287.db2.gz AFZPWPPVPOMAMT-DOTOQJQBSA-N 2 0 385.599 2.572 20 0 GFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422878211 563350070 /nfs/dbraw/zinc/35/00/70/563350070.db2.gz JNIIOAYFHBHBIW-KRWDZBQOSA-N 2 0 385.346 2.841 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000423097221 563355237 /nfs/dbraw/zinc/35/52/37/563355237.db2.gz QJWCHFZTJHOPTC-WFASDCNBSA-N 2 0 389.323 2.938 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1Br ZINC000423161996 563358025 /nfs/dbraw/zinc/35/80/25/563358025.db2.gz ONMHRKCPVJMTKV-UKPHBRMFSA-N 2 0 385.346 2.586 20 0 GFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423460419 563360919 /nfs/dbraw/zinc/36/09/19/563360919.db2.gz BCZOKARTASLRMP-DCAQKATOSA-N 2 0 380.341 2.809 20 0 GFADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423521558 563362001 /nfs/dbraw/zinc/36/20/01/563362001.db2.gz GFGAFQHLYFLMKF-IGMKFADOSA-N 2 0 394.357 2.743 20 0 GFADRP [NH3+]C1(CNC(=O)c2coc(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000424016407 563366949 /nfs/dbraw/zinc/36/69/49/563366949.db2.gz CGXZVMANRVDWHF-UHFFFAOYSA-N 2 0 392.297 2.765 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)c2cc1Br ZINC000425230565 563413556 /nfs/dbraw/zinc/41/35/56/563413556.db2.gz CIWOORVGYCLJHH-STQMWFEESA-N 2 0 394.313 2.897 20 0 GFADRP C[C@H](Cc1cccc(Br)c1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433144602 563603921 /nfs/dbraw/zinc/60/39/21/563603921.db2.gz NCBGSRBYLZDUOR-CQSZACIVSA-N 2 0 382.346 2.700 20 0 GFADRP CC[C@H](Cc1ccccc1Br)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414743967 563751898 /nfs/dbraw/zinc/75/18/98/563751898.db2.gz NUNAJORTWBHELR-DOTOQJQBSA-N 2 0 396.373 2.899 20 0 GFADRP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000414748285 563752196 /nfs/dbraw/zinc/75/21/96/563752196.db2.gz NRTGTUGEWCNLBM-LSDHHAIUSA-N 2 0 380.330 2.595 20 0 GFADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc(I)c1OC ZINC000414929425 563754435 /nfs/dbraw/zinc/75/44/35/563754435.db2.gz RJBQGJMFHBSTDM-NWDGAFQWSA-N 2 0 390.265 2.668 20 0 GFADRP Cc1cc(Br)ccc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965472 563755068 /nfs/dbraw/zinc/75/50/68/563755068.db2.gz CYRMMOXTXCMNGJ-AWEZNQCLSA-N 2 0 380.252 2.683 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]CC2(c3ccc(Br)cc3)CCC2)C1 ZINC000415082471 563758906 /nfs/dbraw/zinc/75/89/06/563758906.db2.gz OKVXCNMMZLUYHZ-OAHLLOKOSA-N 2 0 394.357 2.658 20 0 GFADRP Cc1nn(C)c(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1Br ZINC000364766002 563763285 /nfs/dbraw/zinc/76/32/85/563763285.db2.gz ZMMSMVVWVTUPRY-UHFFFAOYSA-N 2 0 398.393 2.531 20 0 GFADRP [NH3+]CC[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C(F)(F)F ZINC000415989360 563801011 /nfs/dbraw/zinc/80/10/11/563801011.db2.gz ADJMTZQPNDGXBV-AWEZNQCLSA-N 2 0 378.464 2.539 20 0 GFADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1sccc1C[NH+](C)C ZINC000447441995 563881888 /nfs/dbraw/zinc/88/18/88/563881888.db2.gz OUUJKVLGFFETAC-CQSZACIVSA-N 2 0 378.567 2.827 20 0 GFADRP Fc1ccc2c(c1Br)CC[C@H]2NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000566103563 564309527 /nfs/dbraw/zinc/30/95/27/564309527.db2.gz ADEWECOGTPBOQT-CQSZACIVSA-N 2 0 394.292 2.950 20 0 GFADRP C[C@@H](C[NH2+][C@H](Cc1ccccc1Br)C1CC1)N1CC[NH+](C)CC1 ZINC000453089367 564446055 /nfs/dbraw/zinc/44/60/55/564446055.db2.gz AXWDVVQNXJNUBM-HNAYVOBHSA-N 2 0 380.374 2.996 20 0 GFADRP Cc1c([C@H](C)[NH2+]CC2=CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000514667447 564453848 /nfs/dbraw/zinc/45/38/48/564453848.db2.gz PJWMIQFPWMOISQ-LBPRGKRZSA-N 2 0 376.302 2.909 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1Br ZINC000453380733 564456218 /nfs/dbraw/zinc/45/62/18/564456218.db2.gz RDWGMGHHZMZKJM-YQYZPQCESA-N 2 0 399.373 2.927 20 0 GFADRP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000569363997 564461282 /nfs/dbraw/zinc/46/12/82/564461282.db2.gz VHYZXJJEBOFSDK-YOEHRIQHSA-N 2 0 394.357 2.948 20 0 GFADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000571681752 564561860 /nfs/dbraw/zinc/56/18/60/564561860.db2.gz DDRJEKGUGZZOJI-XIRDDKMYSA-N 2 0 394.357 2.948 20 0 GFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000550155897 564616600 /nfs/dbraw/zinc/61/66/00/564616600.db2.gz DZYYQUKXJRJLQE-MRXNPFEDSA-N 2 0 380.374 2.922 20 0 GFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000577879301 564738072 /nfs/dbraw/zinc/73/80/72/564738072.db2.gz UJBPNTJJONGRQM-CYBMUJFWSA-N 2 0 398.345 2.709 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527658359 564752839 /nfs/dbraw/zinc/75/28/39/564752839.db2.gz XPIRORNZRWUEMT-LBPRGKRZSA-N 2 0 398.374 2.626 20 0 GFADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685745 564756614 /nfs/dbraw/zinc/75/66/14/564756614.db2.gz BEYLLRRBRKRASV-WBAXXEDZSA-N 2 0 385.321 2.956 20 0 GFADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1ccc(Br)cc1 ZINC000581662494 564812767 /nfs/dbraw/zinc/81/27/67/564812767.db2.gz LNQCDDBKBTUBRD-KRWDZBQOSA-N 2 0 383.330 2.653 20 0 GFADRP Cc1cc(Br)cc2c1[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000493977359 564814891 /nfs/dbraw/zinc/81/48/91/564814891.db2.gz NMHOGJAMTCOUSC-NVXWUHKLSA-N 2 0 394.357 2.922 20 0 GFADRP C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Br)s1 ZINC000530641866 564890543 /nfs/dbraw/zinc/89/05/43/564890543.db2.gz WOIAWCCZDFSLNR-GFCCVEGCSA-N 2 0 376.364 2.566 20 0 GFADRP Clc1ccc(-n2cc(C[NH2+]CCCC[NH+]3CCOCC3)nn2)c(Cl)c1 ZINC000534452585 564989215 /nfs/dbraw/zinc/98/92/15/564989215.db2.gz WREUICNQIWEYBE-UHFFFAOYSA-N 2 0 384.311 2.776 20 0 GFADRP CC[NH+](CC)CCSCC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000469040182 565003393 /nfs/dbraw/zinc/00/33/93/565003393.db2.gz UKYHHWVAFHAZPV-UHFFFAOYSA-N 2 0 387.659 2.929 20 0 GFADRP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636066535 565088836 /nfs/dbraw/zinc/08/88/36/565088836.db2.gz VZGJZJZTYDIDTP-AWEZNQCLSA-N 2 0 397.361 2.727 20 0 GFADRP CN1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638412990 565194974 /nfs/dbraw/zinc/19/49/74/565194974.db2.gz VYTFNMKQCGIVOU-FHWLQOOXSA-N 2 0 396.373 2.631 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)COC1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000638663407 565206646 /nfs/dbraw/zinc/20/66/46/565206646.db2.gz GUYKWBDTOCVGSQ-KVULBXGLSA-N 2 0 388.339 2.999 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000639376825 565242892 /nfs/dbraw/zinc/24/28/92/565242892.db2.gz AWQMPFZUBKIGOA-RCCFBDPRSA-N 2 0 379.342 2.912 20 0 GFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000662326036 565360135 /nfs/dbraw/zinc/36/01/35/565360135.db2.gz URBVGTNMEKABPW-KRWDZBQOSA-N 2 0 398.345 2.820 20 0 GFADRP C[C@H](CC[NH+](C)C)Nc1ncnc(N[C@H](C)CC[NH+](C)C)c1Br ZINC000663453799 565422999 /nfs/dbraw/zinc/42/29/99/565422999.db2.gz WLMFKHMEEBCSNT-CHWSQXEVSA-N 2 0 387.370 2.743 20 0 GFADRP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000623889796 565534077 /nfs/dbraw/zinc/53/40/77/565534077.db2.gz WIORDQAWCGRRFV-OLZOCXBDSA-N 2 0 378.870 2.910 20 0 GFADRP O=C(NCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC000647789303 565675878 /nfs/dbraw/zinc/67/58/78/565675878.db2.gz AMWHJJNOAMPABB-HLLBOEOZSA-N 2 0 380.330 2.547 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(Cl)c(Cl)c1 ZINC000627099435 565721471 /nfs/dbraw/zinc/72/14/71/565721471.db2.gz QHZUFDNDKBCNFR-STQMWFEESA-N 2 0 383.270 2.878 20 0 GFADRP COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000651460479 565864860 /nfs/dbraw/zinc/86/48/60/565864860.db2.gz KLZOVNFMRMFFRS-GOEBONIOSA-N 2 0 399.373 2.929 20 0 GFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820426486 599375293 /nfs/dbraw/zinc/37/52/93/599375293.db2.gz KNZUKPIQXJGWSZ-MRXNPFEDSA-N 2 0 380.496 2.700 20 0 GFADRP C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000824598554 608280636 /nfs/dbraw/zinc/28/06/36/608280636.db2.gz GESBAAZYAZXEBP-MRXNPFEDSA-N 2 0 396.495 2.537 20 0 GFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000824625070 609406771 /nfs/dbraw/zinc/40/67/71/609406771.db2.gz FGFAEZPEAYJFRA-IIBYNOLFSA-N 2 0 392.507 2.674 20 0 GFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000824625069 609406786 /nfs/dbraw/zinc/40/67/86/609406786.db2.gz FGFAEZPEAYJFRA-IERDGZPVSA-N 2 0 392.507 2.674 20 0 GFADRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)c3ccc(Br)cc3)CC2)CC1 ZINC000818986776 660241552 /nfs/dbraw/zinc/24/15/52/660241552.db2.gz AMGZTZKDOZYARG-LJQANCHMSA-N 2 0 396.373 2.631 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Br ZINC000819083905 660245826 /nfs/dbraw/zinc/24/58/26/660245826.db2.gz HRXCGRWUSJQDAT-RDTXWAMCSA-N 2 0 383.330 2.573 20 0 GFADRP COCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819007328 660243146 /nfs/dbraw/zinc/24/31/46/660243146.db2.gz WFADGAOSICGVMW-QGZVFWFLSA-N 2 0 389.309 2.712 20 0 GFADRP COc1sc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1Br ZINC000269505689 655011820 /nfs/dbraw/zinc/01/18/20/655011820.db2.gz RJHXJOPEKHFSDX-UHFFFAOYSA-N 2 0 377.348 2.844 20 0 GFADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000092615815 655014953 /nfs/dbraw/zinc/01/49/53/655014953.db2.gz MMEQVAUKWVAPGM-UHFFFAOYSA-N 2 0 375.485 2.625 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000103213277 655069175 /nfs/dbraw/zinc/06/91/75/655069175.db2.gz NXBUZFQPAMKOAV-SJORKVTESA-N 2 0 382.346 2.504 20 0 GFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Br)ncc1F ZINC000273917391 655164247 /nfs/dbraw/zinc/16/42/47/655164247.db2.gz YYLUEZVKBRAQTF-CYBMUJFWSA-N 2 0 387.341 2.907 20 0 GFADRP C[C@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)N1CC[NH+](C)CC1 ZINC000111384113 655172451 /nfs/dbraw/zinc/17/24/51/655172451.db2.gz QQWXTKPPUPJKIG-CQSZACIVSA-N 2 0 392.345 2.565 20 0 GFADRP C[NH+](CCCCO)Cc1cc(Br)ccc1C[N@H+](C)CCCCO ZINC000277516996 655324241 /nfs/dbraw/zinc/32/42/41/655324241.db2.gz QMHHIGKDPBHCCI-UHFFFAOYSA-N 2 0 387.362 2.858 20 0 GFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000578523324 655480831 /nfs/dbraw/zinc/48/08/31/655480831.db2.gz XPQBPDJWVXPHAD-AAEUAGOBSA-N 2 0 379.726 2.772 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000840764820 661185226 /nfs/dbraw/zinc/18/52/26/661185226.db2.gz AODZXJVJJJLDPN-AEFFLSMTSA-N 2 0 380.627 2.960 20 0 GFADRP C[NH+](C)CCCNC(=S)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762460877 656042691 /nfs/dbraw/zinc/04/26/91/656042691.db2.gz KONLGTWNNVNGJQ-YOEHRIQHSA-N 2 0 386.968 2.888 20 0 GFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc(Br)cnc3Cl)C2)CC1 ZINC000842680307 661348812 /nfs/dbraw/zinc/34/88/12/661348812.db2.gz OZEQYESKQBXRGD-AWEZNQCLSA-N 2 0 387.753 2.756 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000849088014 661691282 /nfs/dbraw/zinc/69/12/82/661691282.db2.gz NGGFZPOZNVOQDB-UKRRQHHQSA-N 2 0 383.334 2.815 20 0 GFADRP CC[N@H+](CCC1CC[NH+](CCn2cnc(Br)n2)CC1)CC1CC1 ZINC000851889437 661843655 /nfs/dbraw/zinc/84/36/55/661843655.db2.gz JAQMWDITQDYREH-UHFFFAOYSA-N 2 0 384.366 2.875 20 0 GFADRP CC(C)n1cc(Br)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020461 662671434 /nfs/dbraw/zinc/67/14/34/662671434.db2.gz CASWGNUHXKUSGL-HUUCEWRRSA-N 2 0 399.377 2.643 20 0 GFADRP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000870021209 662671600 /nfs/dbraw/zinc/67/16/00/662671600.db2.gz CJHSXXBCHJQNBI-USXIJHARSA-N 2 0 396.373 2.750 20 0 GFADRP [NH3+][C@@H](C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)c1cccc(Br)c1 ZINC000877159185 662871779 /nfs/dbraw/zinc/87/17/79/662871779.db2.gz AMZHTXYTGWHODP-IAGOWNOFSA-N 2 0 376.298 2.525 20 0 GFADRP C[NH+]1CCC2(CCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)CC2)CC1 ZINC000877193259 662872172 /nfs/dbraw/zinc/87/21/72/662872172.db2.gz YPHGCHVPCJPZMI-INIZCTEOSA-N 2 0 380.330 2.783 20 0 GFADRP C[NH+]1CCC(NC(=O)C[NH2+][C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000878644511 662901538 /nfs/dbraw/zinc/90/15/38/662901538.db2.gz XHEVKCUKLVKDHB-SFHVURJKSA-N 2 0 394.357 2.873 20 0 GFADRP C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000893354364 663408060 /nfs/dbraw/zinc/40/80/60/663408060.db2.gz JUOUHVWDKYZLFP-IEBWSBKVSA-N 2 0 394.357 2.775 20 0 GFADRP C[NH+]1CCC(CN2CCn3c(c(Br)nc3C(F)(F)F)C2)CC1 ZINC000898068858 663632121 /nfs/dbraw/zinc/63/21/21/663632121.db2.gz SFYCDPNZAJXFNS-UHFFFAOYSA-N 2 0 381.240 2.822 20 0 GFADRP COc1c(Br)cccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980747 663814982 /nfs/dbraw/zinc/81/49/82/663814982.db2.gz ZEFINWRUFUSLQX-CALCHBBNSA-N 2 0 394.357 2.858 20 0 GFADRP C[NH2+]C[C@@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)C1 ZINC000911634496 664250985 /nfs/dbraw/zinc/25/09/85/664250985.db2.gz NNDDAFPLCJFURJ-HNNXBMFYSA-N 2 0 394.357 2.528 20 0 GFADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)C1 ZINC000911819387 664257217 /nfs/dbraw/zinc/25/72/17/664257217.db2.gz ALSLURFMRASFGQ-CABCVRRESA-N 2 0 394.357 2.656 20 0 GFADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)cn3)C2)[C@H]1C(C)C ZINC000922392173 664598869 /nfs/dbraw/zinc/59/88/69/664598869.db2.gz BYTTVAMGUIYDEX-BRSBDYLESA-N 2 0 382.346 2.804 20 0 GFADRP O[C@@H](COc1ccc(Cl)cc1Br)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923330700 664628467 /nfs/dbraw/zinc/62/84/67/664628467.db2.gz CKBWTASHIXQQHX-CZUORRHYSA-N 2 0 389.721 2.528 20 0 GFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924630890 664659098 /nfs/dbraw/zinc/65/90/98/664659098.db2.gz BSDDVQZZRAAPRH-GOSISDBHSA-N 2 0 381.362 2.837 20 0 GFADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(F)c(I)c1 ZINC000925817367 664675277 /nfs/dbraw/zinc/67/52/77/664675277.db2.gz QRYQFMJDRYSCHM-LLVKDONJSA-N 2 0 391.272 2.504 20 0 GFADRP O=C1O[C@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC12CC[NH2+]CC2 ZINC000925848931 664675744 /nfs/dbraw/zinc/67/57/44/664675744.db2.gz LNTFPZRJNSWNIL-CABCVRRESA-N 2 0 393.325 2.581 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC12CC[NH2+]CC2 ZINC000925854207 664676211 /nfs/dbraw/zinc/67/62/11/664676211.db2.gz LOOVRJBBJDCEJO-IAGOWNOFSA-N 2 0 393.325 2.581 20 0 GFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000926201706 664684597 /nfs/dbraw/zinc/68/45/97/664684597.db2.gz OLHXZBFTGHBKED-KSSFIOAISA-N 2 0 381.362 2.837 20 0 GFADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4c2CC[NH2+]C4)CC3)cs1 ZINC001164691205 719805802 /nfs/dbraw/zinc/80/58/02/719805802.db2.gz FQYWCLIXUCGDNW-UHFFFAOYSA-N 2 0 384.553 2.522 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164832546 720323287 /nfs/dbraw/zinc/32/32/87/720323287.db2.gz UIGYLZYSDZQZBQ-PMACEKPBSA-N 2 0 381.524 2.783 20 0 GFADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834440 720505121 /nfs/dbraw/zinc/50/51/21/720505121.db2.gz GMRFXGLBOJTXGJ-SLFFLAALSA-N 2 0 397.571 2.815 20 0 GFADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cccc(N3CCOCC3)[nH+]1)[C@@H]2C ZINC001164858098 720986887 /nfs/dbraw/zinc/98/68/87/720986887.db2.gz GWMLCMPCKOGJCT-QGZVFWFLSA-N 2 0 384.528 2.536 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)[nH+]1 ZINC001164889514 721417254 /nfs/dbraw/zinc/41/72/54/721417254.db2.gz RIFPLFJKBSJFFH-PGRDOPGGSA-N 2 0 383.540 2.637 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164887731 721417504 /nfs/dbraw/zinc/41/75/04/721417504.db2.gz MUKLLAXXUNJTBB-IFMALSPDSA-N 2 0 388.556 2.634 20 0 GFADRP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc(N(C)C)[nH+]1 ZINC001165018723 721802862 /nfs/dbraw/zinc/80/28/62/721802862.db2.gz CEPKNSYIUBOJLK-DFQSSKMNSA-N 2 0 380.540 2.983 20 0 GFADRP COc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc(I)c1OC ZINC000415041397 563757177 /nfs/dbraw/zinc/75/71/77/563757177.db2.gz PVTGWKLIGLJJQW-CMPLNLGQSA-N 2 0 390.265 2.525 20 0 GFADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000418697678 563222733 /nfs/dbraw/zinc/22/27/33/563222733.db2.gz MEUIWZXRYNYJMR-KGLIPLIRSA-N 2 0 397.361 2.791 20 0 GFADRP Cc1ccc(Br)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000370573704 563248977 /nfs/dbraw/zinc/24/89/77/563248977.db2.gz JKABPZPAKLOGGV-MRXNPFEDSA-N 2 0 394.357 2.998 20 0 GFADRP C[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000295853597 563265568 /nfs/dbraw/zinc/26/55/68/563265568.db2.gz GEPDFUDPJJFFKW-IBGZPJMESA-N 2 0 380.374 2.997 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(Br)ccc2F)CC[NH2+]CC1 ZINC000422815956 563350062 /nfs/dbraw/zinc/35/00/62/563350062.db2.gz YUOVGOWHHWTQJJ-GFCCVEGCSA-N 2 0 387.293 2.999 20 0 GFADRP COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc(Br)c1OC ZINC000422948243 563351575 /nfs/dbraw/zinc/35/15/75/563351575.db2.gz RNXGAGKUWSQOEJ-VNQPRFMTSA-N 2 0 399.329 2.713 20 0 GFADRP Cc1cc(N2CC[C@H]([NH2+]C3CCC(C[NH3+])CC3)C2=O)ccc1Br ZINC000423051777 563354002 /nfs/dbraw/zinc/35/40/02/563354002.db2.gz PACLYHLRKATACI-KVULBXGLSA-N 2 0 380.330 2.970 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1Br ZINC000423154880 563357000 /nfs/dbraw/zinc/35/70/00/563357000.db2.gz KHIIKVSVDWOXDA-BHYGNILZSA-N 2 0 385.346 2.858 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423196516 563358870 /nfs/dbraw/zinc/35/88/70/563358870.db2.gz ZWTBVSDFOQNNPG-ZOCIIQOWSA-N 2 0 396.373 2.755 20 0 GFADRP FC(F)(F)[C@H](C[NH2+][C@H]1CCCOc2c(Cl)cccc21)N1CC[NH2+]CC1 ZINC000423394861 563360057 /nfs/dbraw/zinc/36/00/57/563360057.db2.gz SFNGIJHGGCKGKG-GJZGRUSLSA-N 2 0 377.838 2.979 20 0 GFADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21)N1CC[NH2+]CC1 ZINC000423395467 563360095 /nfs/dbraw/zinc/36/00/95/563360095.db2.gz SPYKYHJZRDHHBD-ZBFHGGJFSA-N 2 0 377.838 2.979 20 0 GFADRP COc1cc([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1SC ZINC000423377732 563360410 /nfs/dbraw/zinc/36/04/10/563360410.db2.gz FGDQGQOADDKQCP-MLGOLLRUSA-N 2 0 377.476 2.904 20 0 GFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc4c(cc3Br)OCO4)CC2)C1 ZINC000333209912 563624222 /nfs/dbraw/zinc/62/42/22/563624222.db2.gz ZMHHGTVONACEBW-ZBFHGGJFSA-N 2 0 397.313 2.896 20 0 GFADRP COc1cc(C[N@H+](C)CC(C)(C)C[NH3+])cc(I)c1OC ZINC000435375716 563649020 /nfs/dbraw/zinc/64/90/20/563649020.db2.gz NWEWFMJSWDIFCI-UHFFFAOYSA-N 2 0 392.281 2.725 20 0 GFADRP Cc1cc(Br)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000414978174 563756065 /nfs/dbraw/zinc/75/60/65/563756065.db2.gz SHVHFOMDCLDHNJ-LBPRGKRZSA-N 2 0 386.281 2.745 20 0 GFADRP [NH3+]CC[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C(F)(F)F ZINC000415989361 563801226 /nfs/dbraw/zinc/80/12/26/563801226.db2.gz ADJMTZQPNDGXBV-CQSZACIVSA-N 2 0 378.464 2.539 20 0 GFADRP CN1CCC([NH+]2CCC(CCN=c3[n-]c(C(F)(F)F)ns3)CC2)CC1 ZINC000367834136 563857468 /nfs/dbraw/zinc/85/74/68/563857468.db2.gz FBHWCURHFBCFOU-UHFFFAOYSA-N 2 0 377.480 2.587 20 0 GFADRP C[C@@H](C[NH2+]Cc1ccnc2c(Br)cccc12)CN1CC[NH+](C)CC1 ZINC000449131218 563906790 /nfs/dbraw/zinc/90/67/90/563906790.db2.gz KWNAWONATPGCSS-HNNXBMFYSA-N 2 0 391.357 2.970 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1ccc(Br)cc1 ZINC000565534808 564285050 /nfs/dbraw/zinc/28/50/50/564285050.db2.gz IKWKGNSJRMJVDE-QGZVFWFLSA-N 2 0 383.330 2.653 20 0 GFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232107 564454487 /nfs/dbraw/zinc/45/44/87/564454487.db2.gz JYELKKIIMJZPIL-GDBMZVCRSA-N 2 0 391.339 2.824 20 0 GFADRP C[NH+](C)CCCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480208011 564463897 /nfs/dbraw/zinc/46/38/97/564463897.db2.gz HBSAYNLHJHTKQP-AWEZNQCLSA-N 2 0 375.332 2.599 20 0 GFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@@H]2CCC[C@H]21 ZINC000552275876 564684256 /nfs/dbraw/zinc/68/42/56/564684256.db2.gz CQLLNIGEPABDRU-NXNVCVFFSA-N 2 0 383.330 2.651 20 0 GFADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000575248354 564695735 /nfs/dbraw/zinc/69/57/35/564695735.db2.gz FCNKJPFRHHBYQH-RTBURBONSA-N 2 0 379.957 2.689 20 0 GFADRP COCCN(C)C[C@@H](O)C[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000575326788 564696940 /nfs/dbraw/zinc/69/69/40/564696940.db2.gz FTVBIABGWQUJHY-INIZCTEOSA-N 2 0 387.362 2.607 20 0 GFADRP C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)N1CC[NH+](C)CC1 ZINC000527652688 564752899 /nfs/dbraw/zinc/75/28/99/564752899.db2.gz GXWUELGDNUOUNC-GFCCVEGCSA-N 2 0 398.374 2.626 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000529389185 564833018 /nfs/dbraw/zinc/83/30/18/564833018.db2.gz SYLVAHKPLMQCIT-VBQJREDUSA-N 2 0 385.339 2.847 20 0 GFADRP Brc1ccc(-c2noc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)s1 ZINC000583143483 564877144 /nfs/dbraw/zinc/87/71/44/564877144.db2.gz MZEZHHPNVFSJJD-PHIMTYICSA-N 2 0 383.315 2.992 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(Br)c1OC(F)F ZINC000583171102 564879162 /nfs/dbraw/zinc/87/91/62/564879162.db2.gz WQRRJCNBQJLFBG-UHFFFAOYSA-N 2 0 394.304 2.976 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCc1ccccc1Br ZINC000532268048 564933136 /nfs/dbraw/zinc/93/31/36/564933136.db2.gz PCWNVUUSYOTDQJ-UHFFFAOYSA-N 2 0 384.362 2.724 20 0 GFADRP Brc1cnc2c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cnn2c1 ZINC000637905951 565177618 /nfs/dbraw/zinc/17/76/18/565177618.db2.gz PNTOYIVBLOIYTI-UHFFFAOYSA-N 2 0 378.318 2.800 20 0 GFADRP C[NH+]1CCC2(CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)CC1 ZINC000639763387 565258749 /nfs/dbraw/zinc/25/87/49/565258749.db2.gz QNFTWBXCDOPOLT-MRXNPFEDSA-N 2 0 383.330 2.607 20 0 GFADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(I)cc1 ZINC000618577408 565306549 /nfs/dbraw/zinc/30/65/49/565306549.db2.gz GYKNRSFEDVRABG-HNNXBMFYSA-N 2 0 376.282 2.910 20 0 GFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000662324427 565360956 /nfs/dbraw/zinc/36/09/56/565360956.db2.gz XSBZQGSJWLNVCY-KRWDZBQOSA-N 2 0 398.345 2.820 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)[C@H](N)c1ccccc1Br)c1cccs1 ZINC000662347515 565361755 /nfs/dbraw/zinc/36/17/55/565361755.db2.gz GMGCOWHQMILMFP-UKRRQHHQSA-N 2 0 382.327 2.930 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000662589021 565378048 /nfs/dbraw/zinc/37/80/48/565378048.db2.gz XXYOEFQTZXPKIR-HNAYVOBHSA-N 2 0 394.357 2.861 20 0 GFADRP O=S1(=O)CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2cc(Br)ccc21 ZINC000643510616 565435353 /nfs/dbraw/zinc/43/53/53/565435353.db2.gz ZDDIILWJYQHBJD-WFASDCNBSA-N 2 0 387.343 2.647 20 0 GFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)CC1 ZINC000594961316 565438291 /nfs/dbraw/zinc/43/82/91/565438291.db2.gz MURXMPSKNLRVJF-WHEFHEQHSA-N 2 0 383.989 2.871 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[NH+]([C@H]4CCOC4)CC3)c2cc1Br ZINC000644872571 565500432 /nfs/dbraw/zinc/50/04/32/565500432.db2.gz LUNAZXQQHKEPFK-ZDUSSCGKSA-N 2 0 392.297 2.917 20 0 GFADRP Brc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(N2CCOCC2)c1 ZINC000666955405 565564365 /nfs/dbraw/zinc/56/43/65/565564365.db2.gz GUKINGZFQKQBFT-KRWDZBQOSA-N 2 0 380.330 2.517 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1c(Cl)cccc1Br ZINC000668302349 565638568 /nfs/dbraw/zinc/63/85/68/565638568.db2.gz FIZMVOQXXSIRCJ-UHFFFAOYSA-N 2 0 390.753 2.597 20 0 GFADRP O=C(NCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000647788857 565675819 /nfs/dbraw/zinc/67/58/19/565675819.db2.gz SUYFMKPGULGHSX-ZMSDIMECSA-N 2 0 380.330 2.547 20 0 GFADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000627168632 565725244 /nfs/dbraw/zinc/72/52/44/565725244.db2.gz ACGNAXADFULAMK-DLBZAZTESA-N 2 0 397.361 2.663 20 0 GFADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000629568008 565859453 /nfs/dbraw/zinc/85/94/53/565859453.db2.gz RIHOMJVVWHYLLE-STQMWFEESA-N 2 0 376.328 2.727 20 0 GFADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCOCCC[NH3+] ZINC000629680442 565866339 /nfs/dbraw/zinc/86/63/39/565866339.db2.gz QSPSMLTZAZGEEJ-UHFFFAOYSA-N 2 0 381.318 2.707 20 0 GFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736858906 598562220 /nfs/dbraw/zinc/56/22/20/598562220.db2.gz VPPLBTBRQNAJJG-SFHVURJKSA-N 2 0 392.507 2.877 20 0 GFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821197144 606847138 /nfs/dbraw/zinc/84/71/38/606847138.db2.gz GSURWHXDJOONIQ-FQEVSTJZSA-N 2 0 380.496 2.532 20 0 GFADRP CN(c1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](C)CC1 ZINC000821622166 607129085 /nfs/dbraw/zinc/12/90/85/607129085.db2.gz UWFWJDMGWMCWFA-UHFFFAOYSA-N 2 0 391.523 2.687 20 0 GFADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1-c1nn[nH]n1 ZINC000826202103 608287028 /nfs/dbraw/zinc/28/70/28/608287028.db2.gz OAYIWGZRYOQCBA-HNNXBMFYSA-N 2 0 396.495 2.667 20 0 GFADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825966051 608524476 /nfs/dbraw/zinc/52/44/76/608524476.db2.gz LSBVNFDFHZSMJH-UHFFFAOYSA-N 2 0 392.507 2.973 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576460 660201210 /nfs/dbraw/zinc/20/12/10/660201210.db2.gz RTSBCUHYSHTJQX-HNNXBMFYSA-N 2 0 387.391 2.974 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000817906293 660211906 /nfs/dbraw/zinc/21/19/06/660211906.db2.gz WRUAMSSRWNDIEA-DOMZBBRYSA-N 2 0 389.323 2.938 20 0 GFADRP C[C@H]1CN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000822797812 660354589 /nfs/dbraw/zinc/35/45/89/660354589.db2.gz LWBVTIQZYZUARQ-GDIGMMSISA-N 2 0 386.367 2.985 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cn2cc(Br)cn2)[C@H](C)C1 ZINC000122285537 654732359 /nfs/dbraw/zinc/73/23/59/654732359.db2.gz RRAOKPACQXSWIC-VYDXJSESSA-N 2 0 387.366 2.761 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000057718410 654809116 /nfs/dbraw/zinc/80/91/16/654809116.db2.gz QKZFGZSFCUJBRD-UHFFFAOYSA-N 2 0 396.384 2.888 20 0 GFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@@H+]1C ZINC000127071811 654824083 /nfs/dbraw/zinc/82/40/83/654824083.db2.gz JXDNFXDGDNROFQ-CVEARBPZSA-N 2 0 385.599 2.538 20 0 GFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000266911363 654898937 /nfs/dbraw/zinc/89/89/37/654898937.db2.gz JDGUTWGZYBSQOI-UHFFFAOYSA-N 2 0 387.355 2.891 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000177966280 655293001 /nfs/dbraw/zinc/29/30/01/655293001.db2.gz KQHOQUQLBAAKHD-PBHICJAKSA-N 2 0 382.346 2.888 20 0 GFADRP CCC[NH+]1CCC([NH2+]CCc2ccc(S(=O)(=O)N(CC)CC)s2)CC1 ZINC000119355786 655300371 /nfs/dbraw/zinc/30/03/71/655300371.db2.gz GEPYSKCDCHHPLO-UHFFFAOYSA-N 2 0 387.615 2.785 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(Br)cc1 ZINC000261928696 655442938 /nfs/dbraw/zinc/44/29/38/655442938.db2.gz ZSDKNZWJEIMLCP-SJLPKXTDSA-N 2 0 380.330 2.614 20 0 GFADRP CC(C)[C@@H](C[NH2+]Cc1cc(Br)cnc1Cl)N1CC[NH+](C)CC1 ZINC000842671084 661348449 /nfs/dbraw/zinc/34/84/49/661348449.db2.gz WCEHVPDYWFIJPE-OAHLLOKOSA-N 2 0 389.769 2.859 20 0 GFADRP C[Si](C)(CC[NH+]1CCO[C@H](CCF)C1)CC[N@@H+]1CCO[C@H](CCF)C1 ZINC000859908268 662178601 /nfs/dbraw/zinc/17/86/01/662178601.db2.gz DXDPUAQKSPMAHE-QZTJIDSGSA-N 2 0 378.580 2.816 20 0 GFADRP Cn1nc(Br)cc1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865774024 662442733 /nfs/dbraw/zinc/44/27/33/662442733.db2.gz NHRDTICXKNTGDA-UHFFFAOYSA-N 2 0 377.330 2.936 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000870893574 662707213 /nfs/dbraw/zinc/70/72/13/662707213.db2.gz YYMLBMDGKYDEFO-KRWDZBQOSA-N 2 0 380.330 2.783 20 0 GFADRP [NH3+][C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc(Br)c1 ZINC000870894409 662707298 /nfs/dbraw/zinc/70/72/98/662707298.db2.gz SBXNQKSQTYLZKS-YOEHRIQHSA-N 2 0 380.330 2.783 20 0 GFADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C(F)(F)F ZINC000872152201 662757018 /nfs/dbraw/zinc/75/70/18/662757018.db2.gz OYYFSJPZKBUTPM-GWCFXTLKSA-N 2 0 394.235 2.847 20 0 GFADRP [NH3+][C@@H](CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)Cc1ccccc1 ZINC000877159186 662871750 /nfs/dbraw/zinc/87/17/50/662871750.db2.gz AMZHTXYTGWHODP-IRXDYDNUSA-N 2 0 376.298 2.525 20 0 GFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884229916 663067425 /nfs/dbraw/zinc/06/74/25/663067425.db2.gz DMVVIQXHVPPRDW-WMLDXEAASA-N 2 0 380.330 2.639 20 0 GFADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000884328501 663069080 /nfs/dbraw/zinc/06/90/80/663069080.db2.gz RHXMCUNAPSMKQE-QGTPRVQTSA-N 2 0 392.341 2.924 20 0 GFADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884346019 663069420 /nfs/dbraw/zinc/06/94/20/663069420.db2.gz WPTNIRCDCQPWCR-HOTGVXAUSA-N 2 0 380.330 2.686 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000884394791 663070186 /nfs/dbraw/zinc/07/01/86/663070186.db2.gz NIPSQGZTXVOUTE-RDJZCZTQSA-N 2 0 380.330 2.687 20 0 GFADRP Cn1nc(Br)nc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000894204174 663448439 /nfs/dbraw/zinc/44/84/39/663448439.db2.gz ZDJHWDITDDOWSY-UHFFFAOYSA-N 2 0 378.318 2.579 20 0 GFADRP [NH3+][C@H](Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)Cc1ccc(Br)cc1 ZINC000900016934 663706501 /nfs/dbraw/zinc/70/65/01/663706501.db2.gz TZSAKBAHUBFSJI-XLMXVRBTSA-N 2 0 391.313 2.943 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000902319427 663759013 /nfs/dbraw/zinc/75/90/13/663759013.db2.gz LDQQKDNIYIGZLN-OAHLLOKOSA-N 2 0 387.615 2.689 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cnn1C ZINC000903898217 663810564 /nfs/dbraw/zinc/81/05/64/663810564.db2.gz MLWWIGFGPDKKIY-OAHLLOKOSA-N 2 0 385.339 2.647 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000913159162 664326839 /nfs/dbraw/zinc/32/68/39/664326839.db2.gz KEQYYYPHLDVYJV-WMZOPIPTSA-N 2 0 388.339 2.559 20 0 GFADRP C[NH+]1CCN(CCC[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000921509768 664551350 /nfs/dbraw/zinc/55/13/50/664551350.db2.gz SFFTYILNOIIMGB-UHFFFAOYSA-N 2 0 383.309 2.797 20 0 GFADRP Cc1c(Br)cncc1C[NH2+][C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922388429 664598207 /nfs/dbraw/zinc/59/82/07/664598207.db2.gz DWJFCTIHMXREBG-BRSBDYLESA-N 2 0 382.346 2.722 20 0 GFADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncc(Br)c3)C2)[C@H]1C(C)C ZINC000922395157 664599451 /nfs/dbraw/zinc/59/94/51/664599451.db2.gz UJHGHYZWIVMYOW-TVFCKZIOSA-N 2 0 382.346 2.804 20 0 GFADRP O[C@@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000923410350 664630059 /nfs/dbraw/zinc/63/00/59/664630059.db2.gz NFNNLQCMIZIDKP-ROUUACIJSA-N 2 0 383.330 2.573 20 0 GFADRP Clc1ccc(-c2nc3sccn3c2CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923461158 664630988 /nfs/dbraw/zinc/63/09/88/664630988.db2.gz ZSUFLIILHLATTJ-UHFFFAOYSA-N 2 0 375.929 2.711 20 0 GFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1nc(Br)ccc1F ZINC000924958922 664664505 /nfs/dbraw/zinc/66/45/05/664664505.db2.gz NKDLLWNFTQMMOF-CYBMUJFWSA-N 2 0 387.341 2.907 20 0 GFADRP O=C1O[C@H](C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC12CC[NH2+]CC2 ZINC000925848117 664675760 /nfs/dbraw/zinc/67/57/60/664675760.db2.gz AFGMAKSJCFXDAJ-NHYWBVRUSA-N 2 0 397.288 2.850 20 0 GFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849680 664675864 /nfs/dbraw/zinc/67/58/64/664675864.db2.gz JSBBXRXEIHWRPI-XJKSGUPXSA-N 2 0 381.314 2.655 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC12CC[NH2+]CC2 ZINC000925854206 664676170 /nfs/dbraw/zinc/67/61/70/664676170.db2.gz LOOVRJBBJDCEJO-DLBZAZTESA-N 2 0 393.325 2.581 20 0 GFADRP CCOC(=O)C1CC[NH+](C2CCN(c3cc(N4CCCC4)cc[nH+]3)CC2)CC1 ZINC001164617397 719029366 /nfs/dbraw/zinc/02/93/66/719029366.db2.gz KTCWPEQNTKZKHX-UHFFFAOYSA-N 2 0 386.540 2.926 20 0 GFADRP Fc1cccnc1N(c1ncccc1C[NH+]1CCCC1)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164691048 719760208 /nfs/dbraw/zinc/76/02/08/719760208.db2.gz KOCUJSTWWIRJMF-GCJKJVERSA-N 2 0 397.498 2.871 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164739958 720832642 /nfs/dbraw/zinc/83/26/42/720832642.db2.gz BDJBYPGOEBAVOB-IRFCIJBXSA-N 2 0 396.539 2.840 20 0 GFADRP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(N(C)C)cc[nH+]3)C2)C1 ZINC001164779968 721349431 /nfs/dbraw/zinc/34/94/31/721349431.db2.gz XOWPFPLGUNUDEY-JOCHJYFZSA-N 2 0 399.539 2.871 20 0 GFADRP CC(C)C(=O)N1CC[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@H]21 ZINC001164893755 721467103 /nfs/dbraw/zinc/46/71/03/721467103.db2.gz UQRZICDPHRRRBB-YLJYHZDGSA-N 2 0 386.540 2.638 20 0 GFADRP c1ccc(N(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)nc1 ZINC001164959717 722051094 /nfs/dbraw/zinc/05/10/94/722051094.db2.gz NKVHENMURBVEMB-MIZPHKNDSA-N 2 0 393.535 2.978 20 0 GFADRP CN1CCN(c2ncnc3c2CCN(c2ccc(C(C)(C)C)cn2)CC3)CC1 ZINC001165004010 722240018 /nfs/dbraw/zinc/24/00/18/722240018.db2.gz MIYHVRMDXPQLTJ-UHFFFAOYSA-N 2 0 380.540 2.526 20 0 GFADRP COCC1(C[NH2+]Cc2c(Br)cc(OC)cc2OC)CC[NH2+]CC1 ZINC000414978019 563756124 /nfs/dbraw/zinc/75/61/24/563756124.db2.gz SBMZAJNVSVREBQ-UHFFFAOYSA-N 2 0 387.318 2.572 20 0 GFADRP C[C@@H]([NH2+]Cc1ccsc1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000178026079 552162718 /nfs/dbraw/zinc/16/27/18/552162718.db2.gz WKPIRXHGMDOFPX-OAHLLOKOSA-N 2 0 381.567 2.829 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000192820170 552974597 /nfs/dbraw/zinc/97/45/97/552974597.db2.gz HEHCPGDPIYCZBB-MQVJKMGUSA-N 2 0 385.599 2.536 20 0 GFADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000261837933 553160467 /nfs/dbraw/zinc/16/04/67/553160467.db2.gz YHKSLTYILCCMJS-AWEZNQCLSA-N 2 0 382.346 2.948 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422901426 563350093 /nfs/dbraw/zinc/35/00/93/563350093.db2.gz CACHJXGFDACSCF-DYVFJYSZSA-N 2 0 398.345 2.555 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422910509 563350844 /nfs/dbraw/zinc/35/08/44/563350844.db2.gz QVKJDEQIHJMRLQ-GUYCJALGSA-N 2 0 398.345 2.685 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000423453924 563361460 /nfs/dbraw/zinc/36/14/60/563361460.db2.gz LCQAGBZMOSKRTF-XZOAIXRZSA-N 2 0 380.330 2.747 20 0 GFADRP [NH3+]C1(CNC(=O)c2occc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000424024724 563368002 /nfs/dbraw/zinc/36/80/02/563368002.db2.gz XSIWVDCBIFVONQ-UHFFFAOYSA-N 2 0 392.297 2.765 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(F)c1Br ZINC000322367443 563450130 /nfs/dbraw/zinc/45/01/30/563450130.db2.gz CVPHDCHPNQHZEJ-UHFFFAOYSA-N 2 0 388.325 2.934 20 0 GFADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000434881245 563639877 /nfs/dbraw/zinc/63/98/77/563639877.db2.gz TZVSKJSOHRVXPA-ZWKOTPCHSA-N 2 0 381.973 2.906 20 0 GFADRP CC[C@@H](C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000413842238 563707421 /nfs/dbraw/zinc/70/74/21/563707421.db2.gz HSQFQDLEKTUDLE-BBRMVZONSA-N 2 0 397.361 2.868 20 0 GFADRP Brc1cc2c(c(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)c1)OCC2 ZINC000415058509 563758104 /nfs/dbraw/zinc/75/81/04/563758104.db2.gz TVFKIUOLEBZBKU-UHFFFAOYSA-N 2 0 394.357 2.690 20 0 GFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1(C)C ZINC000442874499 563781901 /nfs/dbraw/zinc/78/19/01/563781901.db2.gz MHOQGPFGGOXROP-SFHVURJKSA-N 2 0 380.374 2.922 20 0 GFADRP CSCc1cnc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000293715583 563822311 /nfs/dbraw/zinc/82/23/11/563822311.db2.gz YCZWVLGKLOLFOL-UHFFFAOYSA-N 2 0 377.583 2.703 20 0 GFADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000418021971 563895599 /nfs/dbraw/zinc/89/55/99/563895599.db2.gz KLAAADOMSXQTOV-OAHLLOKOSA-N 2 0 394.317 2.689 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449126841 563907147 /nfs/dbraw/zinc/90/71/47/563907147.db2.gz VYEWWXFISMDKKQ-AWEZNQCLSA-N 2 0 377.330 2.723 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1nc2ccccc2cc1Br ZINC000564309579 564227706 /nfs/dbraw/zinc/22/77/06/564227706.db2.gz GZWDBCVEETWLMV-UHFFFAOYSA-N 2 0 393.329 2.563 20 0 GFADRP CN1CCc2nc(NC(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)sc2C1 ZINC000564889615 564254565 /nfs/dbraw/zinc/25/45/65/564254565.db2.gz CUTHLGNVPGNIHZ-INIZCTEOSA-N 2 0 395.326 2.706 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473917418 564256321 /nfs/dbraw/zinc/25/63/21/564256321.db2.gz XODYOHMDPIBXNJ-AWEZNQCLSA-N 2 0 394.006 2.747 20 0 GFADRP C[C@H](CCc1ccc(I)cc1)[NH2+]CCOCC[NH+](C)C ZINC000479459130 564440765 /nfs/dbraw/zinc/44/07/65/564440765.db2.gz ZRLHKWYTCXQWFN-CQSZACIVSA-N 2 0 390.309 2.780 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1sccc1Br ZINC000572028224 564578140 /nfs/dbraw/zinc/57/81/40/564578140.db2.gz NOSQTMZASCNRTD-ZBINZKHDSA-N 2 0 386.359 2.808 20 0 GFADRP C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)N1CC[NH+](C)CC1 ZINC000527652692 564753169 /nfs/dbraw/zinc/75/31/69/564753169.db2.gz GXWUELGDNUOUNC-LBPRGKRZSA-N 2 0 398.374 2.626 20 0 GFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000581801511 564818574 /nfs/dbraw/zinc/81/85/74/564818574.db2.gz ILVZZJHJUQKZEH-DLTWYDFYSA-N 2 0 385.961 2.677 20 0 GFADRP CN(CCC[N@H+](C)Cc1nc2ccc(Br)cc2o1)CC[NH+](C)C ZINC000463216815 564872713 /nfs/dbraw/zinc/87/27/13/564872713.db2.gz YFXDOVBIFHBXRS-UHFFFAOYSA-N 2 0 383.334 2.906 20 0 GFADRP O=C(CC[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1)N1CC[NH2+]CC1 ZINC000563154066 565057544 /nfs/dbraw/zinc/05/75/44/565057544.db2.gz NSAOETRMXXHOMW-INIZCTEOSA-N 2 0 384.293 2.547 20 0 GFADRP COc1sc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc1Br ZINC000657572587 565110292 /nfs/dbraw/zinc/11/02/92/565110292.db2.gz BVLVFBUGHNUDJG-LBPRGKRZSA-N 2 0 378.380 2.881 20 0 GFADRP CN1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638413019 565194928 /nfs/dbraw/zinc/19/49/28/565194928.db2.gz VYTFNMKQCGIVOU-OTWHNJEPSA-N 2 0 396.373 2.631 20 0 GFADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000662692779 565381946 /nfs/dbraw/zinc/38/19/46/565381946.db2.gz GKYMWWMEXIFMPF-RDTXWAMCSA-N 2 0 382.346 2.860 20 0 GFADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCc2c1cccc2Br ZINC000663955523 565445280 /nfs/dbraw/zinc/44/52/80/565445280.db2.gz QQYMDORKLLKKAA-KRWDZBQOSA-N 2 0 397.361 2.619 20 0 GFADRP C[C@H](CCNc1ncnc(NCC[C@@H](C)[NH+](C)C)c1Br)[NH+](C)C ZINC000664246604 565456675 /nfs/dbraw/zinc/45/66/75/565456675.db2.gz VQPQSUIQVPFXKR-CHWSQXEVSA-N 3 0 387.370 2.743 20 0 GFADRP C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CC[NH+](C)CC1 ZINC000644562895 565482017 /nfs/dbraw/zinc/48/20/17/565482017.db2.gz GILFZUQYRPIQGW-WBMJQRKESA-N 2 0 389.309 2.648 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[NH+](C(C)(C)CO)CC3)c2cc1Br ZINC000644871208 565500392 /nfs/dbraw/zinc/50/03/92/565500392.db2.gz PXKYLGGOPGLPCR-UHFFFAOYSA-N 2 0 394.313 2.899 20 0 GFADRP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C(F)(F)F ZINC000647795182 565676924 /nfs/dbraw/zinc/67/69/24/565676924.db2.gz JLPCNJAJFZUDAL-MGPQQGTHSA-N 2 0 376.444 2.587 20 0 GFADRP Brc1ccc(-c2nnc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)[nH]2)cc1 ZINC000647791448 565676990 /nfs/dbraw/zinc/67/69/90/565676990.db2.gz DGSUKXZNMSSYFB-GZBFAFLISA-N 2 0 376.302 2.712 20 0 GFADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628969815 565816946 /nfs/dbraw/zinc/81/69/46/565816946.db2.gz ZHDYTBHFLDJAGQ-SUMWQHHRSA-N 2 0 388.339 2.681 20 0 GFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ncc(Br)cc3F)c2)CC1 ZINC000631230798 565950074 /nfs/dbraw/zinc/95/00/74/565950074.db2.gz XQMQEYPDLCWZLE-UHFFFAOYSA-N 2 0 380.265 2.742 20 0 GFADRP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690882 606848315 /nfs/dbraw/zinc/84/83/15/606848315.db2.gz WZEGZDSJEFNKEU-OAQYLSRUSA-N 2 0 392.507 2.676 20 0 GFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000824625073 609407812 /nfs/dbraw/zinc/40/78/12/609407812.db2.gz FGFAEZPEAYJFRA-KKSFZXQISA-N 2 0 392.507 2.674 20 0 GFADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000092615762 655014935 /nfs/dbraw/zinc/01/49/35/655014935.db2.gz GWVRLICQCAPJJV-UHFFFAOYSA-N 2 0 378.567 2.761 20 0 GFADRP C(CC[NH+]1CCS[C@H]2COCC[C@@H]21)CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135528829 655019224 /nfs/dbraw/zinc/01/92/24/655019224.db2.gz IIFJSZLWZLEWHD-CADBVGFASA-N 2 0 386.627 2.569 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(Br)ccc1Cl ZINC000103211308 655069099 /nfs/dbraw/zinc/06/90/99/655069099.db2.gz CIQZVYDRJGGKLH-UHFFFAOYSA-N 2 0 376.726 2.668 20 0 GFADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)/C=C/c1ccccc1Cl ZINC000155318709 655083552 /nfs/dbraw/zinc/08/35/52/655083552.db2.gz JBJDSWLNTIJZJW-XNTDXEJSSA-N 2 0 385.961 2.598 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(Cl)cc1Br ZINC000113172959 655204367 /nfs/dbraw/zinc/20/43/67/655204367.db2.gz MDYWDWWXLDLNES-UHFFFAOYSA-N 2 0 390.753 2.597 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000276080346 655261126 /nfs/dbraw/zinc/26/11/26/655261126.db2.gz BEFBSBLRRZFYDD-GOSISDBHSA-N 2 0 397.357 2.963 20 0 GFADRP Brc1ccoc1C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000735323127 655645282 /nfs/dbraw/zinc/64/52/82/655645282.db2.gz RKXQIARXFZGCFU-UHFFFAOYSA-N 2 0 394.317 2.524 20 0 GFADRP C[NH+](C)CCCNC(=S)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000768786062 656251291 /nfs/dbraw/zinc/25/12/91/656251291.db2.gz QQNALUSJWZAPMX-OAHLLOKOSA-N 2 0 376.492 2.724 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780665616 657021597 /nfs/dbraw/zinc/02/15/97/657021597.db2.gz UFUWQKCDRKCDIG-UHFFFAOYSA-N 2 0 377.501 2.518 20 0 GFADRP CSc1nc2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2s1 ZINC000784413114 657307418 /nfs/dbraw/zinc/30/74/18/657307418.db2.gz PLTAUDWRPVVINW-UHFFFAOYSA-N 2 0 381.571 2.975 20 0 GFADRP Cc1cc([C@H]([NH3+])CC(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc(Cl)n1 ZINC000841857534 661316613 /nfs/dbraw/zinc/31/66/13/661316613.db2.gz URFXZJKERHALNY-CYBMUJFWSA-N 2 0 379.917 2.996 20 0 GFADRP [NH3+]CCCCCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000843340837 661378255 /nfs/dbraw/zinc/37/82/55/661378255.db2.gz FSZRVMOFUKGLOY-AWEZNQCLSA-N 2 0 375.332 2.776 20 0 GFADRP Cn1cc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)c(Br)n1 ZINC000865774340 662442790 /nfs/dbraw/zinc/44/27/90/662442790.db2.gz ICQXCDCGSXGIIY-UHFFFAOYSA-N 2 0 377.330 2.936 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000867961505 662589561 /nfs/dbraw/zinc/58/95/61/662589561.db2.gz DQIAKOJCIQOJLA-SJORKVTESA-N 2 0 380.330 2.926 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000867961495 662589569 /nfs/dbraw/zinc/58/95/69/662589569.db2.gz DQIAKOJCIQOJLA-DLBZAZTESA-N 2 0 380.330 2.926 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)COc2c(Cl)cccc2Cl)C[C@H]1C[NH+](C)C ZINC000870024775 662671597 /nfs/dbraw/zinc/67/15/97/662671597.db2.gz SSCWQIFUEPWKEO-ZIAGYGMSSA-N 2 0 388.339 2.570 20 0 GFADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870856655 662703626 /nfs/dbraw/zinc/70/36/26/662703626.db2.gz VCDSEIPXKNRACB-QGZVFWFLSA-N 2 0 376.298 2.827 20 0 GFADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870896614 662707260 /nfs/dbraw/zinc/70/72/60/662707260.db2.gz WWBKCWXIWWTUOZ-RHSMWYFYSA-N 2 0 380.330 2.639 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000870913461 662707917 /nfs/dbraw/zinc/70/79/17/662707917.db2.gz BFVKTPAIBBBYBX-ZOBUZTSGSA-N 2 0 380.330 2.687 20 0 GFADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000872148954 662756684 /nfs/dbraw/zinc/75/66/84/662756684.db2.gz LTYMRYAIBGNWLF-GWCFXTLKSA-N 2 0 394.235 2.847 20 0 GFADRP CC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000873260533 662804623 /nfs/dbraw/zinc/80/46/23/662804623.db2.gz CKSLOQYFJCPRMF-GUSZCTEKSA-N 2 0 385.961 2.819 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873259051 662804637 /nfs/dbraw/zinc/80/46/37/662804637.db2.gz YEHKEGWAPOBGQV-CTYIDZIISA-N 2 0 380.330 2.689 20 0 GFADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876644884 662864165 /nfs/dbraw/zinc/86/41/65/662864165.db2.gz DDJCYMBNHOJKSC-UHFFFAOYSA-N 2 0 380.945 2.840 20 0 GFADRP C[NH+]1CCC2(CCN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)CC2)CC1 ZINC000877191971 662872184 /nfs/dbraw/zinc/87/21/84/662872184.db2.gz FZCDKMDEALYWFE-GOSISDBHSA-N 2 0 394.357 2.957 20 0 GFADRP C[NH+](C)Cc1cc(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)ccc1F ZINC000884220412 663067220 /nfs/dbraw/zinc/06/72/20/663067220.db2.gz RMQNTZWPPRMGQU-QGZVFWFLSA-N 2 0 394.288 2.966 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000884394649 663070216 /nfs/dbraw/zinc/07/02/16/663070216.db2.gz KMQFBSRUEGWXHD-DOTOQJQBSA-N 2 0 380.330 2.687 20 0 GFADRP [NH3+][C@@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccc(Br)cc1 ZINC000884409864 663070314 /nfs/dbraw/zinc/07/03/14/663070314.db2.gz UUANZISPNDJWSG-IAGOWNOFSA-N 2 0 390.281 2.749 20 0 GFADRP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000893317409 663406874 /nfs/dbraw/zinc/40/68/74/663406874.db2.gz GIEQJGQTWCWFBN-UHFFFAOYSA-N 2 0 397.361 2.525 20 0 GFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c(I)cnn1C ZINC000894181075 663447033 /nfs/dbraw/zinc/44/70/33/663447033.db2.gz UKHMWQSCHRBQTH-CYBMUJFWSA-N 2 0 390.313 2.769 20 0 GFADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923280878 664627356 /nfs/dbraw/zinc/62/73/56/664627356.db2.gz LEXRXBWSJPQGOP-WCQYABFASA-N 2 0 377.710 2.513 20 0 GFADRP CC[NH2+]CC1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000923295588 664627700 /nfs/dbraw/zinc/62/77/00/664627700.db2.gz ZBZIJZVPPAOFTB-INIZCTEOSA-N 2 0 389.309 2.649 20 0 GFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923300262 664627825 /nfs/dbraw/zinc/62/78/25/664627825.db2.gz PHXTWBXWJXLYLV-IUODEOHRSA-N 2 0 379.726 2.805 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)C1 ZINC000923390266 664629407 /nfs/dbraw/zinc/62/94/07/664629407.db2.gz WEPKYGMBWTXNPI-HPBDAGMYSA-N 2 0 383.330 2.701 20 0 GFADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999494 664664933 /nfs/dbraw/zinc/66/49/33/664664933.db2.gz JDFLXSADWZPBQP-PBHICJAKSA-N 2 0 394.357 2.790 20 0 GFADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)c(Br)c1 ZINC000925850822 664675884 /nfs/dbraw/zinc/67/58/84/664675884.db2.gz BRMVYWLFELXJIJ-WCQYABFASA-N 2 0 385.277 2.924 20 0 GFADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851901 664675952 /nfs/dbraw/zinc/67/59/52/664675952.db2.gz TUGJSHWNFAOBHU-IUODEOHRSA-N 2 0 399.304 2.794 20 0 GFADRP C[NH+](C)CC1(O)CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000931483057 664796104 /nfs/dbraw/zinc/79/61/04/664796104.db2.gz AKPROMIRINZWMH-UHFFFAOYSA-N 2 0 378.314 2.886 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4c5ccccc5NC(=O)[C@H]4C3)c2)CC1 ZINC001164404004 718859013 /nfs/dbraw/zinc/85/90/13/718859013.db2.gz OCTUFZSWZXTBRS-OALUTQOASA-N 2 0 378.476 2.727 20 0 GFADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2[C@H](C(=O)OCC)C[C@H]3C[NH2+]C[C@H]32)nc1 ZINC001164618176 719018897 /nfs/dbraw/zinc/01/88/97/719018897.db2.gz QLWRDAHHKRTVEH-ZGXWSNOMSA-N 2 0 386.540 2.748 20 0 GFADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cc(C)cc1N)CC2 ZINC001164713032 720132809 /nfs/dbraw/zinc/13/28/09/720132809.db2.gz PDXDLWLSBTWGCH-LJQANCHMSA-N 2 0 381.524 2.875 20 0 GFADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-n4ccnc4)cc[nH+]3)CC[C@@H]21 ZINC001164841476 720628095 /nfs/dbraw/zinc/62/80/95/720628095.db2.gz SFSBNPDVJMDCJX-JBACZVJFSA-N 2 0 391.523 2.842 20 0 GFADRP Cc1[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc2[nH]ccc21 ZINC001164740515 720842836 /nfs/dbraw/zinc/84/28/36/720842836.db2.gz CFIGPSDSGOCRPY-DBXWQHBBSA-N 2 0 391.523 2.842 20 0 GFADRP Nc1cc[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754866 720869027 /nfs/dbraw/zinc/86/90/27/720869027.db2.gz UFFUGCXGFFAYMY-NFBKMPQASA-N 2 0 393.535 2.814 20 0 GFADRP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[N@@H+]3C2)c1 ZINC001164871000 721138598 /nfs/dbraw/zinc/13/85/98/721138598.db2.gz CVYPUTMJCOAHRT-FGZHOGPDSA-N 2 0 393.535 2.552 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)c(Br)cc1F ZINC000133157097 551382350 /nfs/dbraw/zinc/38/23/50/551382350.db2.gz CCTWZSUDSOIXKX-UHFFFAOYSA-N 2 0 393.276 2.684 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000154973327 551487806 /nfs/dbraw/zinc/48/78/06/551487806.db2.gz JUCOERORWDVWER-RHSMWYFYSA-N 2 0 382.346 2.888 20 0 GFADRP Cc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1Br ZINC000179674402 552199906 /nfs/dbraw/zinc/19/99/06/552199906.db2.gz QVANOBGNWWZJNY-UHFFFAOYSA-N 2 0 382.346 2.647 20 0 GFADRP C[C@@H](O)CC[NH+](C)Cc1cc(Br)ccc1C[N@@H+](C)CC[C@@H](C)O ZINC000192073678 552549006 /nfs/dbraw/zinc/54/90/06/552549006.db2.gz AUJKOYUYRVSDBO-HUUCEWRRSA-N 2 0 387.362 2.855 20 0 GFADRP Brc1ccc(-c2nnc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)[nH]2)cc1 ZINC000246491329 553108371 /nfs/dbraw/zinc/10/83/71/553108371.db2.gz RYAZPIJVOGQNLM-CABCVRRESA-N 2 0 376.302 2.951 20 0 GFADRP O=C(N[C@H]1CC[NH2+]C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418360587 563216531 /nfs/dbraw/zinc/21/65/31/563216531.db2.gz GDVKIKOTZUEQIW-HNNXBMFYSA-N 2 0 385.339 2.963 20 0 GFADRP CC[NH+]1CCC(CC[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000370681608 563252635 /nfs/dbraw/zinc/25/26/35/563252635.db2.gz IGQLQPCRLHFQNM-UHFFFAOYSA-N 2 0 385.599 2.613 20 0 GFADRP CN1CCN(C(=O)C2CCN(Cc3cccc(Br)c3F)CC2)CC1 ZINC000295998361 563270612 /nfs/dbraw/zinc/27/06/12/563270612.db2.gz KTUGWZXUTDRBNQ-UHFFFAOYSA-N 2 0 398.320 2.574 20 0 GFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000422903326 563349856 /nfs/dbraw/zinc/34/98/56/563349856.db2.gz FKTABZONPIYRQM-RHSMWYFYSA-N 2 0 382.346 2.775 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422912125 563350829 /nfs/dbraw/zinc/35/08/29/563350829.db2.gz VMJKZMMYBSZFEO-UHFFFAOYSA-N 2 0 398.345 2.685 20 0 GFADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425101293 563405548 /nfs/dbraw/zinc/40/55/48/563405548.db2.gz ZLLCGDOKYBAPFP-ZFWWWQNUSA-N 2 0 397.361 2.583 20 0 GFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432410010 563583594 /nfs/dbraw/zinc/58/35/94/563583594.db2.gz LAOSIQHPVDGRNZ-HJOIGYKYSA-N 2 0 394.357 2.872 20 0 GFADRP C[C@H](Cc1ccc(Br)cc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433130698 563604149 /nfs/dbraw/zinc/60/41/49/563604149.db2.gz SIOMGQJOYFYOSD-CQSZACIVSA-N 2 0 382.346 2.700 20 0 GFADRP CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670643 563749192 /nfs/dbraw/zinc/74/91/92/563749192.db2.gz DKWDPTSVONVENP-INIZCTEOSA-N 2 0 382.346 2.857 20 0 GFADRP C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000414748282 563751718 /nfs/dbraw/zinc/75/17/18/563751718.db2.gz NRTGTUGEWCNLBM-CABCVRRESA-N 2 0 380.330 2.595 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(c3cccc(Br)c3)CC2)C1 ZINC000414739321 563751850 /nfs/dbraw/zinc/75/18/50/563751850.db2.gz CICBYFNRUVPHOX-HNNXBMFYSA-N 2 0 394.357 2.826 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000414739945 563751894 /nfs/dbraw/zinc/75/18/94/563751894.db2.gz CLUISXSJZZXWEN-OAHLLOKOSA-N 2 0 394.357 2.826 20 0 GFADRP OC1(C[NH+]2CCOCC2)CC[NH+](CCCc2ccccc2Br)CC1 ZINC000364914752 563768894 /nfs/dbraw/zinc/76/88/94/563768894.db2.gz GCYPRBJNUYYYFX-UHFFFAOYSA-N 2 0 397.357 2.541 20 0 GFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000367244960 563837941 /nfs/dbraw/zinc/83/79/41/563837941.db2.gz URGDHXJIPHCFJR-OAOYMFHYSA-N 2 0 397.357 2.962 20 0 GFADRP COc1cc(Br)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC ZINC000568883274 564439147 /nfs/dbraw/zinc/43/91/47/564439147.db2.gz VIQHJPPYTNSQPT-QAPCUYQASA-N 2 0 399.329 2.795 20 0 GFADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569095244 564448776 /nfs/dbraw/zinc/44/87/76/564448776.db2.gz OLODMGVCWKHSEO-GLJUWKHASA-N 2 0 385.936 2.683 20 0 GFADRP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000574069972 564666962 /nfs/dbraw/zinc/66/69/62/564666962.db2.gz NQIHYEDPQSVUQP-OKZBNKHCSA-N 2 0 385.961 2.519 20 0 GFADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cncc(Br)c1 ZINC000577231409 564730748 /nfs/dbraw/zinc/73/07/48/564730748.db2.gz JZRYSIUKTBPCHR-CQSZACIVSA-N 2 0 390.329 2.842 20 0 GFADRP Ic1ccc(OCC[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000459550816 564750661 /nfs/dbraw/zinc/75/06/61/564750661.db2.gz YWQQZOHGGFOTPL-UHFFFAOYSA-N 2 0 386.277 2.886 20 0 GFADRP C[C@H]1C[N@H+](CCOc2ccc(Br)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490699963 564780152 /nfs/dbraw/zinc/78/01/52/564780152.db2.gz OMWHIOVQYYGIMW-QFBILLFUSA-N 2 0 396.373 2.786 20 0 GFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000581801512 564818378 /nfs/dbraw/zinc/81/83/78/564818378.db2.gz ILVZZJHJUQKZEH-HWMZRRJGSA-N 2 0 385.961 2.677 20 0 GFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1sccc1Br ZINC000531967888 564926091 /nfs/dbraw/zinc/92/60/91/564926091.db2.gz GSQTUMDDTCKKCH-CQSZACIVSA-N 2 0 390.391 2.551 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636873842 565128805 /nfs/dbraw/zinc/12/88/05/565128805.db2.gz PQVZPNBMXKSFKJ-KRWDZBQOSA-N 2 0 397.361 2.664 20 0 GFADRP Ic1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000592470864 565279005 /nfs/dbraw/zinc/27/90/05/565279005.db2.gz NIDTXTNONBKMNY-UMVBOHGHSA-N 2 0 386.277 2.648 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000663503436 565424450 /nfs/dbraw/zinc/42/44/50/565424450.db2.gz HWCRHQQDLOIYKV-UHFFFAOYSA-N 2 0 386.309 2.668 20 0 GFADRP O=S1(=O)CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cc(Br)ccc21 ZINC000643549148 565435717 /nfs/dbraw/zinc/43/57/17/565435717.db2.gz JARPTPFRVAYERX-NCZKRNLISA-N 2 0 399.354 2.645 20 0 GFADRP Ic1cnc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000595000617 565440768 /nfs/dbraw/zinc/44/07/68/565440768.db2.gz ILFKYSIUVMHYAC-UHFFFAOYSA-N 2 0 391.322 2.959 20 0 GFADRP C[C@@H](C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)[NH+](C)C ZINC000644601121 565484344 /nfs/dbraw/zinc/48/43/44/565484344.db2.gz UOZJXYODOVQIGG-AWEZNQCLSA-N 2 0 382.346 2.822 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000645107901 565512873 /nfs/dbraw/zinc/51/28/73/565512873.db2.gz SGBQAUOEQMJGCT-RPVQJOFSSA-N 2 0 380.330 2.614 20 0 GFADRP C[N@@H+]1CCCC[C@H](CNCc2cn(-c3ccccc3Br)nn2)C1 ZINC000623656971 565523493 /nfs/dbraw/zinc/52/34/93/565523493.db2.gz GZQVPAUJDHJPME-CQSZACIVSA-N 2 0 378.318 2.851 20 0 GFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000626100435 565675436 /nfs/dbraw/zinc/67/54/36/565675436.db2.gz NMQRBOROBZEQFF-KRWDZBQOSA-N 2 0 388.339 2.607 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@H]21 ZINC000629519376 565857493 /nfs/dbraw/zinc/85/74/93/565857493.db2.gz PWSPYQSLGHODSO-MMTVNHQJSA-N 2 0 378.314 2.762 20 0 GFADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(F)cc1Br ZINC000631067668 565938807 /nfs/dbraw/zinc/93/88/07/565938807.db2.gz DVZLPOFHTAGYPD-CQSZACIVSA-N 2 0 389.309 2.923 20 0 GFADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635005405 566187965 /nfs/dbraw/zinc/18/79/65/566187965.db2.gz IQPZMDMTTWWOLT-PBHICJAKSA-N 2 0 378.314 2.549 20 0 GFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000635007655 566188399 /nfs/dbraw/zinc/18/83/99/566188399.db2.gz WXFSZKGNMPXBKJ-WHOFXGATSA-N 2 0 387.343 2.775 20 0 GFADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635005409 566188665 /nfs/dbraw/zinc/18/86/65/566188665.db2.gz IQPZMDMTTWWOLT-WMLDXEAASA-N 2 0 378.314 2.549 20 0 GFADRP CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736536123 598509782 /nfs/dbraw/zinc/50/97/82/598509782.db2.gz DHFPPORRDXEHHT-UHFFFAOYSA-N 2 0 380.496 2.829 20 0 GFADRP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1-c1nn[nH]n1 ZINC000821817906 599399783 /nfs/dbraw/zinc/39/97/83/599399783.db2.gz BDTDVRXXDBXCSX-UHFFFAOYSA-N 2 0 378.480 2.761 20 0 GFADRP Cc1[nH+]ccc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1Cl ZINC000822471446 607018791 /nfs/dbraw/zinc/01/87/91/607018791.db2.gz CALBJJOFTKQMIL-UHFFFAOYSA-N 2 0 383.887 2.936 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)[C@H](C)C1 ZINC000825593765 608512185 /nfs/dbraw/zinc/51/21/85/608512185.db2.gz DBOTUYDMMXFZRL-TYCQWZJGSA-N 2 0 398.555 2.971 20 0 GFADRP COc1cc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)ccc1S(=O)(=O)C(F)F ZINC000817964608 660212431 /nfs/dbraw/zinc/21/24/31/660212431.db2.gz FPPOKOFDYJHTGT-LBPRGKRZSA-N 2 0 376.469 2.732 20 0 GFADRP COc1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1S(=O)(=O)C(F)F ZINC000817961387 660212461 /nfs/dbraw/zinc/21/24/61/660212461.db2.gz XYHWEHUMCITFHU-YUTCNCBUSA-N 2 0 376.469 2.860 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000819083594 660245822 /nfs/dbraw/zinc/24/58/22/660245822.db2.gz BRKYWWWJVAQOBL-RDTXWAMCSA-N 2 0 383.330 2.573 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1cccc(Cl)c1Cl ZINC000077779321 655004434 /nfs/dbraw/zinc/00/44/34/655004434.db2.gz QVIKUJYDQHABDA-UHFFFAOYSA-N 2 0 375.344 2.671 20 0 GFADRP Cc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(Br)c1 ZINC000092615767 655014945 /nfs/dbraw/zinc/01/49/45/655014945.db2.gz LFGLNYZDUCWYBD-UHFFFAOYSA-N 2 0 382.346 2.647 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(F)ccc1Cl ZINC000097549687 655035846 /nfs/dbraw/zinc/03/58/46/655035846.db2.gz RLSSVYRSSVBEDM-HNNXBMFYSA-N 2 0 391.940 2.516 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1Cl ZINC000103212730 655069190 /nfs/dbraw/zinc/06/91/90/655069190.db2.gz KKQTWZBNXNUWJS-UHFFFAOYSA-N 2 0 376.726 2.668 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000104533354 655081918 /nfs/dbraw/zinc/08/19/18/655081918.db2.gz DAUFEMCFDUBBGQ-UHFFFAOYSA-N 2 0 382.302 2.761 20 0 GFADRP C[NH+](C)C[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000113516155 655211610 /nfs/dbraw/zinc/21/16/10/655211610.db2.gz YMEUVBWKKBCBRG-CQSZACIVSA-N 2 0 388.293 2.944 20 0 GFADRP CC(C)C[NH+]1CCC(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261717080 655441872 /nfs/dbraw/zinc/44/18/72/655441872.db2.gz JUZQRKZQKDPYKC-SFHVURJKSA-N 2 0 382.346 2.860 20 0 GFADRP CC(C)C[NH+]1CCC(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261717077 655441883 /nfs/dbraw/zinc/44/18/83/655441883.db2.gz JUZQRKZQKDPYKC-GOSISDBHSA-N 2 0 382.346 2.860 20 0 GFADRP O=C(C[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1)N1CC[NH2+]CC1 ZINC000577839727 655468223 /nfs/dbraw/zinc/46/82/23/655468223.db2.gz MSEZJRKJFVUHSI-INIZCTEOSA-N 2 0 386.721 2.575 20 0 GFADRP C[NH+](C)CC(C)(C)CNC(=S)C(C(=O)c1nccs1)[n+]1ccccc1 ZINC000778083958 656859705 /nfs/dbraw/zinc/85/97/05/656859705.db2.gz LOFMNWKCUBVYOF-UHFFFAOYSA-O 2 0 377.559 2.819 20 0 GFADRP C[N@H+](CC1CC[NH+](C)CC1)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844692427 661433904 /nfs/dbraw/zinc/43/39/04/661433904.db2.gz YXQVULACQWYVJG-UHFFFAOYSA-N 2 0 392.341 2.906 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000845411226 661469552 /nfs/dbraw/zinc/46/95/52/661469552.db2.gz QEIVMLBYVMCTAD-NXHRZFHOSA-N 2 0 376.948 2.749 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cccnc1SC(F)(F)F ZINC000855346035 661987235 /nfs/dbraw/zinc/98/72/35/661987235.db2.gz MCVGLEFHNQHTLZ-LBPRGKRZSA-N 2 0 378.464 2.695 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856950362 662054275 /nfs/dbraw/zinc/05/42/75/662054275.db2.gz ZGUIYYIBDGZNSZ-GJZGRUSLSA-N 2 0 379.376 2.628 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=S)Nc2cccc(Br)c2)C[C@H]1C[NH+](C)C ZINC000865244886 662407503 /nfs/dbraw/zinc/40/75/03/662407503.db2.gz DLWFACQNEGWARX-ZIAGYGMSSA-N 2 0 399.402 2.817 20 0 GFADRP OC1(C[NH2+]Cc2cccnc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000865604520 662431658 /nfs/dbraw/zinc/43/16/58/662431658.db2.gz UVCGLSUMQCEQHA-UHFFFAOYSA-N 2 0 390.325 2.961 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)c1cccs1 ZINC000870854655 662703647 /nfs/dbraw/zinc/70/36/47/662703647.db2.gz QYWWEXJCWJUHMA-HIFRSBDPSA-N 2 0 382.327 2.930 20 0 GFADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870948992 662711288 /nfs/dbraw/zinc/71/12/88/662711288.db2.gz ZLPMAOWULAOVQV-HZPDHXFCSA-N 2 0 380.330 2.686 20 0 GFADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2C[C@]2(C)Br)CC1 ZINC000891786920 663350358 /nfs/dbraw/zinc/35/03/58/663350358.db2.gz PPLAILRFKIJYBF-YJBOKZPZSA-N 2 0 388.394 2.576 20 0 GFADRP C[C@@H]1C[C@H](CC[NH2+]Cc2nc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000894360377 663457615 /nfs/dbraw/zinc/45/76/15/663457615.db2.gz ZXCBCZAMMYSEGZ-ZBFHGGJFSA-N 2 0 392.345 2.968 20 0 GFADRP Brc1cccc(C2([NH2+]C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCOCC2)c1 ZINC000903733574 663805544 /nfs/dbraw/zinc/80/55/44/663805544.db2.gz NXDLXJSWBFBAOW-ROUUACIJSA-N 2 0 395.341 2.813 20 0 GFADRP COc1ccc(Br)cc1C1([NH2+]C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903764451 663806169 /nfs/dbraw/zinc/80/61/69/663806169.db2.gz RXLWFLHJMWDXMD-PBHICJAKSA-N 2 0 381.314 2.805 20 0 GFADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903923036 663812051 /nfs/dbraw/zinc/81/20/51/663812051.db2.gz KASBQEAEECSEMY-OCCSQVGLSA-N 2 0 396.308 2.825 20 0 GFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923288471 664627424 /nfs/dbraw/zinc/62/74/24/664627424.db2.gz KEOKWXQLVJLAMI-OBJOEFQTSA-N 2 0 391.737 2.901 20 0 GFADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923300261 664627793 /nfs/dbraw/zinc/62/77/93/664627793.db2.gz PHXTWBXWJXLYLV-DOMZBBRYSA-N 2 0 379.726 2.805 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923361706 664628917 /nfs/dbraw/zinc/62/89/17/664628917.db2.gz KZLGFJNBMXQZBG-LESCRADOSA-N 2 0 389.323 2.561 20 0 GFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@@H](O)c3cccc(Br)c3)CC2)C1 ZINC000923380172 664629215 /nfs/dbraw/zinc/62/92/15/664629215.db2.gz VYDHTAFZVLPDAU-KZNAEPCWSA-N 2 0 383.330 2.701 20 0 GFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924965446 664664438 /nfs/dbraw/zinc/66/44/38/664664438.db2.gz IHSSCADVXYITIY-QGZVFWFLSA-N 2 0 381.362 2.839 20 0 GFADRP COCCC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000925810494 664675260 /nfs/dbraw/zinc/67/52/60/664675260.db2.gz AESZALBLDYKIAC-SFHVURJKSA-N 2 0 384.362 2.930 20 0 GFADRP Cc1[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc2[nH]ccc21 ZINC001164740517 720843339 /nfs/dbraw/zinc/84/33/39/720843339.db2.gz CFIGPSDSGOCRPY-LVCYWYKZSA-N 2 0 391.523 2.842 20 0 GFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CC(C(=O)NC5CCC5)C[C@H]4C3)c2)CC1 ZINC001164970032 722086005 /nfs/dbraw/zinc/08/60/05/722086005.db2.gz BUPIMUMFJDTPLF-ROUUACIJSA-N 2 0 398.551 2.686 20 0 GFADRP C[C@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000127706587 551343552 /nfs/dbraw/zinc/34/35/52/551343552.db2.gz RYGUEVBKQSDDJT-RHSMWYFYSA-N 2 0 382.346 2.888 20 0 GFADRP C[C@H](C[NH2+][C@@H](C)c1ccc(I)cc1)N1CC[NH+](C)CC1 ZINC000127735399 551344268 /nfs/dbraw/zinc/34/42/68/551344268.db2.gz KPGBBJKYYJAYOJ-KGLIPLIRSA-N 2 0 387.309 2.578 20 0 GFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000156396865 551521715 /nfs/dbraw/zinc/52/17/15/551521715.db2.gz PDWRTZGPBCVFKA-RHSMWYFYSA-N 2 0 382.346 2.889 20 0 GFADRP O=C(NCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000166450069 551632053 /nfs/dbraw/zinc/63/20/53/551632053.db2.gz AMFIEPLZTPHHJU-IAGOWNOFSA-N 2 0 380.330 2.785 20 0 GFADRP C[NH+](Cc1cc(Br)ccc1C[N@@H+](C)CC(C)(C)O)CC(C)(C)O ZINC000192073347 552549108 /nfs/dbraw/zinc/54/91/08/552549108.db2.gz UWUWDQCEFIBIRC-UHFFFAOYSA-N 2 0 387.362 2.855 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]CCOc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000422943063 563351466 /nfs/dbraw/zinc/35/14/66/563351466.db2.gz JUMHOEYMVRFJIJ-AWEZNQCLSA-N 2 0 399.329 2.739 20 0 GFADRP FC(F)(F)[C@H](C[NH2+][C@H]1CCc2cc(Br)ccc21)N1CC[NH2+]CC1 ZINC000423384229 563360160 /nfs/dbraw/zinc/36/01/60/563360160.db2.gz KATRZPRCDLJNDF-GJZGRUSLSA-N 2 0 392.263 2.862 20 0 GFADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)s1 ZINC000423391053 563360189 /nfs/dbraw/zinc/36/01/89/563360189.db2.gz PCSLNQVPVDXQCU-KOLCDFICSA-N 2 0 386.281 2.997 20 0 GFADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCc2ccc(Br)cc21)N1CC[NH2+]CC1 ZINC000423403293 563360419 /nfs/dbraw/zinc/36/04/19/563360419.db2.gz XIIDDSVSHPDGKN-CABCVRRESA-N 2 0 392.263 2.862 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000423453923 563361521 /nfs/dbraw/zinc/36/15/21/563361521.db2.gz LCQAGBZMOSKRTF-NJAPINKUSA-N 2 0 380.330 2.747 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424386349 563377315 /nfs/dbraw/zinc/37/73/15/563377315.db2.gz XJGBVVSKGGXAEI-CUOATXAZSA-N 2 0 394.684 2.787 20 0 GFADRP COc1cc2[nH+]ccc(N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)c2cc1Br ZINC000425270558 563416294 /nfs/dbraw/zinc/41/62/94/563416294.db2.gz SWOWTXUOPVLROF-BETUJISGSA-N 2 0 394.313 2.897 20 0 GFADRP COC(=O)[C@@H]1C[N@H+](CCc2cncn2C)C[C@H]1c1ccc(Br)cc1 ZINC000425519980 563426681 /nfs/dbraw/zinc/42/66/81/563426681.db2.gz QBVMHICCDCCHSP-DLBZAZTESA-N 2 0 392.297 2.614 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000433134848 563604016 /nfs/dbraw/zinc/60/40/16/563604016.db2.gz RWAKXWZTEGWHAE-KRWDZBQOSA-N 2 0 380.330 2.756 20 0 GFADRP O=C1CC[C@@H]([NH2+][C@H]2CCc3sc(Br)cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000333305320 563627149 /nfs/dbraw/zinc/62/71/49/563627149.db2.gz QTIWEFFXQNPSRT-AHIWAGSCSA-N 2 0 398.370 2.734 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000414713186 563751147 /nfs/dbraw/zinc/75/11/47/563751147.db2.gz TWYIGZZXWWEZNY-AWEZNQCLSA-N 2 0 380.330 2.615 20 0 GFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)CC[NH2+]1 ZINC000414759591 563752624 /nfs/dbraw/zinc/75/26/24/563752624.db2.gz FHUNRUYHZVZTGA-KBPBESRZSA-N 2 0 378.318 2.850 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]CC2(c3cccc(Br)c3)CCC2)C1 ZINC000415084374 563758877 /nfs/dbraw/zinc/75/88/77/563758877.db2.gz RCIKYNUUDYOICU-HNNXBMFYSA-N 2 0 394.357 2.658 20 0 GFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000367247367 563837781 /nfs/dbraw/zinc/83/77/81/563837781.db2.gz URGDHXJIPHCFJR-DQEVTTJGSA-N 2 0 397.357 2.962 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000449680709 564195899 /nfs/dbraw/zinc/19/58/99/564195899.db2.gz KMZYWNODBHKQHV-DAYGRLMNSA-N 2 0 399.373 2.929 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000451981270 564375085 /nfs/dbraw/zinc/37/50/85/564375085.db2.gz ISGVGGULRVTATG-UHFFFAOYSA-N 2 0 387.355 2.938 20 0 GFADRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc(Br)cc1F ZINC000567889745 564394360 /nfs/dbraw/zinc/39/43/60/564394360.db2.gz QFAACUODQTYNFG-KRWDZBQOSA-N 2 0 384.293 2.992 20 0 GFADRP COc1c(Br)cccc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000479438431 564439995 /nfs/dbraw/zinc/43/99/95/564439995.db2.gz NGIAUQGPAGZRGK-UHFFFAOYSA-N 2 0 384.362 2.963 20 0 GFADRP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000479691771 564447617 /nfs/dbraw/zinc/44/76/17/564447617.db2.gz LZDSCACRTWAVJX-OAHLLOKOSA-N 2 0 395.345 2.884 20 0 GFADRP Cc1c([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000514667446 564453233 /nfs/dbraw/zinc/45/32/33/564453233.db2.gz PJWMIQFPWMOISQ-GFCCVEGCSA-N 2 0 376.302 2.909 20 0 GFADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000569363994 564460860 /nfs/dbraw/zinc/46/08/60/564460860.db2.gz VHYZXJJEBOFSDK-PBHICJAKSA-N 2 0 394.357 2.948 20 0 GFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752939 564609436 /nfs/dbraw/zinc/60/94/36/564609436.db2.gz PAJUVOREHAHMHE-ZBFHGGJFSA-N 2 0 391.339 2.824 20 0 GFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccc(Br)cc3)C2)CC1 ZINC000524751293 564686229 /nfs/dbraw/zinc/68/62/29/564686229.db2.gz NHPOKNYGHWILHK-SFHVURJKSA-N 2 0 396.373 2.928 20 0 GFADRP CC[NH2+]CC1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000576943757 564721898 /nfs/dbraw/zinc/72/18/98/564721898.db2.gz VJXMXJUKHKMSQN-QGZVFWFLSA-N 2 0 380.330 2.876 20 0 GFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1(C)C ZINC000555586894 564798388 /nfs/dbraw/zinc/79/83/88/564798388.db2.gz JXWINBWPZCLZBI-INIZCTEOSA-N 2 0 380.374 2.922 20 0 GFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581484242 564804175 /nfs/dbraw/zinc/80/41/75/564804175.db2.gz YSNNJXJJVIMYJA-CZUORRHYSA-N 2 0 389.309 2.649 20 0 GFADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000493977709 564815186 /nfs/dbraw/zinc/81/51/86/564815186.db2.gz PBPUFQFTVRRIRD-HJOIGYKYSA-N 2 0 394.357 2.872 20 0 GFADRP Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)ccc1Br ZINC000582546919 564850848 /nfs/dbraw/zinc/85/08/48/564850848.db2.gz SXATWVKOTBQQSX-KRWDZBQOSA-N 2 0 380.330 2.716 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1SCCc2sccc21 ZINC000463627260 564885191 /nfs/dbraw/zinc/88/51/91/564885191.db2.gz JGDAMDVTAQSPNH-CRAIPNDOSA-N 2 0 381.611 2.953 20 0 GFADRP C[C@H]1C[C@@H](N(C)C(=O)NCc2cn3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000465733999 564931584 /nfs/dbraw/zinc/93/15/84/564931584.db2.gz ZEFWYSOVCHUBHR-WFASDCNBSA-N 2 0 394.317 2.721 20 0 GFADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000469178060 565008379 /nfs/dbraw/zinc/00/83/79/565008379.db2.gz YWMPVGGKBOCUEM-UHFFFAOYSA-N 2 0 382.551 2.772 20 0 GFADRP C[C@H](Cc1ccc(Br)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000536561560 565041035 /nfs/dbraw/zinc/04/10/35/565041035.db2.gz CYEJAXKNESCQJL-OAHLLOKOSA-N 2 0 384.362 2.580 20 0 GFADRP Cn1ncc(Br)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613943 565112568 /nfs/dbraw/zinc/11/25/68/565112568.db2.gz YBDNIYODFYJPRF-UHFFFAOYSA-N 2 0 378.318 2.579 20 0 GFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3nc4cc(Br)ccc4o3)C2)CC1 ZINC000638587176 565203043 /nfs/dbraw/zinc/20/30/43/565203043.db2.gz BFEOJDIKEAWWPF-CQSZACIVSA-N 2 0 393.329 2.848 20 0 GFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638620463 565205808 /nfs/dbraw/zinc/20/58/08/565205808.db2.gz RGNBHLNQMBLXOQ-AWEZNQCLSA-N 2 0 382.302 2.917 20 0 GFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000638635888 565206016 /nfs/dbraw/zinc/20/60/16/565206016.db2.gz WHDJXISZILUMJG-INIZCTEOSA-N 2 0 396.373 2.853 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)[C@@H](N)c1ccccc1Br)c1cccs1 ZINC000662347514 565362050 /nfs/dbraw/zinc/36/20/50/565362050.db2.gz GMGCOWHQMILMFP-HIFRSBDPSA-N 2 0 382.327 2.930 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000662589022 565378131 /nfs/dbraw/zinc/37/81/31/565378131.db2.gz XXYOEFQTZXPKIR-KXBFYZLASA-N 2 0 394.357 2.861 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000662589018 565378686 /nfs/dbraw/zinc/37/86/86/565378686.db2.gz XXYOEFQTZXPKIR-BEFAXECRSA-N 2 0 394.357 2.861 20 0 GFADRP Cc1nc(C)c(Br)c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000663747335 565433919 /nfs/dbraw/zinc/43/39/19/565433919.db2.gz HKVQUBPANFDHTO-XYPWUTKMSA-N 2 0 394.361 2.603 20 0 GFADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632304 565486325 /nfs/dbraw/zinc/48/63/25/565486325.db2.gz WIYPOGKDEVDGBV-GJZGRUSLSA-N 2 0 391.339 2.824 20 0 GFADRP CC(C)(C[NH2+]C[C@H](O)COc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000644631943 565486714 /nfs/dbraw/zinc/48/67/14/565486714.db2.gz GSHWRVTXXMIUFS-INIZCTEOSA-N 2 0 385.346 2.900 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000623401040 565508187 /nfs/dbraw/zinc/50/81/87/565508187.db2.gz OZMQDWLQMWILJD-OAHLLOKOSA-N 2 0 387.615 2.784 20 0 GFADRP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000623889798 565533714 /nfs/dbraw/zinc/53/37/14/565533714.db2.gz WIORDQAWCGRRFV-STQMWFEESA-N 2 0 378.870 2.910 20 0 GFADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000645746562 565558424 /nfs/dbraw/zinc/55/84/24/565558424.db2.gz VGITVNQDTDQTMI-OAHLLOKOSA-N 2 0 388.339 2.652 20 0 GFADRP CC(C)N1CC[NH+](C2CCN(Cc3ccncc3Br)CC2)CC1 ZINC000625277247 565614827 /nfs/dbraw/zinc/61/48/27/565614827.db2.gz QQHLADLZGZHOSI-UHFFFAOYSA-N 2 0 381.362 2.835 20 0 GFADRP Cc1cc(Br)c(F)c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000625523122 565635006 /nfs/dbraw/zinc/63/50/06/565635006.db2.gz YSXYSMCNBJCDNA-CYBMUJFWSA-N 2 0 398.320 2.795 20 0 GFADRP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2=O)ccc1Br ZINC000647795347 565677046 /nfs/dbraw/zinc/67/70/46/565677046.db2.gz NZKBVMJBFGXMBC-FSZRXZPDSA-N 2 0 392.341 2.841 20 0 GFADRP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629531842 565857712 /nfs/dbraw/zinc/85/77/12/565857712.db2.gz ABDXPUJOWGXKMP-JKIFEVAISA-N 2 0 378.314 2.634 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000652346047 565923065 /nfs/dbraw/zinc/92/30/65/565923065.db2.gz RWVUMEHJHULPSR-UNEWFSDZSA-N 2 0 396.329 2.606 20 0 GFADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351611 565923527 /nfs/dbraw/zinc/92/35/27/565923527.db2.gz KXIPBOABBJHOEU-ALKREAHSSA-N 2 0 394.357 2.857 20 0 GFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000655804452 566089731 /nfs/dbraw/zinc/08/97/31/566089731.db2.gz YZOSVJXYJBPNHN-GARJFASQSA-N 2 0 380.341 2.632 20 0 GFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000655804454 566090151 /nfs/dbraw/zinc/09/01/51/566090151.db2.gz YZOSVJXYJBPNHN-MXWKQRLJSA-N 2 0 380.341 2.632 20 0 GFADRP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000737639011 598315107 /nfs/dbraw/zinc/31/51/07/598315107.db2.gz MIUSDMZUGUFHOW-UHFFFAOYSA-N 2 0 396.470 2.770 20 0 GFADRP COc1ccc(C[N@@H+]2CC[C@H](CNc3cc(C)ccn3)C2)cc1-c1nn[nH]n1 ZINC000826194619 607499391 /nfs/dbraw/zinc/49/93/91/607499391.db2.gz QVLVXXVCZGHPKY-MRXNPFEDSA-N 2 0 379.468 2.513 20 0 GFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576507 660201200 /nfs/dbraw/zinc/20/12/00/660201200.db2.gz SUIGDTVKARBHFE-IUODEOHRSA-N 2 0 387.391 2.972 20 0 GFADRP C[NH+](C)CCN1CCC([NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576073 660201225 /nfs/dbraw/zinc/20/12/25/660201225.db2.gz MVEHOQAZMXQXFP-OAHLLOKOSA-N 2 0 387.391 2.972 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000817896731 660211670 /nfs/dbraw/zinc/21/16/70/660211670.db2.gz QQENIVYVHVLCJS-BLLLJJGKSA-N 2 0 389.323 2.938 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)COC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000827459132 660497561 /nfs/dbraw/zinc/49/75/61/660497561.db2.gz GPVFIXQWPDLGDI-KRWDZBQOSA-N 2 0 388.339 2.823 20 0 GFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2nc(Br)cs2)CC1 ZINC000834566509 660825065 /nfs/dbraw/zinc/82/50/65/660825065.db2.gz OAGPPLYSOXKFPY-CHWSQXEVSA-N 2 0 375.380 2.830 20 0 GFADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122341933 654734767 /nfs/dbraw/zinc/73/47/67/654734767.db2.gz JWONHXXDSLJHTG-AWEZNQCLSA-N 2 0 381.318 2.764 20 0 GFADRP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1Br ZINC000127944479 654838080 /nfs/dbraw/zinc/83/80/80/654838080.db2.gz JNOOPSDXIIMSOR-HIFRSBDPSA-N 2 0 398.345 2.696 20 0 GFADRP C[C@H](C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000092615845 655014883 /nfs/dbraw/zinc/01/48/83/655014883.db2.gz GWGIDTDRSUZLSQ-OAHLLOKOSA-N 2 0 396.373 2.942 20 0 GFADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)s1 ZINC000119392689 655302509 /nfs/dbraw/zinc/30/25/09/655302509.db2.gz CTMDWHRJRUDVBA-HNNXBMFYSA-N 2 0 387.615 2.641 20 0 GFADRP COCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000575040379 655434553 /nfs/dbraw/zinc/43/45/53/655434553.db2.gz VVJLAIHYHVFOHO-INIZCTEOSA-N 2 0 391.339 2.824 20 0 GFADRP CO[C@H](C[NH3+])CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000576034475 655442311 /nfs/dbraw/zinc/44/23/11/655442311.db2.gz UPZLEMGDJFIYRI-AWEZNQCLSA-N 2 0 376.328 2.638 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccccc2I)CC1 ZINC000843124519 661370351 /nfs/dbraw/zinc/37/03/51/661370351.db2.gz BVVWMXQDPBDYAY-CVEARBPZSA-N 2 0 386.277 2.619 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000856950363 662054447 /nfs/dbraw/zinc/05/44/47/662054447.db2.gz ZGUIYYIBDGZNSZ-HUUCEWRRSA-N 2 0 379.376 2.628 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000867961502 662589537 /nfs/dbraw/zinc/58/95/37/662589537.db2.gz DQIAKOJCIQOJLA-IRXDYDNUSA-N 2 0 380.330 2.926 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000870913458 662707877 /nfs/dbraw/zinc/70/78/77/662707877.db2.gz BFVKTPAIBBBYBX-UXLLHSPISA-N 2 0 380.330 2.687 20 0 GFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2c(I)cnn2C)CC1 ZINC000895445258 663514533 /nfs/dbraw/zinc/51/45/33/663514533.db2.gz FGCNPEAURHRJEN-UHFFFAOYSA-N 2 0 390.313 2.625 20 0 GFADRP Brc1ccc(C2(c3nc([C@@H]4CCC[NH2+]4)no3)CC[NH2+]CC2)cc1 ZINC000900010166 663706319 /nfs/dbraw/zinc/70/63/19/663706319.db2.gz PBJDFDCBHBUOCE-AWEZNQCLSA-N 2 0 377.286 2.926 20 0 GFADRP Brc1ccc(OCCCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000903751069 663805966 /nfs/dbraw/zinc/80/59/66/663805966.db2.gz DMFDDQKERFEALW-KRWDZBQOSA-N 2 0 382.346 2.588 20 0 GFADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903923035 663811666 /nfs/dbraw/zinc/81/16/66/663811666.db2.gz KASBQEAEECSEMY-JSGCOSHPSA-N 2 0 396.308 2.825 20 0 GFADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H](C)Cc2ccc(F)c(Br)c2)cnn1C ZINC000903923476 663812093 /nfs/dbraw/zinc/81/20/93/663812093.db2.gz VEIIPDSJPRGGOV-DOMZBBRYSA-N 2 0 397.336 2.968 20 0 GFADRP Cc1nc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)sc1Br ZINC000921686051 664560760 /nfs/dbraw/zinc/56/07/60/664560760.db2.gz FDZGTMWHUFQMAV-UHFFFAOYSA-N 2 0 375.380 2.577 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923361283 664628912 /nfs/dbraw/zinc/62/89/12/664628912.db2.gz HXDSGZRGGGBBFG-XYPHTWIQSA-N 2 0 389.323 2.561 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000923445010 664630579 /nfs/dbraw/zinc/63/05/79/664630579.db2.gz WREWUQBLXXRENG-UONOGXRCSA-N 2 0 389.323 2.563 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924662569 664659384 /nfs/dbraw/zinc/65/93/84/664659384.db2.gz RMTZTOHPIMILNB-KRWDZBQOSA-N 2 0 381.362 2.839 20 0 GFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCCc4ncc(Br)cc43)C2)CC1 ZINC000925041545 664665808 /nfs/dbraw/zinc/66/58/08/664665808.db2.gz PHZMSASGGJAOTA-BEFAXECRSA-N 2 0 393.373 2.980 20 0 GFADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164721695 720360694 /nfs/dbraw/zinc/36/06/94/720360694.db2.gz DARYETJQVZBVEJ-RBUKOAKNSA-N 2 0 398.942 2.845 20 0 GFADRP c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164739051 720593355 /nfs/dbraw/zinc/59/33/55/720593355.db2.gz DNXBFNNIRTZBAF-UHFFFAOYSA-N 2 0 380.540 2.532 20 0 GFADRP Cc1[nH+]c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)cc2[nH]ccc21 ZINC001164889542 721429166 /nfs/dbraw/zinc/42/91/66/721429166.db2.gz BMGYMCLOYRVAKP-PGRDOPGGSA-N 2 0 383.540 2.637 20 0 GFADRP COc1ccc2c(cc[nH+]c2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1 ZINC001165011939 721732598 /nfs/dbraw/zinc/73/25/98/721732598.db2.gz YLJLFRWHASQUHA-UHFFFAOYSA-N 2 0 382.508 2.766 20 0 GFADRP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982061 722124218 /nfs/dbraw/zinc/12/42/18/722124218.db2.gz VUMFNNHCPNPIFD-TZIWHRDSSA-N 2 0 382.508 2.991 20 0 GFADRP CCC[NH+](CCC)CCCC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000359962263 212127442 /nfs/dbraw/zinc/12/74/42/212127442.db2.gz UOWYRWZLIMEDHN-UHFFFAOYSA-N 2 0 380.621 2.765 20 0 GFADRP C[C@@H](NCC(=O)NCC(C)(C)N1CCOCC1)c1cccc(Cl)c1Cl ZINC000183756933 552318720 /nfs/dbraw/zinc/31/87/20/552318720.db2.gz AAHSYSMMNKMIBA-CYBMUJFWSA-N 2 0 388.339 2.871 20 0 GFADRP Brc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(N2CCOCC2)c1 ZINC000188694656 552452611 /nfs/dbraw/zinc/45/26/11/552452611.db2.gz IDAQNIGCUAYOQC-HNNXBMFYSA-N 2 0 394.357 2.860 20 0 GFADRP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000193474310 552994522 /nfs/dbraw/zinc/99/45/22/552994522.db2.gz MJKUXDQOEUTHCY-OAHLLOKOSA-N 2 0 395.345 2.981 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000261757125 553158438 /nfs/dbraw/zinc/15/84/38/553158438.db2.gz NDJYPMOGINOCBZ-FUHWJXTLSA-N 2 0 380.330 2.710 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000261773299 553158779 /nfs/dbraw/zinc/15/87/79/553158779.db2.gz ONQJJIKXGUBIPS-LJQANCHMSA-N 2 0 394.357 2.957 20 0 GFADRP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261972599 553163484 /nfs/dbraw/zinc/16/34/84/553163484.db2.gz ZFIMLKAUTZBPNZ-RDJZCZTQSA-N 2 0 380.330 2.529 20 0 GFADRP O=C(CC[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000262079823 553165222 /nfs/dbraw/zinc/16/52/22/553165222.db2.gz KPMFRONTHLQAEX-OAHLLOKOSA-N 2 0 386.323 2.659 20 0 GFADRP CC(C)C[C@H](C[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418450094 563217873 /nfs/dbraw/zinc/21/78/73/563217873.db2.gz UMRUIMFBZPRXOF-QGZVFWFLSA-N 2 0 399.377 2.896 20 0 GFADRP Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422700745 563348575 /nfs/dbraw/zinc/34/85/75/563348575.db2.gz ANABCTZMIQJLIO-JCHJZTRSSA-N 2 0 394.357 2.775 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422878851 563349964 /nfs/dbraw/zinc/34/99/64/563349964.db2.gz KVYXPDWEPVPGNK-WBAXXEDZSA-N 2 0 397.357 2.839 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422901427 563349996 /nfs/dbraw/zinc/34/99/96/563349996.db2.gz CACHJXGFDACSCF-GUYCJALGSA-N 2 0 398.345 2.555 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2nc(C(F)(F)F)cs2)CC[NH2+]CC1 ZINC000422807025 563350108 /nfs/dbraw/zinc/35/01/08/563350108.db2.gz LPGYFEIGOJBTCZ-NSHDSACASA-N 2 0 379.448 2.615 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422906807 563350897 /nfs/dbraw/zinc/35/08/97/563350897.db2.gz KKVSCRCJXXRDOW-YOEHRIQHSA-N 2 0 382.346 2.905 20 0 GFADRP Brc1cccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423089830 563354611 /nfs/dbraw/zinc/35/46/11/563354611.db2.gz TUKMAGDYFYRIEA-WZGPROSRSA-N 2 0 394.357 2.775 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCc2ccc(Br)cc21)N1CC[NH2+]CC1 ZINC000423403296 563360241 /nfs/dbraw/zinc/36/02/41/563360241.db2.gz XIIDDSVSHPDGKN-HUUCEWRRSA-N 2 0 392.263 2.862 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCCOc2c(Cl)cccc21)N1CC[NH2+]CC1 ZINC000423394862 563360415 /nfs/dbraw/zinc/36/04/15/563360415.db2.gz SFNGIJHGGCKGKG-HUUCEWRRSA-N 2 0 377.838 2.979 20 0 GFADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Br ZINC000423383561 563360641 /nfs/dbraw/zinc/36/06/41/563360641.db2.gz JNFHVCSJBYOZNT-BXUZGUMPSA-N 2 0 380.252 2.936 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423469248 563361272 /nfs/dbraw/zinc/36/12/72/563361272.db2.gz YTQWCALEMAMISM-XZOAIXRZSA-N 2 0 380.330 2.747 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[NH+](CCCO)CC3)c2cc1Br ZINC000425217072 563411813 /nfs/dbraw/zinc/41/18/13/563411813.db2.gz ADNGNTBSMBHODR-UHFFFAOYSA-N 2 0 380.286 2.510 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[NH+](C[C@H](C)O)CC3)c2cc1Br ZINC000425235022 563414103 /nfs/dbraw/zinc/41/41/03/563414103.db2.gz CVQPPVASMLQBJO-LBPRGKRZSA-N 2 0 380.286 2.509 20 0 GFADRP C[C@@H](NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000431016254 563551684 /nfs/dbraw/zinc/55/16/84/563551684.db2.gz ZGESLCMUPKXPHW-CQSZACIVSA-N 2 0 380.330 2.702 20 0 GFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000411715881 563631000 /nfs/dbraw/zinc/63/10/00/563631000.db2.gz DMYIGPKOTABXSO-QGZVFWFLSA-N 2 0 388.339 2.607 20 0 GFADRP CC[N@H+](CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)CCC(F)(F)F ZINC000412283576 563652528 /nfs/dbraw/zinc/65/25/28/563652528.db2.gz IIJBJUCXKXDMOQ-HNNXBMFYSA-N 2 0 381.508 2.594 20 0 GFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414282555 563724632 /nfs/dbraw/zinc/72/46/32/563724632.db2.gz HQOQEQMQSGYJIH-GASCZTMLSA-N 2 0 387.977 2.835 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000414695418 563750315 /nfs/dbraw/zinc/75/03/15/563750315.db2.gz AOFNMNTWZFYMAR-CQSZACIVSA-N 2 0 380.330 2.615 20 0 GFADRP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414827232 563753987 /nfs/dbraw/zinc/75/39/87/563753987.db2.gz GYMKFRFGLITTAX-CQSZACIVSA-N 2 0 399.329 2.789 20 0 GFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc(Br)cc3F)C2)C1 ZINC000366554498 563813784 /nfs/dbraw/zinc/81/37/84/563813784.db2.gz MEQWMZGRWXFAAN-KRWDZBQOSA-N 2 0 384.293 2.944 20 0 GFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000367247370 563838042 /nfs/dbraw/zinc/83/80/42/563838042.db2.gz URGDHXJIPHCFJR-ZWQIFLOQSA-N 2 0 397.357 2.962 20 0 GFADRP COc1cc(Br)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000368074865 563863392 /nfs/dbraw/zinc/86/33/92/563863392.db2.gz KCCKRIKZZSJAIL-QAPCUYQASA-N 2 0 396.373 2.916 20 0 GFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(I)cc1 ZINC000449148056 563907454 /nfs/dbraw/zinc/90/74/54/563907454.db2.gz IVJGIROQWAIOIY-INIZCTEOSA-N 2 0 388.293 2.618 20 0 GFADRP Ic1cccc(OCCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000564973711 564261306 /nfs/dbraw/zinc/26/13/06/564261306.db2.gz YBIKUDBOCAOTTK-MRXNPFEDSA-N 2 0 386.277 2.746 20 0 GFADRP C[N@H+](C[C@H](O)COc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512542105 564404878 /nfs/dbraw/zinc/40/48/78/564404878.db2.gz KPROFMMARLXJCE-WFVVYAPDSA-N 2 0 383.330 2.746 20 0 GFADRP C[NH+](C)[C@]1(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCSC1 ZINC000481232507 564506840 /nfs/dbraw/zinc/50/68/40/564506840.db2.gz NTPKZQJBNBTTOS-YJBOKZPZSA-N 2 0 382.599 2.622 20 0 GFADRP Cc1cc(Br)cn2cc(CNC(=O)N(C)C[C@@H]3CCC[N@@H+]3C)nc12 ZINC000571156119 564538030 /nfs/dbraw/zinc/53/80/30/564538030.db2.gz YIRWLPBCLVNJFE-HNNXBMFYSA-N 2 0 394.317 2.641 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)C[C@H]21 ZINC000573685259 564650046 /nfs/dbraw/zinc/65/00/46/564650046.db2.gz ZMPGTZFLJDPEAG-UXIGCNINSA-N 2 0 384.293 2.976 20 0 GFADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000577879302 564738432 /nfs/dbraw/zinc/73/84/32/564738432.db2.gz UJBPNTJJONGRQM-ZDUSSCGKSA-N 2 0 398.345 2.709 20 0 GFADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685730 564756886 /nfs/dbraw/zinc/75/68/86/564756886.db2.gz BEYLLRRBRKRASV-BMGDILEWSA-N 2 0 385.321 2.956 20 0 GFADRP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581667371 564813988 /nfs/dbraw/zinc/81/39/88/564813988.db2.gz JJOIXBQPHGAZPT-ZBFHGGJFSA-N 2 0 380.330 2.654 20 0 GFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000556889685 564844674 /nfs/dbraw/zinc/84/46/74/564844674.db2.gz PSFKGAZCPOXYTJ-MRXNPFEDSA-N 2 0 396.373 2.962 20 0 GFADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657870731 565134977 /nfs/dbraw/zinc/13/49/77/565134977.db2.gz FFXCDGRJLHEWMC-AEFFLSMTSA-N 2 0 396.373 2.947 20 0 GFADRP CN1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638682104 565206988 /nfs/dbraw/zinc/20/69/88/565206988.db2.gz QKYGCMOGZQCURH-QZTJIDSGSA-N 2 0 396.373 2.631 20 0 GFADRP C[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]1CCC[NH3+] ZINC000662313471 565360302 /nfs/dbraw/zinc/36/03/02/565360302.db2.gz QXCAFKJSLXKPPG-CZUORRHYSA-N 2 0 393.329 2.796 20 0 GFADRP C[NH+](C)[C@@H](CNC(=O)[C@H](N)c1ccccc1Br)c1cccs1 ZINC000662347513 565361725 /nfs/dbraw/zinc/36/17/25/565361725.db2.gz GMGCOWHQMILMFP-DZGCQCFKSA-N 2 0 382.327 2.930 20 0 GFADRP C[C@]([NH3+])(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1 ZINC000662835000 565387384 /nfs/dbraw/zinc/38/73/84/565387384.db2.gz JZHCRLUQAOLLMB-SOLBZPMBSA-N 2 0 380.330 2.756 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000663502741 565423879 /nfs/dbraw/zinc/42/38/79/565423879.db2.gz AEIHHKKRMHPGEE-UHFFFAOYSA-N 2 0 386.309 2.668 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[N@H+](CCO)C(C)(C)C3)c2cc1Br ZINC000644875648 565500323 /nfs/dbraw/zinc/50/03/23/565500323.db2.gz CSAKAGNVFGBJHZ-UHFFFAOYSA-N 2 0 394.313 2.899 20 0 GFADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000647797766 565676831 /nfs/dbraw/zinc/67/68/31/565676831.db2.gz BPRRSWYFPMXEHF-BSDSXHPESA-N 2 0 381.358 2.886 20 0 GFADRP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1cc(Br)ccc1F ZINC000647798114 565676837 /nfs/dbraw/zinc/67/68/37/565676837.db2.gz LMGKXJRLKDRHHC-YOKBYHGQSA-N 2 0 385.321 2.717 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1cccs1 ZINC000626920611 565715046 /nfs/dbraw/zinc/71/50/46/565715046.db2.gz GFLKLSPXHDVYAU-JHJVBQTASA-N 2 0 378.464 2.520 20 0 GFADRP C[C@@H]1[C@H](C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000648934777 565740591 /nfs/dbraw/zinc/74/05/91/565740591.db2.gz MELLRMYTOSBICM-UKRRQHHQSA-N 2 0 397.361 2.726 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652242891 565919199 /nfs/dbraw/zinc/91/91/99/565919199.db2.gz SEKJJPYKEDDDDZ-UHFFFAOYSA-N 2 0 397.361 2.651 20 0 GFADRP C[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000679341739 566038257 /nfs/dbraw/zinc/03/82/57/566038257.db2.gz ZJVUEKWKRATQPO-AYOQOUSVSA-N 2 0 396.373 2.895 20 0 GFADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000610821861 566100888 /nfs/dbraw/zinc/10/08/88/566100888.db2.gz XUGYOXDIAMQGRI-HNNXBMFYSA-N 2 0 388.293 2.789 20 0 GFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821584811 606494496 /nfs/dbraw/zinc/49/44/96/606494496.db2.gz TWNPIQZFXGMGNM-UHFFFAOYSA-N 2 0 380.443 2.632 20 0 GFADRP COc1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1-c1nn[nH]n1 ZINC000826202041 608286835 /nfs/dbraw/zinc/28/68/35/608286835.db2.gz MOFLTEJHSQJGMZ-OAHLLOKOSA-N 2 0 396.495 2.667 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000103213280 655069163 /nfs/dbraw/zinc/06/91/63/655069163.db2.gz NXBUZFQPAMKOAV-DLBZAZTESA-N 2 0 382.346 2.504 20 0 GFADRP CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000271819910 655095587 /nfs/dbraw/zinc/09/55/87/655095587.db2.gz SALODDRAXFGWFF-DOTOQJQBSA-N 2 0 387.615 2.709 20 0 GFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCOc3cccc(Br)c3)C2)CC1 ZINC000107371567 655120295 /nfs/dbraw/zinc/12/02/95/655120295.db2.gz NGGVRDDITFCFNF-KRWDZBQOSA-N 2 0 382.346 2.540 20 0 GFADRP C[NH+]1CCN(CCC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000174248396 655195256 /nfs/dbraw/zinc/19/52/56/655195256.db2.gz VTTYBBFECFXYDW-UHFFFAOYSA-N 2 0 392.345 2.566 20 0 GFADRP C[N@@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000575916088 655439845 /nfs/dbraw/zinc/43/98/45/655439845.db2.gz OYROIMPZTXKVBV-SFHVURJKSA-N 2 0 394.357 2.966 20 0 GFADRP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000579834967 655504529 /nfs/dbraw/zinc/50/45/29/655504529.db2.gz MYSXTGFXVUWQBB-IIDMSEBBSA-N 2 0 392.341 2.876 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000747362843 655777924 /nfs/dbraw/zinc/77/79/24/655777924.db2.gz KJUOFUCGADWGMS-SJORKVTESA-N 2 0 380.627 2.909 20 0 GFADRP C[NH+](C)C[C@@H]1CN(c2ncc(Cl)cc2Br)C[C@H]1C[NH+](C)C ZINC000866010013 662456250 /nfs/dbraw/zinc/45/62/50/662456250.db2.gz DSNGDMCULVYWFF-VXGBXAGGSA-N 2 0 375.742 2.673 20 0 GFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870896615 662707165 /nfs/dbraw/zinc/70/71/65/662707165.db2.gz WWBKCWXIWWTUOZ-WMLDXEAASA-N 2 0 380.330 2.639 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000870951850 662711263 /nfs/dbraw/zinc/71/12/63/662711263.db2.gz WWEIWNXKFACOIS-WBVHZDCISA-N 2 0 380.330 2.687 20 0 GFADRP COCCNc1nn(CN(CC(C)C)CC2CC[NH+](C)CC2)c(=S)s1 ZINC000872743374 662787713 /nfs/dbraw/zinc/78/77/13/662787713.db2.gz APPPJPZTHJTWGZ-UHFFFAOYSA-N 2 0 387.619 2.990 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC000873270858 662804757 /nfs/dbraw/zinc/80/47/57/662804757.db2.gz BQBOXNWMCYWWCJ-XHDPSFHLSA-N 2 0 387.343 2.645 20 0 GFADRP COCCN(Cc1c(Cl)n(C)nc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000877664211 662881180 /nfs/dbraw/zinc/88/11/80/662881180.db2.gz JZFPPRROTRMEPG-UHFFFAOYSA-N 2 0 382.858 2.883 20 0 GFADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000878651169 662901815 /nfs/dbraw/zinc/90/18/15/662901815.db2.gz VVKGKXTWOZXPLK-INIZCTEOSA-N 2 0 394.357 2.524 20 0 GFADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884180818 663066552 /nfs/dbraw/zinc/06/65/52/663066552.db2.gz LCZPAIYCRQZYKX-QGZVFWFLSA-N 2 0 376.298 2.827 20 0 GFADRP [NH3+][C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000884294497 663068345 /nfs/dbraw/zinc/06/83/45/663068345.db2.gz CIJWQNXRIBUKAB-INMHGKMJSA-N 2 0 380.330 2.687 20 0 GFADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc(SC(F)(F)F)c1 ZINC000886930007 663125108 /nfs/dbraw/zinc/12/51/08/663125108.db2.gz NGIIHEBAYKDPGO-DZGCQCFKSA-N 2 0 377.476 2.557 20 0 GFADRP C[C@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000893354365 663408181 /nfs/dbraw/zinc/40/81/81/663408181.db2.gz JUOUHVWDKYZLFP-MJGOQNOKSA-N 2 0 394.357 2.775 20 0 GFADRP CC1CC[NH+](CCCC[NH2+]Cc2c(I)cnn2C)CC1 ZINC000894180390 663447104 /nfs/dbraw/zinc/44/71/04/663447104.db2.gz FXDLCXVZRMJWOF-UHFFFAOYSA-N 2 0 390.313 2.626 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)[C@H](C)C1 ZINC000903477489 663785255 /nfs/dbraw/zinc/78/52/55/663785255.db2.gz CNKLEILWXUNLOB-OAGGEKHMSA-N 2 0 399.377 2.687 20 0 GFADRP C[NH2+]CC1CCN(C(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)CC1 ZINC000911779288 664256316 /nfs/dbraw/zinc/25/63/16/664256316.db2.gz PRBDEWPGFKIFRV-UHFFFAOYSA-N 2 0 394.357 2.528 20 0 GFADRP C[NH2+]CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923288839 664627589 /nfs/dbraw/zinc/62/75/89/664627589.db2.gz COWCHTKXPURQBF-AWEZNQCLSA-N 2 0 391.737 2.774 20 0 GFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@H](O)c3cccc(Br)c3)CC2)C1 ZINC000923380173 664629181 /nfs/dbraw/zinc/62/91/81/664629181.db2.gz VYDHTAFZVLPDAU-SQNIBIBYSA-N 2 0 383.330 2.701 20 0 GFADRP O=C1O[C@@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC12CC[NH2+]CC2 ZINC000925851532 664675968 /nfs/dbraw/zinc/67/59/68/664675968.db2.gz FYNNAZGGBCFNTO-WBMJQRKESA-N 2 0 397.288 2.850 20 0 GFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Br ZINC000925853700 664676102 /nfs/dbraw/zinc/67/61/02/664676102.db2.gz KOTQVCLOLSYVSK-JSGCOSHPSA-N 2 0 397.313 2.794 20 0 GFADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(Br)n1)C2 ZINC000926878683 664698514 /nfs/dbraw/zinc/69/85/14/664698514.db2.gz HQLWWEOUARCSOY-OZNHZTKRSA-N 2 0 382.346 2.974 20 0 GFADRP [NH3+]C1CCN(c2ccnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164626080 719088163 /nfs/dbraw/zinc/08/81/63/719088163.db2.gz IDLZFBSZAIIQBH-FPOVZHCZSA-N 2 0 392.551 2.505 20 0 GFADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc4c(n2)CC[NH2+]C4)CC3)cs1 ZINC001164693248 719805417 /nfs/dbraw/zinc/80/54/17/719805417.db2.gz RBMKQDGAVFXGMR-UHFFFAOYSA-N 2 0 384.553 2.522 20 0 GFADRP COC[C@]12CCCO[C@@H]1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164849851 720828854 /nfs/dbraw/zinc/82/88/54/720828854.db2.gz RFGAEFPNLGLAAD-TZIWHRDSSA-N 2 0 375.513 2.577 20 0 GFADRP Cc1[nH+]c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc2[nH]ccc21 ZINC001164889541 721429041 /nfs/dbraw/zinc/42/90/41/721429041.db2.gz BMGYMCLOYRVAKP-GCJKJVERSA-N 2 0 383.540 2.637 20 0 GFADRP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc(N(C)C)[nH+]1 ZINC001165018727 721802819 /nfs/dbraw/zinc/80/28/19/721802819.db2.gz CEPKNSYIUBOJLK-YSIASYRMSA-N 2 0 380.540 2.983 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cncc(Br)c1 ZINC000126877082 551333776 /nfs/dbraw/zinc/33/37/76/551333776.db2.gz UTIKQLMVPMPSMI-INIZCTEOSA-N 2 0 398.349 2.724 20 0 GFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000127735611 551344128 /nfs/dbraw/zinc/34/41/28/551344128.db2.gz KPGBBJKYYJAYOJ-UONOGXRCSA-N 2 0 387.309 2.578 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000155080832 551490768 /nfs/dbraw/zinc/49/07/68/551490768.db2.gz CFOPWAQUPVDPTI-RHSMWYFYSA-N 2 0 382.346 2.888 20 0 GFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccccc1Br ZINC000168961928 551634880 /nfs/dbraw/zinc/63/48/80/551634880.db2.gz ZXWVWZMSFMRLDA-IBGZPJMESA-N 2 0 398.389 2.880 20 0 GFADRP C[C@@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000178771396 552174828 /nfs/dbraw/zinc/17/48/28/552174828.db2.gz ZJKVWMCRPHGBDO-YOEHRIQHSA-N 2 0 382.346 2.888 20 0 GFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ncc(Br)cc2F)CC1 ZINC000187159582 552408434 /nfs/dbraw/zinc/40/84/34/552408434.db2.gz BOTZFYBXKJDFRY-UONOGXRCSA-N 2 0 387.341 2.907 20 0 GFADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261871587 553161826 /nfs/dbraw/zinc/16/18/26/553161826.db2.gz XWYQJOLDYWKNCN-KBXCAEBGSA-N 2 0 382.346 2.717 20 0 GFADRP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261970162 553163441 /nfs/dbraw/zinc/16/34/41/553163441.db2.gz YWQXSCBPFVYYCR-RHSMWYFYSA-N 2 0 380.330 2.529 20 0 GFADRP COCC1(C[NH2+][C@H](C)c2ccc(I)cc2)CC[NH2+]CC1 ZINC000423394183 563360088 /nfs/dbraw/zinc/36/00/88/563360088.db2.gz PZVMTALTFQHYOR-CYBMUJFWSA-N 2 0 388.293 2.958 20 0 GFADRP C[C@H]([NH3+])CCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000277551734 563212758 /nfs/dbraw/zinc/21/27/58/563212758.db2.gz YUYHRWZTCJAPEG-AWEZNQCLSA-N 2 0 398.345 2.536 20 0 GFADRP C[NH2+]CCCNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000418282182 563215316 /nfs/dbraw/zinc/21/53/16/563215316.db2.gz XCNAGLGIFSSWHZ-UHFFFAOYSA-N 2 0 397.361 2.664 20 0 GFADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418584582 563220779 /nfs/dbraw/zinc/22/07/79/563220779.db2.gz CFRIFFVPGKOHPI-YOEHRIQHSA-N 2 0 397.361 2.520 20 0 GFADRP COc1c(Br)cccc1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373459608 563338504 /nfs/dbraw/zinc/33/85/04/563338504.db2.gz MUKSYJCPZSEUPY-HNNXBMFYSA-N 2 0 382.346 2.716 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2ccccc2Br)CC[NH2+]CC1 ZINC000422831678 563350080 /nfs/dbraw/zinc/35/00/80/563350080.db2.gz TVEJXCSWJJDKLR-AWEZNQCLSA-N 2 0 383.330 2.903 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422945705 563351542 /nfs/dbraw/zinc/35/15/42/563351542.db2.gz NNFNHSVJEMFGDD-IHETXDGRSA-N 2 0 382.346 2.617 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CO)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000423097219 563355177 /nfs/dbraw/zinc/35/51/77/563355177.db2.gz QJWCHFZTJHOPTC-IUODEOHRSA-N 2 0 389.323 2.938 20 0 GFADRP O=S(=O)(NCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423096396 563355526 /nfs/dbraw/zinc/35/55/26/563355526.db2.gz HQZIVWKBOPIACX-DJIMGWMZSA-N 2 0 385.961 2.519 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423151481 563357109 /nfs/dbraw/zinc/35/71/09/563357109.db2.gz DIPPVJFHZKFCGF-IAOVAPTHSA-N 2 0 385.346 2.858 20 0 GFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Br)cc1Br ZINC000423200207 563358697 /nfs/dbraw/zinc/35/86/97/563358697.db2.gz DWEBPRUZDRFJLC-LLVKDONJSA-N 2 0 391.151 2.767 20 0 GFADRP CC[NH2+]CC1CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000430560848 563546214 /nfs/dbraw/zinc/54/62/14/563546214.db2.gz XQNSLDGURLDPBM-UHFFFAOYSA-N 2 0 388.375 2.791 20 0 GFADRP CCOc1ccc(Br)cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433143639 563603872 /nfs/dbraw/zinc/60/38/72/563603872.db2.gz ZSDJVGRNWSONEZ-UHFFFAOYSA-N 2 0 384.318 2.990 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000433149598 563604804 /nfs/dbraw/zinc/60/48/04/563604804.db2.gz JNSUWBUGVZNWGQ-KRWDZBQOSA-N 2 0 380.330 2.756 20 0 GFADRP C[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Oc1cccc(Br)c1 ZINC000433155266 563604955 /nfs/dbraw/zinc/60/49/55/563604955.db2.gz XMKSVRQUENAUPU-CQSZACIVSA-N 2 0 398.345 2.536 20 0 GFADRP C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000439444013 563725736 /nfs/dbraw/zinc/72/57/36/563725736.db2.gz BGSHVEAVEUXADS-XJKSGUPXSA-N 2 0 389.309 2.602 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000414676054 563750020 /nfs/dbraw/zinc/75/00/20/563750020.db2.gz HCZFKPBIFZINBX-LIRRHRJNSA-N 2 0 375.563 2.954 20 0 GFADRP Brc1ccc(-c2ncc(C[NH2+]CCN3CC[NH2+]CC3)s2)cc1 ZINC000414869561 563753770 /nfs/dbraw/zinc/75/37/70/563753770.db2.gz RGJUKIFZMVHQNN-UHFFFAOYSA-N 2 0 381.343 2.567 20 0 GFADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc(I)c1OC ZINC000414929430 563754488 /nfs/dbraw/zinc/75/44/88/563754488.db2.gz RJBQGJMFHBSTDM-VXGBXAGGSA-N 2 0 390.265 2.668 20 0 GFADRP FC(F)(F)[C@@H](C[NH2+]Cc1cnc(-c2cccs2)s1)N1CC[NH2+]CC1 ZINC000414989182 563756080 /nfs/dbraw/zinc/75/60/80/563756080.db2.gz QFHRYFTZTKOPQQ-CYBMUJFWSA-N 2 0 376.473 2.797 20 0 GFADRP OC1CC[NH+](CCC[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449095423 563906449 /nfs/dbraw/zinc/90/64/49/563906449.db2.gz YJJNFIOAIMYYGY-UHFFFAOYSA-N 2 0 378.314 2.934 20 0 GFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(I)cc1 ZINC000449227301 563908291 /nfs/dbraw/zinc/90/82/91/563908291.db2.gz ZYXWLDZVJRITOR-HNNXBMFYSA-N 2 0 376.282 2.738 20 0 GFADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C[NH+](C)[C@H]3CCSC3)C2)s1 ZINC000563266339 564183436 /nfs/dbraw/zinc/18/34/36/564183436.db2.gz NBUFXFWEKKCYNI-IRXDYDNUSA-N 2 0 381.611 2.774 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(Br)c1 ZINC000505791126 564190114 /nfs/dbraw/zinc/19/01/14/564190114.db2.gz VJLUFSLQWNMLLN-AWEZNQCLSA-N 2 0 388.375 2.999 20 0 GFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000449680712 564195346 /nfs/dbraw/zinc/19/53/46/564195346.db2.gz KMZYWNODBHKQHV-VKJFTORMSA-N 2 0 399.373 2.929 20 0 GFADRP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683851 564195624 /nfs/dbraw/zinc/19/56/24/564195624.db2.gz OCSNFWJKCYRKCQ-ARFHVFGLSA-N 2 0 385.321 2.956 20 0 GFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000564823207 564250546 /nfs/dbraw/zinc/25/05/46/564250546.db2.gz WMVDVPSYQVTPRL-BRWVUGGUSA-N 2 0 385.599 2.802 20 0 GFADRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000564826286 564250810 /nfs/dbraw/zinc/25/08/10/564250810.db2.gz KIGXXXRHNVLROT-GVDBMIGSSA-N 2 0 380.330 2.689 20 0 GFADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(C)s1 ZINC000566090927 564308328 /nfs/dbraw/zinc/30/83/28/564308328.db2.gz QDPGNGXVCBWUJU-GVDBMIGSSA-N 2 0 385.599 2.544 20 0 GFADRP CC[C@@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccc(Cl)s1 ZINC000542555915 564318042 /nfs/dbraw/zinc/31/80/42/564318042.db2.gz YHCACVJNOAHVKL-LSDHHAIUSA-N 2 0 387.977 2.915 20 0 GFADRP [NH3+]C[C@@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)CC12CCOCC2 ZINC000566245534 564319545 /nfs/dbraw/zinc/31/95/45/564319545.db2.gz UCPKVBGTHYTNLJ-CYBMUJFWSA-N 2 0 387.293 2.654 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Br)c2cccnc12 ZINC000566529416 564330875 /nfs/dbraw/zinc/33/08/75/564330875.db2.gz OQSUQTCRVRQQDK-UHFFFAOYSA-N 2 0 379.346 2.923 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511045885 564354831 /nfs/dbraw/zinc/35/48/31/564354831.db2.gz JCLYSOFSTXUKTN-IOASZLSFSA-N 2 0 388.293 2.988 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000451995022 564378487 /nfs/dbraw/zinc/37/84/87/564378487.db2.gz WQFYUQZUHABQMV-UHFFFAOYSA-N 2 0 387.355 2.938 20 0 GFADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000567680444 564382238 /nfs/dbraw/zinc/38/22/38/564382238.db2.gz YXDYPMURULLXIU-INIZCTEOSA-N 2 0 389.309 2.790 20 0 GFADRP COc1sc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1Br ZINC000567794753 564389178 /nfs/dbraw/zinc/38/91/78/564389178.db2.gz JJBGQYPKGJMBPE-UHFFFAOYSA-N 2 0 376.364 2.589 20 0 GFADRP C[NH+](C)CC1CCC([NH2+]Cc2ncc(I)s2)CC1 ZINC000512046124 564390789 /nfs/dbraw/zinc/39/07/89/564390789.db2.gz QODCCEKTYBEJSP-UHFFFAOYSA-N 2 0 379.311 2.958 20 0 GFADRP [NH3+]Cc1cn([C@@H]2CCCN(Cc3cc(Br)cc(F)c3F)C2)nn1 ZINC000568401154 564417585 /nfs/dbraw/zinc/41/75/85/564417585.db2.gz FBEOPUXVCRCGLH-CYBMUJFWSA-N 2 0 386.244 2.615 20 0 GFADRP C[C@@H](C[NH2+][C@@H](Cc1ccccc1Br)C1CC1)N1CC[NH+](C)CC1 ZINC000453089368 564445862 /nfs/dbraw/zinc/44/58/62/564445862.db2.gz AXWDVVQNXJNUBM-KXBFYZLASA-N 2 0 380.374 2.996 20 0 GFADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000571681750 564561731 /nfs/dbraw/zinc/56/17/31/564561731.db2.gz DDRJEKGUGZZOJI-UAGQMJEPSA-N 2 0 394.357 2.948 20 0 GFADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)COc1cccc(Br)c1 ZINC000521996600 564641173 /nfs/dbraw/zinc/64/11/73/564641173.db2.gz YBKJKCSSFCXLTK-KRWDZBQOSA-N 2 0 383.330 2.795 20 0 GFADRP C[C@H]([NH2+]CCn1cc(Br)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000552335378 564686602 /nfs/dbraw/zinc/68/66/02/564686602.db2.gz PVDZSIQDLWXLPY-AWEZNQCLSA-N 2 0 381.318 2.937 20 0 GFADRP COCCN(C)C[C@@H](O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000574766819 564687741 /nfs/dbraw/zinc/68/77/41/564687741.db2.gz SLNDOVCMWLYOPZ-GOSISDBHSA-N 2 0 385.346 2.568 20 0 GFADRP C[N@H+](CCCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000576221049 564708506 /nfs/dbraw/zinc/70/85/06/564708506.db2.gz SGWBPZYLCZRHKB-UHFFFAOYSA-N 2 0 389.359 2.687 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000525819052 564708994 /nfs/dbraw/zinc/70/89/94/564708994.db2.gz LGOVKMCIFUZQSU-AWEZNQCLSA-N 2 0 389.327 2.562 20 0 GFADRP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685732 564756451 /nfs/dbraw/zinc/75/64/51/564756451.db2.gz BEYLLRRBRKRASV-JCGIZDLHSA-N 2 0 385.321 2.956 20 0 GFADRP C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CC[NH2+]1 ZINC000581654820 564812655 /nfs/dbraw/zinc/81/26/55/564812655.db2.gz QAYSLMFITHEGJE-KBPBESRZSA-N 2 0 395.345 2.883 20 0 GFADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000493977361 564815328 /nfs/dbraw/zinc/81/53/28/564815328.db2.gz NMHOGJAMTCOUSC-WBVHZDCISA-N 2 0 394.357 2.922 20 0 GFADRP C[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000556922199 564847135 /nfs/dbraw/zinc/84/71/35/564847135.db2.gz UPKBOSHEISKWRT-CQSZACIVSA-N 2 0 381.318 2.937 20 0 GFADRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000582839730 564864452 /nfs/dbraw/zinc/86/44/52/564864452.db2.gz JCCZHAPRWHWIMD-GVDBMIGSSA-N 2 0 380.330 2.689 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000531357968 564907268 /nfs/dbraw/zinc/90/72/68/564907268.db2.gz XKAKFZUQAHMMCX-DLBZAZTESA-N 2 0 382.346 2.504 20 0 GFADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000501414710 564978915 /nfs/dbraw/zinc/97/89/15/564978915.db2.gz BBVIVPQZCDLNSU-GFCCVEGCSA-N 2 0 376.289 2.843 20 0 GFADRP Fc1cncc(Br)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537288 565107838 /nfs/dbraw/zinc/10/78/38/565107838.db2.gz GWVRJGFTZZOKCO-UHFFFAOYSA-N 2 0 386.309 2.964 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1([NH3+])CCCC1 ZINC000659570938 565219942 /nfs/dbraw/zinc/21/99/42/565219942.db2.gz NKPIQKDIGHDIOO-UHFFFAOYSA-N 2 0 397.361 2.794 20 0 GFADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(c3ccc(Cl)cc3Cl)CCC2)CC1 ZINC000644612745 565485174 /nfs/dbraw/zinc/48/51/74/565485174.db2.gz LDRSNBGMISUOIF-INIZCTEOSA-N 2 0 386.367 2.613 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000645107897 565513572 /nfs/dbraw/zinc/51/35/72/565513572.db2.gz SGBQAUOEQMJGCT-MZMPZRCHSA-N 2 0 380.330 2.614 20 0 GFADRP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000623889795 565533557 /nfs/dbraw/zinc/53/35/57/565533557.db2.gz WIORDQAWCGRRFV-CHWSQXEVSA-N 2 0 378.870 2.910 20 0 GFADRP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000623888538 565534198 /nfs/dbraw/zinc/53/41/98/565534198.db2.gz KEUWGNFTHKLYEQ-OLZOCXBDSA-N 2 0 378.870 2.910 20 0 GFADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000667157947 565573359 /nfs/dbraw/zinc/57/33/59/565573359.db2.gz MIQMNBXSIWBSBH-NSHDSACASA-N 2 0 381.468 2.641 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(Br)c1F ZINC000667921167 565613590 /nfs/dbraw/zinc/61/35/90/565613590.db2.gz XXWBQJKITJLOEW-UHFFFAOYSA-N 2 0 375.286 2.545 20 0 GFADRP C[NH+]1CCN(CCC[NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000647168601 565642859 /nfs/dbraw/zinc/64/28/59/565642859.db2.gz CPINFAPDVXZRKM-UHFFFAOYSA-N 2 0 392.288 2.778 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000670133249 565715985 /nfs/dbraw/zinc/71/59/85/565715985.db2.gz CHOUTHXTQVJRID-FUHWJXTLSA-N 2 0 384.977 2.679 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000627219865 565726903 /nfs/dbraw/zinc/72/69/03/565726903.db2.gz FEISHSTYBHCUDD-RBSFLKMASA-N 2 0 377.291 2.677 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]C2(c3ccccc3Br)CCC2)C1 ZINC000650704353 565832852 /nfs/dbraw/zinc/83/28/52/565832852.db2.gz VDFLNUKXAJYFSD-CQSZACIVSA-N 2 0 380.330 2.615 20 0 GFADRP C[N@H+](CCOCC[NH3+])Cc1cc(Br)ccc1OCc1ccccn1 ZINC000629667127 565866124 /nfs/dbraw/zinc/86/61/24/565866124.db2.gz USEAHQITVJBDQB-UHFFFAOYSA-N 2 0 394.313 2.830 20 0 GFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000652346045 565922687 /nfs/dbraw/zinc/92/26/87/565922687.db2.gz RWVUMEHJHULPSR-FRFSOERESA-N 2 0 396.329 2.606 20 0 GFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000631063277 565937032 /nfs/dbraw/zinc/93/70/32/565937032.db2.gz AAWDNNCLUQKTLS-UHFFFAOYSA-N 2 0 381.929 2.729 20 0 GFADRP C[NH+]1CCC(C[NH2+]Cc2ccncc2Br)(N2CCCCC2)CC1 ZINC000631078389 565937769 /nfs/dbraw/zinc/93/77/69/565937769.db2.gz BBBQTLSYFTURLJ-UHFFFAOYSA-N 2 0 381.362 2.884 20 0 GFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736859256 598511227 /nfs/dbraw/zinc/51/12/27/598511227.db2.gz YBKCSNCZGUUFRU-IBGZPJMESA-N 2 0 392.507 2.877 20 0 GFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000824625448 609407859 /nfs/dbraw/zinc/40/78/59/609407859.db2.gz IHPLJSWPZXKOKD-IERDGZPVSA-N 2 0 392.507 2.674 20 0 GFADRP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826201790 609444532 /nfs/dbraw/zinc/44/45/32/609444532.db2.gz DNLAMTNLWVDORQ-APWZRJJASA-N 2 0 392.507 2.876 20 0 GFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817579163 660201528 /nfs/dbraw/zinc/20/15/28/660201528.db2.gz VJHFMMLAWHSYRZ-OAHLLOKOSA-N 2 0 387.391 2.972 20 0 GFADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)ccn1 ZINC000819196836 660249826 /nfs/dbraw/zinc/24/98/26/660249826.db2.gz SXJYLIYRVOOGDT-QGZVFWFLSA-N 2 0 394.313 2.608 20 0 GFADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000827867254 660520561 /nfs/dbraw/zinc/52/05/61/660520561.db2.gz VECVJEBWFHINBJ-KRWDZBQOSA-N 2 0 378.388 2.986 20 0 GFADRP C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122342134 654734665 /nfs/dbraw/zinc/73/46/65/654734665.db2.gz JWONHXXDSLJHTG-CQSZACIVSA-N 2 0 381.318 2.764 20 0 GFADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1I)N1CC[NH+](C)CC1 ZINC000268922803 654991277 /nfs/dbraw/zinc/99/12/77/654991277.db2.gz WYKSKUBTZQMJPJ-KGLIPLIRSA-N 2 0 387.309 2.578 20 0 GFADRP Cc1cc(Br)cn2c(C[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)cnc12 ZINC000274581682 655193659 /nfs/dbraw/zinc/19/36/59/655193659.db2.gz KZOGKKUPWNIUDA-HNNXBMFYSA-N 2 0 394.361 2.521 20 0 GFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cn3c4ccc(Br)cc4oc3=O)C2)CC1 ZINC000755780986 655888925 /nfs/dbraw/zinc/88/89/25/655888925.db2.gz RHXAFCWVKIWCGD-AWEZNQCLSA-N 2 0 394.313 2.978 20 0 GFADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=S)NCC1CC[NH+](C)CC1 ZINC000760492443 655982544 /nfs/dbraw/zinc/98/25/44/655982544.db2.gz SSMXAOSIIDXHBT-UHFFFAOYSA-N 2 0 382.540 2.799 20 0 GFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ncc1F ZINC000762743359 656057572 /nfs/dbraw/zinc/05/75/72/656057572.db2.gz BANKDGAUIMQWNH-OLZOCXBDSA-N 2 0 385.325 2.802 20 0 GFADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000841029386 661228972 /nfs/dbraw/zinc/22/89/72/661228972.db2.gz NZIGXBDKQNZDRJ-UHFFFAOYSA-N 2 0 382.339 2.872 20 0 GFADRP Cn1c(Cl)nc(Cl)c1CNCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000841104080 661233291 /nfs/dbraw/zinc/23/32/91/661233291.db2.gz NDRPNNIZQCRVGQ-UHFFFAOYSA-N 2 0 382.339 2.810 20 0 GFADRP COc1cc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)ccc1S(=O)(=O)C(F)F ZINC000844924228 661449587 /nfs/dbraw/zinc/44/95/87/661449587.db2.gz JQWDOQPENRWKOE-LBPRGKRZSA-N 2 0 376.469 2.732 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+](C)C ZINC000870023760 662671648 /nfs/dbraw/zinc/67/16/48/662671648.db2.gz LPNNRKIEMGTIQK-ZIAGYGMSSA-N 2 0 388.339 2.570 20 0 GFADRP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000873274416 662804776 /nfs/dbraw/zinc/80/47/76/662804776.db2.gz DDHLHDOMUNVUFI-ZUQJMZMUSA-N 2 0 377.326 2.834 20 0 GFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000873268414 662804784 /nfs/dbraw/zinc/80/47/84/662804784.db2.gz CGOHVZDAAXDKKO-NXEZZACHSA-N 2 0 380.341 2.680 20 0 GFADRP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000877147271 662871664 /nfs/dbraw/zinc/87/16/64/662871664.db2.gz SZBCCYOGQFJFOW-MRXNPFEDSA-N 2 0 380.330 2.926 20 0 GFADRP [NH3+][C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000884184348 663066690 /nfs/dbraw/zinc/06/66/90/663066690.db2.gz NECRVKUFSCVOFO-QGZVFWFLSA-N 2 0 380.330 2.926 20 0 GFADRP [NH3+][C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000884227303 663067225 /nfs/dbraw/zinc/06/72/25/663067225.db2.gz MLWMEPWHVFSATP-PBHICJAKSA-N 2 0 380.330 2.783 20 0 GFADRP Brc1cnc2n1C[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000898722172 663660828 /nfs/dbraw/zinc/66/08/28/663660828.db2.gz YZRIBABXVAQSFT-CQSZACIVSA-N 2 0 376.302 2.614 20 0 GFADRP [NH3+][C@H](CC(=O)Nc1cccc2c1CC[NH2+]C2)Cc1ccc(Br)cc1 ZINC000911796698 664256732 /nfs/dbraw/zinc/25/67/32/664256732.db2.gz PMRPKCDZBWHPIM-INIZCTEOSA-N 2 0 388.309 2.993 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000916101895 664450002 /nfs/dbraw/zinc/45/00/02/664450002.db2.gz KJSILVQYOZNNFX-WJDWOHSUSA-N 2 0 387.977 2.846 20 0 GFADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(O)ccc1Br)C2 ZINC000922390040 664598443 /nfs/dbraw/zinc/59/84/43/664598443.db2.gz ZRLIXLYDEZEITB-BRSBDYLESA-N 2 0 383.330 2.724 20 0 GFADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(O)ccc1Br)C2 ZINC000922390044 664598517 /nfs/dbraw/zinc/59/85/17/664598517.db2.gz ZRLIXLYDEZEITB-ZJPYXAASSA-N 2 0 383.330 2.724 20 0 GFADRP COC(=O)c1cc(Br)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000923327539 664628324 /nfs/dbraw/zinc/62/83/24/664628324.db2.gz MZHMSZFGVHISJM-UHFFFAOYSA-N 2 0 397.313 2.820 20 0 GFADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923355230 664628909 /nfs/dbraw/zinc/62/89/09/664628909.db2.gz HZHAAJYEXVYYPN-WFASDCNBSA-N 2 0 377.710 2.513 20 0 GFADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000923371106 664629117 /nfs/dbraw/zinc/62/91/17/664629117.db2.gz OYPXZGKTSAKOJB-BHJGYWERSA-N 2 0 380.330 2.828 20 0 GFADRP CN1CC[C@H]([NH2+]CCOCC[NH+](C)C)C[C@H]1c1ccc(Br)cc1 ZINC000926251599 664685693 /nfs/dbraw/zinc/68/56/93/664685693.db2.gz BFWPDCPZSVDUSH-ROUUACIJSA-N 2 0 384.362 2.752 20 0 GFADRP O[C@H](CN1CCC([N@@H+]2CCCOCC2)CC1)c1ccc(Br)cc1 ZINC000931285260 664790436 /nfs/dbraw/zinc/79/04/36/664790436.db2.gz KVBNQKHFHARQEA-GOSISDBHSA-N 2 0 383.330 2.669 20 0 GFADRP Clc1nc2c(c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n1)C[NH2+]CC2 ZINC001164626191 719052856 /nfs/dbraw/zinc/05/28/56/719052856.db2.gz QYBNYAMTTRZHQI-VQIMIIECSA-N 2 0 383.927 2.877 20 0 GFADRP Clc1nc2c(c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n1)CC[NH2+]C2 ZINC001164628638 719061936 /nfs/dbraw/zinc/06/19/36/719061936.db2.gz SZZWFHIJQHDZCB-APWZRJJASA-N 2 0 383.927 2.877 20 0 GFADRP C[NH+]1CCN(c2cccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164629943 719087191 /nfs/dbraw/zinc/08/71/91/719087191.db2.gz ULTXLFMMDSFHAK-VXKWHMMOSA-N 2 0 391.563 2.934 20 0 GFADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000126887416 551333826 /nfs/dbraw/zinc/33/38/26/551333826.db2.gz PXCLGYMTXDBUEG-KRWDZBQOSA-N 2 0 380.330 2.624 20 0 GFADRP C[C@@H](c1cccc(Br)c1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000177951840 552161102 /nfs/dbraw/zinc/16/11/02/552161102.db2.gz YRVHHFVROPOEJB-AWEZNQCLSA-N 2 0 382.346 2.900 20 0 GFADRP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182958712 552297388 /nfs/dbraw/zinc/29/73/88/552297388.db2.gz ATGRVIVEZINVOJ-CQSZACIVSA-N 2 0 387.355 2.890 20 0 GFADRP COc1sc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1Br ZINC000185862707 552372510 /nfs/dbraw/zinc/37/25/10/552372510.db2.gz MSQMACXITPQOKS-LBPRGKRZSA-N 2 0 376.364 2.635 20 0 GFADRP Brc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(N2CCOCC2)c1 ZINC000188694682 552452709 /nfs/dbraw/zinc/45/27/09/552452709.db2.gz IDAQNIGCUAYOQC-OAHLLOKOSA-N 2 0 394.357 2.860 20 0 GFADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Br)c1 ZINC000423394870 563360571 /nfs/dbraw/zinc/36/05/71/563360571.db2.gz SHDQXOOKTYWLLK-RISCZKNCSA-N 2 0 380.252 2.936 20 0 GFADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC1CCC([NH3+])CC1 ZINC000418391329 563216578 /nfs/dbraw/zinc/21/65/78/563216578.db2.gz USGOTMBHWXUQNM-UHFFFAOYSA-N 2 0 397.361 2.792 20 0 GFADRP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000420365285 563263080 /nfs/dbraw/zinc/26/30/80/563263080.db2.gz IZKVZKCECZSYOE-KRWDZBQOSA-N 2 0 384.293 2.992 20 0 GFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000422770394 563349175 /nfs/dbraw/zinc/34/91/75/563349175.db2.gz WMMKGIOWCASHSQ-IUODEOHRSA-N 2 0 389.359 2.718 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422878849 563350020 /nfs/dbraw/zinc/35/00/20/563350020.db2.gz KVYXPDWEPVPGNK-JCGIZDLHSA-N 2 0 397.357 2.839 20 0 GFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896352 563350194 /nfs/dbraw/zinc/35/01/94/563350194.db2.gz XVKVQJJLPNZXCF-ZOCIIQOWSA-N 2 0 396.373 2.755 20 0 GFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000423096227 563355412 /nfs/dbraw/zinc/35/54/12/563355412.db2.gz OEAZBLBHGUFHID-BRWVUGGUSA-N 2 0 399.320 2.725 20 0 GFADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)cs1 ZINC000423372822 563360405 /nfs/dbraw/zinc/36/04/05/563360405.db2.gz BJTVNRGDVFWXMB-SKDRFNHKSA-N 2 0 386.281 2.997 20 0 GFADRP O=S1(=O)CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2cc(Br)ccc21 ZINC000423484008 563361209 /nfs/dbraw/zinc/36/12/09/563361209.db2.gz QPTYBJXDBJRNJN-ZFWWWQNUSA-N 2 0 387.343 2.789 20 0 GFADRP COc1cc2[nH+]ccc(N3CC[N@H+](CCO)[C@H](C)C3)c2cc1Br ZINC000425243786 563414270 /nfs/dbraw/zinc/41/42/70/563414270.db2.gz QTIQKFKKCZUMNX-GFCCVEGCSA-N 2 0 380.286 2.509 20 0 GFADRP COc1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000323826900 563451775 /nfs/dbraw/zinc/45/17/75/563451775.db2.gz PQJYJIZGJRPUFL-SFHVURJKSA-N 2 0 384.362 2.819 20 0 GFADRP NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000283900004 563458402 /nfs/dbraw/zinc/45/84/02/563458402.db2.gz JXBUAESXAHBBTP-INIZCTEOSA-N 2 0 378.929 2.893 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000433156915 563604773 /nfs/dbraw/zinc/60/47/73/563604773.db2.gz DCKMVTVOHSPVDL-UHFFFAOYSA-N 2 0 375.357 2.533 20 0 GFADRP COc1ccc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1Br ZINC000433148109 563605195 /nfs/dbraw/zinc/60/51/95/563605195.db2.gz FUXDMDPIGFSPCP-CYBMUJFWSA-N 2 0 398.345 2.838 20 0 GFADRP CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670644 563749096 /nfs/dbraw/zinc/74/90/96/563749096.db2.gz DKWDPTSVONVENP-MRXNPFEDSA-N 2 0 382.346 2.857 20 0 GFADRP CC[C@@H](Cc1ccccc1Br)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414743971 563752149 /nfs/dbraw/zinc/75/21/49/563752149.db2.gz NUNAJORTWBHELR-RDJZCZTQSA-N 2 0 396.373 2.899 20 0 GFADRP CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414769832 563752589 /nfs/dbraw/zinc/75/25/89/563752589.db2.gz XJDZIZCJNWCWLZ-TZMCWYRMSA-N 2 0 388.375 2.837 20 0 GFADRP C[C@H](C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Br)c1 ZINC000414971959 563755161 /nfs/dbraw/zinc/75/51/61/563755161.db2.gz JDZJFDCHPSAPDJ-DOMZBBRYSA-N 2 0 394.279 2.978 20 0 GFADRP Cc1cc(Br)cn2cc(CCNC(=O)CC3CC[NH+](C)CC3)nc12 ZINC000291762925 563757402 /nfs/dbraw/zinc/75/74/02/563757402.db2.gz VQIDZYLGHVAECJ-UHFFFAOYSA-N 2 0 393.329 2.796 20 0 GFADRP Cc1nc(-c2ccc(CC[NH2+]C[C@H]3CCCN(C(=O)C[NH3+])C3)s2)cs1 ZINC000415088025 563759025 /nfs/dbraw/zinc/75/90/25/563759025.db2.gz LMFIQIISQDTIIT-CQSZACIVSA-N 2 0 378.567 2.509 20 0 GFADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000564798515 564250020 /nfs/dbraw/zinc/25/00/20/564250020.db2.gz YXKIWUKBXVCEGE-ZIAGYGMSSA-N 2 0 385.350 2.648 20 0 GFADRP [NH3+]CCOCC[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000566302653 564322181 /nfs/dbraw/zinc/32/21/81/564322181.db2.gz BUMASDUGOXVOEM-UHFFFAOYSA-N 2 0 396.251 2.565 20 0 GFADRP CC(C)(C[NH2+]C[C@H](O)COc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000567582666 564378936 /nfs/dbraw/zinc/37/89/36/564378936.db2.gz UQJKVLHQDFEXAF-INIZCTEOSA-N 2 0 385.346 2.900 20 0 GFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000567639971 564381718 /nfs/dbraw/zinc/38/17/18/564381718.db2.gz QVPLKVISXTZQOZ-ZACQAIPSSA-N 2 0 385.599 2.659 20 0 GFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)c(I)c1 ZINC000453119909 564447237 /nfs/dbraw/zinc/44/72/37/564447237.db2.gz JQAZCFBYLCSBHK-NSHDSACASA-N 2 0 392.256 2.538 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000453346459 564454002 /nfs/dbraw/zinc/45/40/02/564454002.db2.gz FKSCMFKNOSVHBN-LDDOYCOJSA-N 2 0 399.373 2.927 20 0 GFADRP CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481084694 564503192 /nfs/dbraw/zinc/50/31/92/564503192.db2.gz ZHFRCQBSLOYDFJ-UHFFFAOYSA-N 2 0 388.375 2.743 20 0 GFADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000570564969 564511896 /nfs/dbraw/zinc/51/18/96/564511896.db2.gz RVUBBZXQSKELMT-HNNXBMFYSA-N 2 0 386.367 2.613 20 0 GFADRP CCC[N@H+](C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)C[C@@H]1C ZINC000456362631 564602796 /nfs/dbraw/zinc/60/27/96/564602796.db2.gz DPNSYLMGBLXEAF-AWEZNQCLSA-N 2 0 397.361 2.870 20 0 GFADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000486066109 564637589 /nfs/dbraw/zinc/63/75/89/564637589.db2.gz UMRSVJGTJKPCCO-PBHICJAKSA-N 2 0 382.346 2.537 20 0 GFADRP C[C@@H]([NH2+]CCn1cc(Br)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000552335379 564686464 /nfs/dbraw/zinc/68/64/64/564686464.db2.gz PVDZSIQDLWXLPY-CQSZACIVSA-N 2 0 381.318 2.937 20 0 GFADRP CC[NH+]1CCN(CCC[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527641891 564753476 /nfs/dbraw/zinc/75/34/76/564753476.db2.gz ZBGJYALOTGRJNY-UHFFFAOYSA-N 2 0 375.742 2.615 20 0 GFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527693493 564756102 /nfs/dbraw/zinc/75/61/02/564756102.db2.gz SZDKMOJAZKKMDS-LBPRGKRZSA-N 2 0 376.289 2.843 20 0 GFADRP CSc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)s1 ZINC000562071588 565016894 /nfs/dbraw/zinc/01/68/94/565016894.db2.gz GXWSYKCISWMRFS-KRWDZBQOSA-N 2 0 377.579 2.849 20 0 GFADRP C[C@H](C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000470001852 565034989 /nfs/dbraw/zinc/03/49/89/565034989.db2.gz DTKZTYGHOWEVLP-WBVHZDCISA-N 2 0 394.357 2.696 20 0 GFADRP C[N@@H+]1CC[C@@]2(C1)CCCN([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661774 565288350 /nfs/dbraw/zinc/28/83/50/565288350.db2.gz GHLKXGMWBDSPAM-IEBWSBKVSA-N 2 0 392.341 2.972 20 0 GFADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1Cl ZINC000662695292 565382459 /nfs/dbraw/zinc/38/24/59/565382459.db2.gz YUJIFCJYVNLFQP-OAHLLOKOSA-N 2 0 379.810 2.761 20 0 GFADRP O=S1(=O)CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2cc(Br)ccc21 ZINC000643510614 565434425 /nfs/dbraw/zinc/43/44/25/565434425.db2.gz ZDDIILWJYQHBJD-IUODEOHRSA-N 2 0 387.343 2.647 20 0 GFADRP C[N@@H+]1CCCC[C@@H](CNCc2cn(-c3ccccc3Br)nn2)C1 ZINC000623656970 565523004 /nfs/dbraw/zinc/52/30/04/565523004.db2.gz GZQVPAUJDHJPME-AWEZNQCLSA-N 2 0 378.318 2.851 20 0 GFADRP CC[N@H+](C)C[C@H]1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214701 565607030 /nfs/dbraw/zinc/60/70/30/565607030.db2.gz NFEUQKGYEKCEGK-CXAGYDPISA-N 2 0 380.330 2.976 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(Br)c1F ZINC000668041175 565623409 /nfs/dbraw/zinc/62/34/09/565623409.db2.gz MOKVSKRHXKOOEY-UHFFFAOYSA-N 2 0 393.276 2.684 20 0 GFADRP Cc1cccc(CC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1Br ZINC000625520826 565635330 /nfs/dbraw/zinc/63/53/30/565635330.db2.gz YFZAGEXBEPQRKZ-MRXNPFEDSA-N 2 0 394.357 2.585 20 0 GFADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000647493249 565661889 /nfs/dbraw/zinc/66/18/89/565661889.db2.gz XDJKLTQIIBYHDE-UHFFFAOYSA-N 2 0 395.370 2.910 20 0 GFADRP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040813 565672004 /nfs/dbraw/zinc/67/20/04/565672004.db2.gz MRWYDPBZAMKKNJ-ZVZYQTTQSA-N 2 0 385.346 2.566 20 0 GFADRP C[C@]([NH3+])(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000669519547 565691711 /nfs/dbraw/zinc/69/17/11/565691711.db2.gz IAYOYPQNXNRZQU-ZRGWGRIASA-N 2 0 394.357 2.861 20 0 GFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc4c(cc3Br)OCO4)C2)C1 ZINC000650705963 565833046 /nfs/dbraw/zinc/83/30/46/565833046.db2.gz BCUZVLDMNJRXBN-XNRPHZJLSA-N 2 0 397.313 2.896 20 0 GFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000673620153 565842742 /nfs/dbraw/zinc/84/27/42/565842742.db2.gz ILPHQEOZSQNAQY-UHFFFAOYSA-N 2 0 381.318 2.766 20 0 GFADRP C[NH+](C)CCN1CCC([NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631041031 565935127 /nfs/dbraw/zinc/93/51/27/565935127.db2.gz WRLKYKCZGOXMOH-UHFFFAOYSA-N 2 0 375.742 2.613 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Br)c1F ZINC000683479450 566202251 /nfs/dbraw/zinc/20/22/51/566202251.db2.gz FMEVVLVDYSRSFF-UHFFFAOYSA-N 2 0 394.716 2.807 20 0 GFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736453578 598898476 /nfs/dbraw/zinc/89/84/76/598898476.db2.gz QQQMQMAYSIFTOJ-INIZCTEOSA-N 2 0 399.543 2.638 20 0 GFADRP CC(C)[N@H+](C)CC1CC[NH+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)CC1 ZINC000735856945 599577085 /nfs/dbraw/zinc/57/70/85/599577085.db2.gz MLFSHQBPVJEKPU-UHFFFAOYSA-N 2 0 394.527 2.740 20 0 GFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617584 609327764 /nfs/dbraw/zinc/32/77/64/609327764.db2.gz IDLSXQJWDSKMKH-CQSZACIVSA-N 2 0 384.459 2.797 20 0 GFADRP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C1CC[NH+](C)CC1 ZINC000819739519 660268362 /nfs/dbraw/zinc/26/83/62/660268362.db2.gz JBAAFVXVNNTMLB-UHFFFAOYSA-N 2 0 397.361 2.727 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000832546044 660785262 /nfs/dbraw/zinc/78/52/62/660785262.db2.gz WURBKHLOENLUJU-UHFFFAOYSA-N 2 0 381.874 2.598 20 0 GFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269054723 654996383 /nfs/dbraw/zinc/99/63/83/654996383.db2.gz IXAHQNAOIJNYNX-ZFWWWQNUSA-N 2 0 378.485 2.690 20 0 GFADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000103500529 655073885 /nfs/dbraw/zinc/07/38/85/655073885.db2.gz PJOBDYJMYLJHEI-OAHLLOKOSA-N 2 0 384.307 2.899 20 0 GFADRP C[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)N1CC[NH+](C)CC1 ZINC000111384112 655172495 /nfs/dbraw/zinc/17/24/95/655172495.db2.gz QQWXTKPPUPJKIG-AWEZNQCLSA-N 2 0 392.345 2.565 20 0 GFADRP C[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)N1CC[NH+](C)CC1 ZINC000112373914 655190548 /nfs/dbraw/zinc/19/05/48/655190548.db2.gz ZKQGORFWMGXTBO-AWEZNQCLSA-N 2 0 392.345 2.565 20 0 GFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)cc1F ZINC000119700472 655311473 /nfs/dbraw/zinc/31/14/73/655311473.db2.gz RHVSNBVOAGQLTQ-UHFFFAOYSA-N 2 0 375.286 2.545 20 0 GFADRP C[C@@]([NH3+])(C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(Br)cc1 ZINC000261928687 655443058 /nfs/dbraw/zinc/44/30/58/655443058.db2.gz ZSDKNZWJEIMLCP-AEFFLSMTSA-N 2 0 380.330 2.614 20 0 GFADRP C[C@@H](C[NH2+]Cc1nc2ccc(Br)cc2s1)N1CC[NH+](C)CC1 ZINC000774994046 656582153 /nfs/dbraw/zinc/58/21/53/656582153.db2.gz WQTIEIVBVHNKOT-LBPRGKRZSA-N 2 0 383.359 2.784 20 0 GFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775394847 656636425 /nfs/dbraw/zinc/63/64/25/656636425.db2.gz HBJMBFAIJMYNFT-RYRKJORJSA-N 2 0 385.643 2.582 20 0 GFADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Br)cnc2Cl)CC1(C)C ZINC000842702758 661350135 /nfs/dbraw/zinc/35/01/35/661350135.db2.gz LQIMTJYFSBJXIB-UHFFFAOYSA-N 2 0 375.742 2.613 20 0 GFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000843340838 661378473 /nfs/dbraw/zinc/37/84/73/661378473.db2.gz FSZRVMOFUKGLOY-CQSZACIVSA-N 2 0 375.332 2.776 20 0 GFADRP Cc1cccc(Br)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017474 662671448 /nfs/dbraw/zinc/67/14/48/662671448.db2.gz AHIHMKGNZSEYLY-HUUCEWRRSA-N 2 0 382.346 2.569 20 0 GFADRP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(Br)s1 ZINC000870020880 662671618 /nfs/dbraw/zinc/67/16/18/662671618.db2.gz WGQYWRIKUCTUSR-CHWSQXEVSA-N 2 0 388.375 2.630 20 0 GFADRP [NH3+][C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000870945906 662710604 /nfs/dbraw/zinc/71/06/04/662710604.db2.gz OYQBOOBAZOFQTM-GVDBMIGSSA-N 2 0 392.272 2.541 20 0 GFADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C(F)(F)F ZINC000872152203 662757046 /nfs/dbraw/zinc/75/70/46/662757046.db2.gz OYYFSJPZKBUTPM-MFKMUULPSA-N 2 0 394.235 2.847 20 0 GFADRP C[NH+]1CCC2(CCN(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)CC2)CC1 ZINC000877191972 662872164 /nfs/dbraw/zinc/87/21/64/662872164.db2.gz FZCDKMDEALYWFE-SFHVURJKSA-N 2 0 394.357 2.957 20 0 GFADRP C[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000878215940 662891770 /nfs/dbraw/zinc/89/17/70/662891770.db2.gz BNNABKMIRHXABO-UHFFFAOYSA-N 2 0 380.330 2.628 20 0 GFADRP c1csc([C@H]2CC[NH+](CCOCC[N@@H+]3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319218 662957753 /nfs/dbraw/zinc/95/77/53/662957753.db2.gz CZVYHLNBGNNMOO-HOTGVXAUSA-N 2 0 378.567 2.895 20 0 GFADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)c1cccs1 ZINC000884177733 663066605 /nfs/dbraw/zinc/06/66/05/663066605.db2.gz RMBBTCLIIGGJBL-UKRRQHHQSA-N 2 0 382.327 2.930 20 0 GFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCn2cc(Br)ccc2=O)CC1 ZINC000886615877 663114781 /nfs/dbraw/zinc/11/47/81/663114781.db2.gz PSKZRGHTCXNDPY-UHFFFAOYSA-N 2 0 382.346 2.998 20 0 GFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1sc(N3CCOCC3)nc1Cl)CC2 ZINC000895440123 663514052 /nfs/dbraw/zinc/51/40/52/663514052.db2.gz OOLNKCWQIMWHRA-UHFFFAOYSA-N 2 0 384.977 2.941 20 0 GFADRP [NH3+]C1(c2noc(C3(c4ccc(Br)cc4)CC[NH2+]CC3)n2)CCC1 ZINC000900008218 663706356 /nfs/dbraw/zinc/70/63/56/663706356.db2.gz APERLCNKNPSOQN-UHFFFAOYSA-N 2 0 377.286 2.840 20 0 GFADRP O=C(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(Br)cc1 ZINC000903074564 663772437 /nfs/dbraw/zinc/77/24/37/663772437.db2.gz NQIWJFIPNIAOMY-ZNXRZULTSA-N 2 0 392.341 2.926 20 0 GFADRP Cc1c(C[C@H](C[NH3+])C[NH2+]CC2(c3ccccc3Br)CC2)cnn1C ZINC000903922969 663811695 /nfs/dbraw/zinc/81/16/95/663811695.db2.gz IMIOKCRUVCJWCK-OAHLLOKOSA-N 2 0 391.357 2.930 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000913159161 664326867 /nfs/dbraw/zinc/32/68/67/664326867.db2.gz KEQYYYPHLDVYJV-SJLPKXTDSA-N 2 0 388.339 2.559 20 0 GFADRP O[C@@H](C[NH+]1CCC(C[NH2+]Cc2nc(Br)c[nH]2)CC1)c1ccccc1 ZINC000921699159 664561728 /nfs/dbraw/zinc/56/17/28/664561728.db2.gz GPOWSNPMNDKNMD-INIZCTEOSA-N 2 0 393.329 2.707 20 0 GFADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(O)c1Br)C2 ZINC000922387842 664598162 /nfs/dbraw/zinc/59/81/62/664598162.db2.gz BHPRWQMJYPDEIK-WCZJQEMASA-N 2 0 383.330 2.724 20 0 GFADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000923371107 664629058 /nfs/dbraw/zinc/62/90/58/664629058.db2.gz OYPXZGKTSAKOJB-WPENSMPRSA-N 2 0 380.330 2.828 20 0 GFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923419758 664630246 /nfs/dbraw/zinc/63/02/46/664630246.db2.gz CDZSQYGBHGCCGB-GDLCADMTSA-N 2 0 377.710 2.558 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCC(=O)Nc1cccc(Br)c1)CC2 ZINC000923448457 664630677 /nfs/dbraw/zinc/63/06/77/664630677.db2.gz CIHOXBPYINXBNJ-INIZCTEOSA-N 2 0 396.329 2.608 20 0 GFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924656592 664659226 /nfs/dbraw/zinc/65/92/26/664659226.db2.gz BKCKJCJVIQKWQE-KRWDZBQOSA-N 2 0 381.362 2.839 20 0 GFADRP C[C@H](C[NH2+][C@H]1CCCc2ncc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000924954453 664664457 /nfs/dbraw/zinc/66/44/57/664664457.db2.gz WFYLZXOYYVLZHG-PBHICJAKSA-N 2 0 381.362 2.695 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925565929 664673111 /nfs/dbraw/zinc/67/31/11/664673111.db2.gz BFEYZJFYTOEOGG-CVEARBPZSA-N 2 0 380.330 2.657 20 0 GFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(Br)c1 ZINC000925852579 664676095 /nfs/dbraw/zinc/67/60/95/664676095.db2.gz CQGWIRHEBKESNB-JSGCOSHPSA-N 2 0 397.313 2.794 20 0 GFADRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)c(F)c1 ZINC000925855646 664676165 /nfs/dbraw/zinc/67/61/65/664676165.db2.gz LLEIOYAPPCDFRJ-WCQYABFASA-N 2 0 385.277 2.924 20 0 GFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C[NH+](C)C3CC3)cn1)C2 ZINC001164817511 720180077 /nfs/dbraw/zinc/18/00/77/720180077.db2.gz PQOQBJAGGSKSDO-NFBKMPQASA-N 2 0 384.568 2.861 20 0 GFADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164751076 720832773 /nfs/dbraw/zinc/83/27/73/720832773.db2.gz YIWIQAJMVVTINC-BBTUJRGHSA-N 2 0 391.523 2.842 20 0 GFADRP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(N(C)C)[nH+]3)C2)C1 ZINC001164775969 721336864 /nfs/dbraw/zinc/33/68/64/721336864.db2.gz BBCJCKXOXGTLKI-QFIPXVFZSA-N 2 0 399.539 2.871 20 0 GFADRP Cc1[nH+]c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)cc2[nH]ccc21 ZINC001164889540 721429467 /nfs/dbraw/zinc/42/94/67/721429467.db2.gz BMGYMCLOYRVAKP-AVRDEDQJSA-N 2 0 383.540 2.637 20 0 GFADRP Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164899346 721514090 /nfs/dbraw/zinc/51/40/90/721514090.db2.gz KVHBNNOMFQLBDH-ICSRJNTNSA-N 2 0 397.498 2.866 20 0 GFADRP Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc(N(C)C)[nH+]1 ZINC001165018726 721802673 /nfs/dbraw/zinc/80/26/73/721802673.db2.gz CEPKNSYIUBOJLK-SXLOBPIMSA-N 2 0 380.540 2.983 20 0 GFADRP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCSC1 ZINC000179126060 552185099 /nfs/dbraw/zinc/18/50/99/552185099.db2.gz XVIOPSLCJHCENS-SFHVURJKSA-N 2 0 381.973 2.858 20 0 GFADRP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCSC1 ZINC000179126046 552185119 /nfs/dbraw/zinc/18/51/19/552185119.db2.gz XVIOPSLCJHCENS-GOSISDBHSA-N 2 0 381.973 2.858 20 0 GFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cn2cc(Br)cn2)[C@@H](C)C1 ZINC000248157924 553127853 /nfs/dbraw/zinc/12/78/53/553127853.db2.gz RRAOKPACQXSWIC-UXLLHSPISA-N 2 0 387.366 2.761 20 0 GFADRP C[C@@]([NH3+])(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Br)cc1 ZINC000261761059 553158739 /nfs/dbraw/zinc/15/87/39/553158739.db2.gz NMFUMXDIGGIBTB-YJBOKZPZSA-N 2 0 380.330 2.756 20 0 GFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261788982 553159292 /nfs/dbraw/zinc/15/92/92/553159292.db2.gz PYBLBOKPDCDZPJ-KSSFIOAISA-N 2 0 382.346 2.860 20 0 GFADRP O=C(NC[C@@H]1CCC[N@@H+](Cc2sccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000262103682 553165864 /nfs/dbraw/zinc/16/58/64/553165864.db2.gz JCYDFNBEKZGKPM-GXTWGEPZSA-N 2 0 386.359 2.591 20 0 GFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000370486060 563245661 /nfs/dbraw/zinc/24/56/61/563245661.db2.gz VOHCDPXMWODYHX-NJAFHUGGSA-N 2 0 399.377 2.905 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422912084 563350690 /nfs/dbraw/zinc/35/06/90/563350690.db2.gz VINUSOOWATXPQK-UHFFFAOYSA-N 2 0 382.346 2.905 20 0 GFADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)COc1ccccc1Br ZINC000422937669 563351726 /nfs/dbraw/zinc/35/17/26/563351726.db2.gz JSHMEXKQXDUYGV-MUIFIZLQSA-N 2 0 383.330 2.699 20 0 GFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423012346 563353338 /nfs/dbraw/zinc/35/33/38/563353338.db2.gz KJZGCEZSLJGAMT-SUHUHFCYSA-N 2 0 381.826 2.865 20 0 GFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423109832 563355217 /nfs/dbraw/zinc/35/52/17/563355217.db2.gz VCSIMVOAHQOJLV-HZPDHXFCSA-N 2 0 387.977 2.909 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423162030 563357745 /nfs/dbraw/zinc/35/77/45/563357745.db2.gz OTWKHEZYKFDSKJ-VBQJREDUSA-N 2 0 385.346 2.716 20 0 GFADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2nc(C)c(Br)s2)CC[NH2+]CC1 ZINC000423162850 563357933 /nfs/dbraw/zinc/35/79/33/563357933.db2.gz UJHOJDRCSZOAEJ-NSHDSACASA-N 2 0 390.347 2.625 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2cccc(Br)c2)CC[NH2+]CC1 ZINC000423161776 563358078 /nfs/dbraw/zinc/35/80/78/563358078.db2.gz JQNRVVRTSZZUMX-CQSZACIVSA-N 2 0 383.330 2.903 20 0 GFADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)cc1F ZINC000423448219 563361057 /nfs/dbraw/zinc/36/10/57/563361057.db2.gz DWKWMXZZPGOWFA-LSKLOWJMSA-N 2 0 398.320 2.886 20 0 GFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423445472 563361219 /nfs/dbraw/zinc/36/12/19/563361219.db2.gz XWJZEMBIESYJGS-FZMZJTMJSA-N 2 0 375.332 2.775 20 0 GFADRP C[N@@H+]1CCN(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1(C)C ZINC000282255830 563403893 /nfs/dbraw/zinc/40/38/93/563403893.db2.gz GVVJISXESCHSOO-UHFFFAOYSA-N 2 0 394.357 2.841 20 0 GFADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)[C@@H]1c1cccc(Cl)c1 ZINC000376694173 563450714 /nfs/dbraw/zinc/45/07/14/563450714.db2.gz FJHYBRKQSYULOE-AYBZRNKSSA-N 2 0 381.973 2.934 20 0 GFADRP COc1ccc(Br)c(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000289393008 563673668 /nfs/dbraw/zinc/67/36/68/563673668.db2.gz FHHTZKLGUFWTGO-UHFFFAOYSA-N 2 0 396.373 2.917 20 0 GFADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000414065346 563717153 /nfs/dbraw/zinc/71/71/53/563717153.db2.gz OGSGSNYBQUQQMJ-CQSZACIVSA-N 2 0 378.314 2.851 20 0 GFADRP CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670025 563748981 /nfs/dbraw/zinc/74/89/81/563748981.db2.gz CNDITHTURLUVMB-INIZCTEOSA-N 2 0 382.346 2.857 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414693808 563749992 /nfs/dbraw/zinc/74/99/92/563749992.db2.gz NCBYLDGHCRYWLL-DYVFJYSZSA-N 2 0 386.323 2.564 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)C1 ZINC000414757175 563751728 /nfs/dbraw/zinc/75/17/28/563751728.db2.gz SASHIJBEORLQSN-SUMWQHHRSA-N 2 0 398.320 2.922 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741674 563752054 /nfs/dbraw/zinc/75/20/54/563752054.db2.gz FMEVWRSVOYKDEA-HIFRSBDPSA-N 2 0 386.323 2.644 20 0 GFADRP CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414769830 563752963 /nfs/dbraw/zinc/75/29/63/563752963.db2.gz XJDZIZCJNWCWLZ-OCCSQVGLSA-N 2 0 388.375 2.837 20 0 GFADRP C[C@]1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCC[NH2+]C1 ZINC000414920276 563754413 /nfs/dbraw/zinc/75/44/13/563754413.db2.gz YWMUIUQKFOZIQD-SFHVURJKSA-N 2 0 382.346 2.765 20 0 GFADRP Cc1cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Br ZINC000414986611 563756227 /nfs/dbraw/zinc/75/62/27/563756227.db2.gz NVKYWZXBDSZFGA-AWEZNQCLSA-N 2 0 380.252 2.683 20 0 GFADRP Cc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Br ZINC000414997628 563757099 /nfs/dbraw/zinc/75/70/99/563757099.db2.gz YLVMHTVGZZRBJV-AWEZNQCLSA-N 2 0 380.252 2.683 20 0 GFADRP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415049703 563757791 /nfs/dbraw/zinc/75/77/91/563757791.db2.gz XWPSVPHFGQCXOE-HIFRSBDPSA-N 2 0 399.329 2.916 20 0 GFADRP CCS(=O)(=O)CCCCC[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000365278286 563779241 /nfs/dbraw/zinc/77/92/41/563779241.db2.gz KRKKDZXNRDSIDK-CRAIPNDOSA-N 2 0 387.615 2.857 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000449746520 564199674 /nfs/dbraw/zinc/19/96/74/564199674.db2.gz SDUVEKQMBZJUCS-UHFFFAOYSA-N 2 0 384.362 2.963 20 0 GFADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000564847395 564252790 /nfs/dbraw/zinc/25/27/90/564252790.db2.gz CHWIPLZKOVUBDP-MRXNPFEDSA-N 2 0 389.309 2.649 20 0 GFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]21 ZINC000566562204 564332637 /nfs/dbraw/zinc/33/26/37/564332637.db2.gz OKWKKVIJSBOONJ-YYQUZTFQSA-N 2 0 378.314 2.614 20 0 GFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000567652891 564381368 /nfs/dbraw/zinc/38/13/68/564381368.db2.gz GWYKCGYZDXUXAF-IRCOFANPSA-N 2 0 392.352 2.680 20 0 GFADRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000513698122 564436709 /nfs/dbraw/zinc/43/67/09/564436709.db2.gz WTRZCRYZNJYWOV-IKGGRYGDSA-N 2 0 380.330 2.641 20 0 GFADRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000513698125 564437036 /nfs/dbraw/zinc/43/70/36/564437036.db2.gz WTRZCRYZNJYWOV-YESZJQIVSA-N 2 0 380.330 2.641 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453339451 564454099 /nfs/dbraw/zinc/45/40/99/564454099.db2.gz BVIHKJRZIWXAAB-ZQIUZPCESA-N 2 0 385.346 2.681 20 0 GFADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000481061579 564502237 /nfs/dbraw/zinc/50/22/37/564502237.db2.gz PFUQWQHGSDOEHR-SJLPKXTDSA-N 2 0 384.615 2.868 20 0 GFADRP C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000519597197 564583758 /nfs/dbraw/zinc/58/37/58/564583758.db2.gz QISSHUQGDJDLTB-BLLLJJGKSA-N 2 0 387.293 2.568 20 0 GFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000572393429 564593180 /nfs/dbraw/zinc/59/31/80/564593180.db2.gz JTDCDEVTUIWHSX-CJNGLKHVSA-N 2 0 389.309 2.649 20 0 GFADRP CC[NH+](CC)CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456383213 564604471 /nfs/dbraw/zinc/60/44/71/564604471.db2.gz YZXYRVCWIQHUEO-CQSZACIVSA-N 2 0 397.361 2.870 20 0 GFADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000551266636 564644881 /nfs/dbraw/zinc/64/48/81/564644881.db2.gz BQKUYWXYROWDAN-ZDUSSCGKSA-N 2 0 396.304 2.990 20 0 GFADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000575248353 564695263 /nfs/dbraw/zinc/69/52/63/564695263.db2.gz FCNKJPFRHHBYQH-RBUKOAKNSA-N 2 0 379.957 2.689 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527658358 564753450 /nfs/dbraw/zinc/75/34/50/564753450.db2.gz XPIRORNZRWUEMT-GFCCVEGCSA-N 2 0 398.374 2.626 20 0 GFADRP C[NH+](C)C[C@@H](NC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000529390264 564833167 /nfs/dbraw/zinc/83/31/67/564833167.db2.gz YEKFVJKPBXAPHO-AEFFLSMTSA-N 2 0 385.339 2.991 20 0 GFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cnc2ccc(Br)cn12 ZINC000561970651 565014638 /nfs/dbraw/zinc/01/46/38/565014638.db2.gz PAIDJDHAEWXFKR-UHFFFAOYSA-N 2 0 396.377 2.802 20 0 GFADRP C[C@@H](C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000470001851 565034673 /nfs/dbraw/zinc/03/46/73/565034673.db2.gz DTKZTYGHOWEVLP-RDJZCZTQSA-N 2 0 394.357 2.696 20 0 GFADRP O=C([C@@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1)N1CC[NH2+]CC1 ZINC000470004566 565034881 /nfs/dbraw/zinc/03/48/81/565034881.db2.gz ZKQIUEKAKSOSFV-CQSZACIVSA-N 2 0 376.551 2.515 20 0 GFADRP COCCC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000584346014 565076765 /nfs/dbraw/zinc/07/67/65/565076765.db2.gz OVWIWBDWTKQYFB-INIZCTEOSA-N 2 0 391.339 2.824 20 0 GFADRP C[C@]([NH3+])(C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1 ZINC000662835002 565387530 /nfs/dbraw/zinc/38/75/30/565387530.db2.gz JZHCRLUQAOLLMB-XYJFISCASA-N 2 0 380.330 2.756 20 0 GFADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000663501875 565423216 /nfs/dbraw/zinc/42/32/16/565423216.db2.gz BPPFJEFHFNISIY-UHFFFAOYSA-N 2 0 386.309 2.668 20 0 GFADRP COc1cc(Br)c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc1O ZINC000668474922 565648759 /nfs/dbraw/zinc/64/87/59/565648759.db2.gz IPBZIJSKOIOGNP-ZDUSSCGKSA-N 2 0 388.350 2.525 20 0 GFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc4c(c(Br)c3)OCO4)C2)C1 ZINC000650705667 565832753 /nfs/dbraw/zinc/83/27/53/565832753.db2.gz PNTHWDYUORVKIX-IIAWOOMASA-N 2 0 397.313 2.896 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc4c(c(Br)c3)OCO4)C2)C1 ZINC000650705668 565833059 /nfs/dbraw/zinc/83/30/59/565833059.db2.gz PNTHWDYUORVKIX-LZWOXQAQSA-N 2 0 397.313 2.896 20 0 GFADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccncc2Br)CC1 ZINC000631086547 565940401 /nfs/dbraw/zinc/94/04/01/565940401.db2.gz YGLAUWBJPSOTNI-UHFFFAOYSA-N 2 0 397.361 2.560 20 0 GFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679340557 566038690 /nfs/dbraw/zinc/03/86/90/566038690.db2.gz FDNLTIMERGHHKI-ATZDWAIDSA-N 2 0 396.373 2.895 20 0 GFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736453580 598898856 /nfs/dbraw/zinc/89/88/56/598898856.db2.gz QQQMQMAYSIFTOJ-MRXNPFEDSA-N 2 0 399.543 2.638 20 0 GFADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736454458 598898916 /nfs/dbraw/zinc/89/89/16/598898916.db2.gz ZSMWQWINVOUDDK-UHFFFAOYSA-N 2 0 399.543 2.639 20 0 GFADRP C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000736137347 598285782 /nfs/dbraw/zinc/28/57/82/598285782.db2.gz WVZBHGUEAAAFOG-HNNXBMFYSA-N 2 0 395.486 2.608 20 0 GFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000825870346 608501966 /nfs/dbraw/zinc/50/19/66/608501966.db2.gz IAAYATJTCXDBOH-NRFANRHFSA-N 2 0 392.507 2.974 20 0 GFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824625451 609138570 /nfs/dbraw/zinc/13/85/70/609138570.db2.gz IHUMPOMESNIZML-AWEZNQCLSA-N 2 0 384.459 2.797 20 0 GFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824605179 609141050 /nfs/dbraw/zinc/14/10/50/609141050.db2.gz GEQUMKCQCGRHNU-HNNXBMFYSA-N 2 0 398.486 2.840 20 0 GFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576506 660201216 /nfs/dbraw/zinc/20/12/16/660201216.db2.gz SUIGDTVKARBHFE-DOMZBBRYSA-N 2 0 387.391 2.972 20 0 GFADRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)c3cccc(Br)c3)CC2)CC1 ZINC000818988197 660241858 /nfs/dbraw/zinc/24/18/58/660241858.db2.gz LYACWPASVWZYRC-LJQANCHMSA-N 2 0 396.373 2.631 20 0 GFADRP COc1cc2[nH+]ccc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c2cc1Br ZINC000819910870 660274413 /nfs/dbraw/zinc/27/44/13/660274413.db2.gz BVGUGZRWAREVME-CHWSQXEVSA-N 2 0 392.297 2.703 20 0 GFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(C)nc1I ZINC000894180044 663446994 /nfs/dbraw/zinc/44/69/94/663446994.db2.gz IMEXPNPVARIDPC-ZDUSSCGKSA-N 2 0 390.313 2.769 20 0 GFADRP CC[NH+]1CCC([NH2+]CCCNC(=O)c2cc(OC)ccc2Br)CC1 ZINC000268923194 654991259 /nfs/dbraw/zinc/99/12/59/654991259.db2.gz PDWCLLHBXHTLMJ-UHFFFAOYSA-N 2 0 398.345 2.652 20 0 GFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000274732279 655199257 /nfs/dbraw/zinc/19/92/57/655199257.db2.gz BGFRPNRSJGAZCV-OAHLLOKOSA-N 2 0 376.950 2.580 20 0 GFADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000848599028 661666922 /nfs/dbraw/zinc/66/69/22/661666922.db2.gz ATZHRRYYVIOTOU-LBPRGKRZSA-N 2 0 381.307 2.829 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2F)C[C@H]1C[NH+](C)C ZINC000870016566 662671359 /nfs/dbraw/zinc/67/13/59/662671359.db2.gz OGPLZLKFXVOZGA-VXGBXAGGSA-N 2 0 376.303 2.944 20 0 GFADRP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000870021207 662671606 /nfs/dbraw/zinc/67/16/06/662671606.db2.gz CJHSXXBCHJQNBI-DJIMGWMZSA-N 2 0 396.373 2.750 20 0 GFADRP Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(Br)c1 ZINC000870021237 662671626 /nfs/dbraw/zinc/67/16/26/662671626.db2.gz CTOTZXUPCUGEFI-HUUCEWRRSA-N 2 0 382.346 2.569 20 0 GFADRP COCC[N@H+](C[C@@H](O)c1ccc(Br)cc1)CC1CC[NH+](C)CC1 ZINC000879125029 662917995 /nfs/dbraw/zinc/91/79/95/662917995.db2.gz MVVRIQMEPFCQED-GOSISDBHSA-N 2 0 385.346 2.773 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cscc2Br)C[C@H]1C[NH+](C)C ZINC000879744149 662938486 /nfs/dbraw/zinc/93/84/86/662938486.db2.gz ZYJOJPIJJPDHOD-VXGBXAGGSA-N 2 0 389.363 2.714 20 0 GFADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884180817 663066598 /nfs/dbraw/zinc/06/65/98/663066598.db2.gz LCZPAIYCRQZYKX-KRWDZBQOSA-N 2 0 376.298 2.827 20 0 GFADRP [NH3+][C@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccc(Br)cc1 ZINC000884409865 663070376 /nfs/dbraw/zinc/07/03/76/663070376.db2.gz UUANZISPNDJWSG-IRXDYDNUSA-N 2 0 390.281 2.749 20 0 GFADRP Cn1nc(Br)nc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000895447526 663514801 /nfs/dbraw/zinc/51/48/01/663514801.db2.gz XUFIMGDWXYIJHS-UHFFFAOYSA-N 2 0 392.345 2.970 20 0 GFADRP Brc1cnn(C2(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC000896912034 663581417 /nfs/dbraw/zinc/58/14/17/663581417.db2.gz OYGSKFSWGZOKFF-UHFFFAOYSA-N 2 0 376.302 2.788 20 0 GFADRP O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903737194 663805501 /nfs/dbraw/zinc/80/55/01/663805501.db2.gz QHFCTGWBSLWKHI-AWEZNQCLSA-N 2 0 395.345 2.884 20 0 GFADRP C[C@H]([NH3+])C1CCN(C(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)CC1 ZINC000911754647 664255443 /nfs/dbraw/zinc/25/54/43/664255443.db2.gz VXXZRLTUDJPKGA-AWEZNQCLSA-N 2 0 394.357 2.656 20 0 GFADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000917657013 664487954 /nfs/dbraw/zinc/48/79/54/664487954.db2.gz MPUXNGLTFARKCJ-GDNBJRDFSA-N 2 0 385.961 2.598 20 0 GFADRP Cc1cc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388203 664598191 /nfs/dbraw/zinc/59/81/91/664598191.db2.gz CVVGPDPHFLZRIE-ZJPYXAASSA-N 2 0 382.346 2.722 20 0 GFADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(O)ccc1Br)C2 ZINC000922390037 664598430 /nfs/dbraw/zinc/59/84/30/664598430.db2.gz ZRLIXLYDEZEITB-BDXSIMOUSA-N 2 0 383.330 2.724 20 0 GFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Cl)cc3Br)C[C@H]12 ZINC000923331688 664628450 /nfs/dbraw/zinc/62/84/50/664628450.db2.gz HUZWSMITTBBVTI-GVUJHPQVSA-N 2 0 389.721 2.511 20 0 GFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923332106 664628460 /nfs/dbraw/zinc/62/84/60/664628460.db2.gz OXOXYMFZLBNZFT-LOWVWBTDSA-N 2 0 377.710 2.511 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923363377 664628925 /nfs/dbraw/zinc/62/89/25/664628925.db2.gz VFFQKZAQERUWAK-KYJSFNMBSA-N 2 0 389.323 2.561 20 0 GFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924672141 664659361 /nfs/dbraw/zinc/65/93/61/664659361.db2.gz SJJCUUCJOJPYEJ-YOEHRIQHSA-N 2 0 381.362 2.837 20 0 GFADRP [NH3+]C1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000925811676 664675271 /nfs/dbraw/zinc/67/52/71/664675271.db2.gz JXWAQIBDWWKXEA-MSOLQXFVSA-N 2 0 382.346 2.682 20 0 GFADRP Cc1cc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)oc1Br ZINC000931217784 664788686 /nfs/dbraw/zinc/78/86/86/664788686.db2.gz YUZUDVODDPZJGG-UHFFFAOYSA-N 2 0 384.318 2.639 20 0 GFADRP Clc1nc2c(c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n1)C[NH2+]CC2 ZINC001164626190 719053476 /nfs/dbraw/zinc/05/34/76/719053476.db2.gz QYBNYAMTTRZHQI-QFBILLFUSA-N 2 0 383.927 2.877 20 0 GFADRP [NH3+]C1CCN(c2ccnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164626086 719087715 /nfs/dbraw/zinc/08/77/15/719087715.db2.gz IDLZFBSZAIIQBH-PZJWPPBQSA-N 2 0 392.551 2.505 20 0 GFADRP CC(C)[N@H+]1[C@@H]2CCN(c3cc(-n4ccnc4)cc[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841475 720628710 /nfs/dbraw/zinc/62/87/10/720628710.db2.gz SFSBNPDVJMDCJX-HLAWJBBLSA-N 2 0 391.523 2.842 20 0 GFADRP c1ccc(N(c2ncccc2C[NH+]2CCCC2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)nc1 ZINC001164958150 722051276 /nfs/dbraw/zinc/05/12/76/722051276.db2.gz DBPYJLXLLZNFSI-CZTZKLFOSA-N 2 0 393.535 2.978 20 0 GFADRP O=C(NCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000166426809 551631635 /nfs/dbraw/zinc/63/16/35/551631635.db2.gz DXHPXNCNRSUJDX-IAGOWNOFSA-N 2 0 380.330 2.785 20 0 GFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Br)s1 ZINC000168903303 551634962 /nfs/dbraw/zinc/63/49/62/551634962.db2.gz LYNIXXULGAXOTN-AWEZNQCLSA-N 2 0 390.391 2.551 20 0 GFADRP C[C@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000178771407 552175093 /nfs/dbraw/zinc/17/50/93/552175093.db2.gz ZJKVWMCRPHGBDO-PBHICJAKSA-N 2 0 382.346 2.888 20 0 GFADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000246175320 553103717 /nfs/dbraw/zinc/10/37/17/553103717.db2.gz FYCFRXJVGNRSBM-CVEARBPZSA-N 2 0 385.936 2.655 20 0 GFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261718886 553157558 /nfs/dbraw/zinc/15/75/58/553157558.db2.gz JVFNIGPPAOSPFS-HBUWYVDXSA-N 2 0 382.346 2.860 20 0 GFADRP C[C@]([NH3+])(C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1ccc(Br)cc1 ZINC000261761656 553158420 /nfs/dbraw/zinc/15/84/20/553158420.db2.gz JSZCVIMBIFDGEA-MEDUHNTESA-N 2 0 395.326 2.534 20 0 GFADRP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422900799 563349556 /nfs/dbraw/zinc/34/95/56/563349556.db2.gz AWRUHVMCZSJPGN-IAGOWNOFSA-N 2 0 398.345 2.827 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2nc(C(F)(F)F)cs2)CC[NH2+]CC1 ZINC000422807024 563349970 /nfs/dbraw/zinc/34/99/70/563349970.db2.gz LPGYFEIGOJBTCZ-LLVKDONJSA-N 2 0 379.448 2.615 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccccc2Br)CC[NH2+]CC1 ZINC000422831679 563350188 /nfs/dbraw/zinc/35/01/88/563350188.db2.gz TVEJXCSWJJDKLR-CQSZACIVSA-N 2 0 383.330 2.903 20 0 GFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCOc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000422943064 563351400 /nfs/dbraw/zinc/35/14/00/563351400.db2.gz JUMHOEYMVRFJIJ-CQSZACIVSA-N 2 0 399.329 2.739 20 0 GFADRP CCn1ccnc1[C@H]([NH2+]CCCC[NH3+])c1ccc(I)cc1 ZINC000423342540 563360357 /nfs/dbraw/zinc/36/03/57/563360357.db2.gz YXMFOCDDKXOAAZ-OAHLLOKOSA-N 2 0 398.292 2.926 20 0 GFADRP Cc1cc(Br)cc(C)c1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433132095 563604064 /nfs/dbraw/zinc/60/40/64/563604064.db2.gz LSVHZNWYJVZFSY-UHFFFAOYSA-N 2 0 382.346 2.885 20 0 GFADRP [NH3+]C1CC[NH+](CCCC(=O)NC2(c3cccc(Br)c3)CC2)CC1 ZINC000433165200 563605000 /nfs/dbraw/zinc/60/50/00/563605000.db2.gz UEIUFWIBXXKHBB-UHFFFAOYSA-N 2 0 380.330 2.758 20 0 GFADRP COc1ccc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1Br ZINC000433148111 563605171 /nfs/dbraw/zinc/60/51/71/563605171.db2.gz FUXDMDPIGFSPCP-ZDUSSCGKSA-N 2 0 398.345 2.838 20 0 GFADRP CC[N@H+](CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)CCC(F)(F)F ZINC000412283584 563652493 /nfs/dbraw/zinc/65/24/93/563652493.db2.gz IIJBJUCXKXDMOQ-OAHLLOKOSA-N 2 0 381.508 2.594 20 0 GFADRP CC[NH+]1CCN(CCCC[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289835494 563688789 /nfs/dbraw/zinc/68/87/89/563688789.db2.gz JZMWJTRNPPBROO-UHFFFAOYSA-N 2 0 394.361 2.604 20 0 GFADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1Br ZINC000414179252 563722012 /nfs/dbraw/zinc/72/20/12/563722012.db2.gz ADEQNVDGEQMCNU-INIZCTEOSA-N 2 0 396.373 2.896 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000414681729 563749945 /nfs/dbraw/zinc/74/99/45/563749945.db2.gz WQYVMDJMDQOZFG-HNNXBMFYSA-N 2 0 380.330 2.611 20 0 GFADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000414851437 563753628 /nfs/dbraw/zinc/75/36/28/563753628.db2.gz UIIPVYSQLQZYOB-MRXNPFEDSA-N 2 0 380.330 2.704 20 0 GFADRP C[NH+]1CCN(CCC[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449222403 563908169 /nfs/dbraw/zinc/90/81/69/563908169.db2.gz WKZQEKCDEJWSQL-UHFFFAOYSA-N 2 0 377.330 2.724 20 0 GFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(C)c1Cl ZINC000538317285 564188505 /nfs/dbraw/zinc/18/85/05/564188505.db2.gz AOJVXRPRVHLPPH-INIZCTEOSA-N 2 0 387.977 2.685 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(Br)c1 ZINC000505772755 564189866 /nfs/dbraw/zinc/18/98/66/564189866.db2.gz MRJQNJQJBGGEMU-GOSISDBHSA-N 2 0 396.373 2.866 20 0 GFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511045882 564355017 /nfs/dbraw/zinc/35/50/17/564355017.db2.gz JCLYSOFSTXUKTN-DVOMOZLQSA-N 2 0 388.293 2.988 20 0 GFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2ccccc2Br)CC1 ZINC000451987262 564376170 /nfs/dbraw/zinc/37/61/70/564376170.db2.gz OFGBSBAIEFUSGH-UHFFFAOYSA-N 2 0 384.362 2.834 20 0 GFADRP Ic1cnc(C[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000511756768 564380994 /nfs/dbraw/zinc/38/09/94/564380994.db2.gz NRVGFTVOWYHSQU-UHFFFAOYSA-N 2 0 377.295 2.712 20 0 GFADRP Cc1c(Br)cccc1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000568779236 564433953 /nfs/dbraw/zinc/43/39/53/564433953.db2.gz XSVMGPZIPXUCTK-UHFFFAOYSA-N 2 0 397.361 2.583 20 0 GFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453090245 564447154 /nfs/dbraw/zinc/44/71/54/564447154.db2.gz BVRRVEFTDHZZRS-KXBFYZLASA-N 2 0 380.374 2.996 20 0 GFADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000453346465 564453993 /nfs/dbraw/zinc/45/39/93/564453993.db2.gz FKSCMFKNOSVHBN-ZXFNITATSA-N 2 0 399.373 2.927 20 0 GFADRP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000453387114 564456207 /nfs/dbraw/zinc/45/62/07/564456207.db2.gz WBTCXEXDUNJOIN-BPUTZDHNSA-N 2 0 385.346 2.681 20 0 GFADRP C[C@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C[NH+]1CCCC1 ZINC000569715485 564475228 /nfs/dbraw/zinc/47/52/28/564475228.db2.gz MDAMQJJPXNFRFU-CJNGLKHVSA-N 2 0 389.309 2.649 20 0 GFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000570827336 564523036 /nfs/dbraw/zinc/52/30/36/564523036.db2.gz QLVNXCUFXCGVLR-KBPBESRZSA-N 2 0 389.359 2.861 20 0 GFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCn2cc(Br)cn2)[C@@H](C)C1 ZINC000490404406 564769730 /nfs/dbraw/zinc/76/97/30/564769730.db2.gz RFMFIHCZGUOHPW-DOTOQJQBSA-N 2 0 387.366 2.762 20 0 GFADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)CC2 ZINC000493977360 564815347 /nfs/dbraw/zinc/81/53/47/564815347.db2.gz NMHOGJAMTCOUSC-RDJZCZTQSA-N 2 0 394.357 2.922 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584173254 564924468 /nfs/dbraw/zinc/92/44/68/564924468.db2.gz GADJOBBFBSJRMF-CVEARBPZSA-N 2 0 394.357 2.729 20 0 GFADRP C[C@]([NH3+])(C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccc(Br)cc1 ZINC000638669138 565207339 /nfs/dbraw/zinc/20/73/39/565207339.db2.gz ZUQPYOPLESQUQO-GOSISDBHSA-N 2 0 390.281 2.744 20 0 GFADRP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639762886 565257965 /nfs/dbraw/zinc/25/79/65/565257965.db2.gz OMZJEWKVFOWDAM-UHFFFAOYSA-N 2 0 394.357 2.825 20 0 GFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000644595300 565484235 /nfs/dbraw/zinc/48/42/35/565484235.db2.gz WYBKYCXVXXYJCH-MRXNPFEDSA-N 2 0 384.307 2.850 20 0 GFADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC000666701986 565553923 /nfs/dbraw/zinc/55/39/23/565553923.db2.gz VYOSKBRTANPPFO-RHSMWYFYSA-N 2 0 380.330 2.783 20 0 GFADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)nc12 ZINC000647794225 565676590 /nfs/dbraw/zinc/67/65/90/565676590.db2.gz VHEYYMAMZAWFMX-SQWLQELKSA-N 2 0 377.330 2.925 20 0 GFADRP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc(Br)c1 ZINC000647795257 565676702 /nfs/dbraw/zinc/67/67/02/565676702.db2.gz MNASOFVIOHPPPB-TZDHZFECSA-N 2 0 378.314 2.532 20 0 GFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000650762121 565834232 /nfs/dbraw/zinc/83/42/32/565834232.db2.gz UEARDDMPSHIZRD-JTQLQIEISA-N 2 0 380.341 2.681 20 0 GFADRP O=S1(=O)CC[C@H]([NH2+]CCC2CC[NH2+]CC2)c2cc(Br)ccc21 ZINC000650762480 565834391 /nfs/dbraw/zinc/83/43/91/565834391.db2.gz BKQWAAYHTNDRAL-HNNXBMFYSA-N 2 0 387.343 2.647 20 0 GFADRP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629539034 565857668 /nfs/dbraw/zinc/85/76/68/565857668.db2.gz PSRPFFLPFCFTMP-OWQGQXMQSA-N 2 0 378.314 2.763 20 0 GFADRP Cc1ccc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)cc1Br ZINC000634687086 566170211 /nfs/dbraw/zinc/17/02/11/566170211.db2.gz XXLQXDYHSYPASU-UHFFFAOYSA-N 2 0 396.373 2.644 20 0 GFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ncc(Br)cc1F ZINC000635011217 566188434 /nfs/dbraw/zinc/18/84/34/566188434.db2.gz YHRPGRGLPKKBBE-LLVKDONJSA-N 2 0 380.265 2.961 20 0 GFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000735856985 599485796 /nfs/dbraw/zinc/48/57/96/599485796.db2.gz NNSWKMKZWNKELD-UHFFFAOYSA-N 2 0 390.495 2.644 20 0 GFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824929185 608282589 /nfs/dbraw/zinc/28/25/89/608282589.db2.gz WYWQLMJJRFAXOM-APWZRJJASA-N 2 0 384.528 2.878 20 0 GFADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826157945 608377837 /nfs/dbraw/zinc/37/78/37/608377837.db2.gz SGWQILMUFXNZTH-QGZVFWFLSA-N 2 0 386.544 2.998 20 0 GFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C[C@@H](C)O1 ZINC000824983727 608505102 /nfs/dbraw/zinc/50/51/02/608505102.db2.gz BZFUKCHUCXVYEL-QINHECLXSA-N 2 0 384.528 2.723 20 0 GFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824625452 609138602 /nfs/dbraw/zinc/13/86/02/609138602.db2.gz IHUMPOMESNIZML-CQSZACIVSA-N 2 0 384.459 2.797 20 0 GFADRP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000819084760 660246083 /nfs/dbraw/zinc/24/60/83/660246083.db2.gz OONSLQJTQPEHKX-RDTXWAMCSA-N 2 0 383.330 2.573 20 0 GFADRP CCc1ccc(Br)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000827892991 660521787 /nfs/dbraw/zinc/52/17/87/660521787.db2.gz ZIJSNGTUEXDZEF-HZPDHXFCSA-N 2 0 396.373 2.823 20 0 GFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000124962072 654784853 /nfs/dbraw/zinc/78/48/53/654784853.db2.gz QYCUQKVFTLFISL-GOEBONIOSA-N 2 0 395.345 2.979 20 0 GFADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)ccc1S(=O)(=O)C(F)F ZINC000126298845 654812346 /nfs/dbraw/zinc/81/23/46/654812346.db2.gz VZONHCBLEXMTFA-LBPRGKRZSA-N 2 0 376.469 2.684 20 0 GFADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cc(Br)ncc1F)N1CC[NH+](C)CC1 ZINC000273831744 655160169 /nfs/dbraw/zinc/16/01/69/655160169.db2.gz GDIPPXKCANPLBG-BBRMVZONSA-N 2 0 387.341 2.906 20 0 GFADRP C[C@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)N1CC[NH+](C)CC1 ZINC000112373916 655190392 /nfs/dbraw/zinc/19/03/92/655190392.db2.gz ZKQGORFWMGXTBO-CQSZACIVSA-N 2 0 392.345 2.565 20 0 GFADRP Cc1ccc(F)c(Br)c1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000579679103 655502175 /nfs/dbraw/zinc/50/21/75/655502175.db2.gz XOTZDCRKFJNBDO-UHFFFAOYSA-N 2 0 389.313 2.854 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)c(Cl)n1C ZINC000750735604 655816755 /nfs/dbraw/zinc/81/67/55/655816755.db2.gz ZDMMFECKLDTWBS-CYBMUJFWSA-N 2 0 375.344 2.820 20 0 GFADRP Cc1cc(Br)cc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000774995341 656582779 /nfs/dbraw/zinc/58/27/79/656582779.db2.gz BHYFWWHINNZDSC-KRWDZBQOSA-N 2 0 384.362 2.940 20 0 GFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc(Br)cnc3Cl)C2)CC1 ZINC000842680308 661348863 /nfs/dbraw/zinc/34/88/63/661348863.db2.gz OZEQYESKQBXRGD-CQSZACIVSA-N 2 0 387.753 2.756 20 0 GFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2nc3ccccn3c2Br)C1 ZINC000844912381 661449009 /nfs/dbraw/zinc/44/90/09/661449009.db2.gz SZAPWYGJDYUWBY-BMFZPTHFSA-N 2 0 393.329 2.958 20 0 GFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(Cl)sc1Cl ZINC000847418780 661591708 /nfs/dbraw/zinc/59/17/08/661591708.db2.gz KHZDMIGBFRLULO-LLVKDONJSA-N 2 0 379.357 2.938 20 0 GFADRP C[C@H]([NH3+])CCNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000857110759 662063662 /nfs/dbraw/zinc/06/36/62/662063662.db2.gz WJQJQJXFAPMWKW-AWEZNQCLSA-N 2 0 397.361 2.792 20 0 GFADRP C[C@H](c1ccccc1Br)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549560 662336278 /nfs/dbraw/zinc/33/62/78/662336278.db2.gz FZTVGGDVELZDML-JLZZUVOBSA-N 2 0 394.313 2.767 20 0 GFADRP Cn1ncc(Br)c1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865774034 662442803 /nfs/dbraw/zinc/44/28/03/662442803.db2.gz NREAZXPKKQZIIT-UHFFFAOYSA-N 2 0 377.330 2.936 20 0 GFADRP COc1cc(Cl)c(Cl)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020815 662671412 /nfs/dbraw/zinc/67/14/12/662671412.db2.gz USRCODNXDXTQEI-CHWSQXEVSA-N 2 0 388.339 2.813 20 0 GFADRP C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccccc2Br)C[C@H]1C[NH+](C)C ZINC000870023227 662671644 /nfs/dbraw/zinc/67/16/44/662671644.db2.gz OUYHWEYKTKSJLS-IAGOWNOFSA-N 2 0 396.373 2.580 20 0 GFADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872038187 662754441 /nfs/dbraw/zinc/75/44/41/662754441.db2.gz LFSNAEHEQLAODD-DOTOQJQBSA-N 2 0 383.330 2.573 20 0 GFADRP CN1CC[NH+](CCCC[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000876928810 662868245 /nfs/dbraw/zinc/86/82/45/662868245.db2.gz OTOWYFPHZSTJGQ-UHFFFAOYSA-N 2 0 375.742 2.615 20 0 GFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)c1ccc(Br)cc1 ZINC000878287399 662893180 /nfs/dbraw/zinc/89/31/80/662893180.db2.gz AYPGDCVHJSLMPN-TVFCKZIOSA-N 2 0 383.330 2.666 20 0 GFADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884229915 663067450 /nfs/dbraw/zinc/06/74/50/663067450.db2.gz DMVVIQXHVPPRDW-RHSMWYFYSA-N 2 0 380.330 2.639 20 0 GFADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884346020 663069475 /nfs/dbraw/zinc/06/94/75/663069475.db2.gz WPTNIRCDCQPWCR-HZPDHXFCSA-N 2 0 380.330 2.686 20 0 GFADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2CCc3cc(Br)ccc32)cnn1C ZINC000903925267 663812063 /nfs/dbraw/zinc/81/20/63/663812063.db2.gz MTPBKTZOKSPKEH-SCLBCKFNSA-N 2 0 377.330 2.886 20 0 GFADRP C[C@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@H]1C[NH3+] ZINC000904410964 663833032 /nfs/dbraw/zinc/83/30/32/663833032.db2.gz RXWDDUAXUDHJNX-GJZGRUSLSA-N 2 0 382.346 2.702 20 0 GFADRP C[C@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@@H]1C[NH3+] ZINC000904410966 663833291 /nfs/dbraw/zinc/83/32/91/663833291.db2.gz RXWDDUAXUDHJNX-LSDHHAIUSA-N 2 0 382.346 2.702 20 0 GFADRP Cn1nc(Br)cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904473372 663835303 /nfs/dbraw/zinc/83/53/03/663835303.db2.gz QEOIDCRQXFMJQT-WMLDXEAASA-N 2 0 377.286 2.528 20 0 GFADRP C[NH+](C)C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000913159160 664326784 /nfs/dbraw/zinc/32/67/84/664326784.db2.gz KEQYYYPHLDVYJV-FUHWJXTLSA-N 2 0 388.339 2.559 20 0 GFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000923376188 664629202 /nfs/dbraw/zinc/62/92/02/664629202.db2.gz VHTPNZLSZKLSMS-SQNIBIBYSA-N 2 0 383.330 2.701 20 0 GFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000923445006 664630586 /nfs/dbraw/zinc/63/05/86/664630586.db2.gz WREWUQBLXXRENG-KGLIPLIRSA-N 2 0 389.323 2.563 20 0 GFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H](O)COc1cc(Cl)ccc1Cl)CC2 ZINC000923438661 664630607 /nfs/dbraw/zinc/63/06/07/664630607.db2.gz BGMMESKQFRRRGS-HUUCEWRRSA-N 2 0 389.323 2.563 20 0 GFADRP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923456951 664630877 /nfs/dbraw/zinc/63/08/77/664630877.db2.gz SNFZKZOKDYQDJR-BBRMVZONSA-N 2 0 396.329 2.606 20 0 GFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1nc(Br)ccc1F ZINC000925043467 664665938 /nfs/dbraw/zinc/66/59/38/664665938.db2.gz YQNRINDRSSFSAY-CHWSQXEVSA-N 2 0 385.325 2.802 20 0 GFADRP